NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
655760 6vrj 30721 cing 1-original 1 XPLOR/CNS distance NOE simple


# Restraints file 1: IF3CT_nmrrestraints
!if3 C-terminal domain  N15-NOESY-HSQC assignment
!*********************************************************************************************

!A94
assign (resid   94 and name HN)(resid   93 and name HA    ) 0.0 0.0 2.8
assign (resid   94 and name HN)(resid   94 and name HB#    ) 0.0 1.5 4.5

!Q95
assign (resid   95 and name HN)(resid   94 and name HA    ) 0.0 0.0 2.8
assign (resid   95 and name HN)(resid   94 and name HB#    ) 0.0 1.5 5.0
assign (resid   95 and name HN)(resid   95 and name HB#    ) 0.0 1.0 4.0
assign (resid   95 and name HN)(resid   95 and name HG#    ) 0.0 1.0 4.0

!V96
assign (resid   96 and name HN)(resid   95 and name HA    ) 0.0 0.0 2.5
assign (resid   96 and name HN)(resid   95 and name HB#   ) 0.0 1.0 4.5
assign (resid   96 and name HN)(resid   96 and name HB    ) 0.0 0.0 2.5
assign (resid   96 and name HN)(resid   96 and name HG#   ) 0.0 3.0 6.5

!K97
assign (resid   97 and name HN)(resid   127 and name HA    ) 0.0 0.0 5.0
assign (resid   97 and name HN)(resid   96 and name HA    ) 0.0 0.0 2.5
assign (resid   97 and name HN)(resid   96 and name HB    ) 0.0 0.0 3.6
assign (resid   97 and name HN)(resid   126 and name HB#    ) 0.0 1.0 5.5
assign (resid   97 and name HN)(resid   126 and name HN    ) 0.0 0.0 5.0
assign (resid   97 and name HN)(resid   128 and name HN    ) 0.0 0.0 5.0
assign (resid   97 and name HN)(resid   97 and name HB#    ) 0.0 1.0 4.0
assign (resid   97 and name HN)(resid   96 and name HG1#    ) 0.0 1.5 4.5
assign (resid   97 and name HN)(resid   97 and name HG#    ) 0.0 1.0 5.5

!E98
assign (resid   98 and name HN)(resid   97 and name HA    ) 0.0 0.0 3.0
assign (resid   98 and name HN)(resid   98 and name HB#   ) 0.0 1.0 4.5
assign (resid   98 and name HN)(resid   97 and name HB#   ) 0.0 1.0 4.5
assign (resid   98 and name HN)(resid   99 and name HG1#    ) 0.0 1.0 5.0
assign (resid   98 and name HN)(resid   99 and name HD1#    ) 0.0 1.5 5.5

!I99
assign (resid   99 and name HN)(resid   99 and name HA    ) 0.0 0.0 3.0
assign (resid   99 and name HN)(resid   99 and name HB    ) 0.0 0.0 3.0
assign (resid   99 and name HN)(resid   99 and name HG1#   ) 0.0 1.0 5.0
assign (resid   99 and name HN)(resid   99 and name HD1#   ) 0.0 1.5 6.5

assign (resid   99 and name HN)(resid   130 and name HN    ) 0.0 0.0 4.0
assign (resid   99 and name HN)(resid   129 and name HA    ) 0.0 0.0 3.0

!K100
assign (resid   100 and name HN)(resid   99 and name HA    ) 0.0 0.0 3.0
assign (resid   100 and name HN)(resid   100 and name HB#    ) 0.0 1.0 4.0
assign (resid   100 and name HN)(resid   99 and name HG2#    ) 0.0 1.5 4.5
assign (resid   100 and name HN)(resid   99 and name HD1#    ) 0.0 1.5 6.0
assign (resid   100 and name HN)(resid   100 and name HG#    ) 0.0 1.0 5.0

!F101
assign (resid   101 and name HN)(resid   102 and name HN    ) 0.0 0.0 5.0
assign (resid   101 and name HN)(resid   100 and name HA    ) 0.0 0.0 2.8
assign (resid   101 and name HN)(resid   131 and name HA    ) 0.0 0.0 3.0
assign (resid   101 and name HN)(resid   101 and name HD#    ) 0.0 2.0 5.0
assign (resid   101 and name HN)(resid   101 and name HB#    ) 0.0 1.0 4.0
assign (resid   101 and name HN)(resid   99 and name HG2#    ) 0.0 1.5 6.5
assign (resid   101 and name HN)(resid   100 and name HB#    ) 0.0 1.0 4.0
assign (resid   101 and name HN)(resid   131 and name HG    ) 0.0 0.0 4.0

!R102
assign (resid   102 and name HN)(resid   101 and name HA    ) 0.0 0.0 2.8
assign (resid   102 and name HN)(resid   101 and name HB#    ) 0.0 1.0 5.5
assign (resid   102 and name HN)(resid   102 and name HB#    ) 0.0 1.0 4.5
!assign (resid   102 and name HN)(resid   99 and name HG2#    ) 0.0 1.5 6.5
assign (resid   102 and name HN)(resid   102 and name HG#    ) 0.0 1.0 5.5

!G104
assign (resid   104 and name HN)(resid   103 and name HA  ) 0.0 0.0 4.5
assign (resid   104 and name HN)(resid   104 and name HA#  ) 0.0 1.0 4.0

!T105
assign (resid   105 and name HN)(resid   105 and name HB    ) 0.0 0.0 2.8
assign (resid   105 and name HN)(resid   103 and name HA    ) 0.0 0.0 3.5
assign (resid   105 and name HN)(resid   104 and name HA#    ) 0.0 1.0 4.0
assign (resid   105 and name HN)(resid   105 and name HG2#    ) 0.0 1.5 6.0

!E106
assign (resid   106 and name HN)(resid   105 and name HA    ) 0.0 0.0 2.8
assign (resid   106 and name HN)(resid   105 and name HG2#    ) 0.0 1.5 5.0
assign (resid   106 and name HN)(resid   106 and name HB#    ) 0.0 1.0 4.5
assign (resid   106 and name HN)(resid   109 and name HB#    ) 0.0 1.0 6.0

!E107
assign (resid   107 and name HN)(resid   106 and name HA    ) 0.0 0.0 2.8
assign (resid   107 and name HN)(resid   107 and name HB#    ) 0.0 1.0 4.0
assign (resid   107 and name HN)(resid   106 and name HG#    ) 0.0 1.0 5.0
assign (resid   107 and name HN)(resid   107 and name HG#    ) 0.0 1.0 5.0

!G108
assign (resid   108 and name HN)(resid   109 and name HN  ) 0.0 0.0 3.5
assign (resid   108 and name HN)(resid   107 and name HN  ) 0.0 0.0 4.0
assign (resid   108 and name HN)(resid   108 and name HA# ) 0.0 1.0 3.8
assign (resid   108 and name HN)(resid   107 and name HA  ) 0.0 0.0 5.0
assign (resid   108 and name HN)(resid   107 and name HB# ) 0.0 1.0 5.0
assign (resid   108 and name HN)(resid   107 and name HG# ) 0.0 1.0 5.5

!D109
assign (resid   109 and name HN)(resid   108 and name HA#    ) 0.0 1.0 4.5
assign (resid   109 and name HN)(resid   106 and name HB#    ) 0.0 1.0 5.5
assign (resid   109 and name HN)(resid   107 and name HB#    ) 0.0 1.0 5.5
assign (resid   109 and name HN)(resid   110 and name HN     ) 0.0 0.0 4.5
assign (resid   109 and name HN)(resid   108 and name HN     ) 0.0 0.0 3.6

!Y110
assign (resid   110 and name HN)(resid   110 and name HD#    ) 0.0 2.0 5.5 !!intra
assign (resid   110 and name HN)(resid   109 and name HN    ) 0.0 0.0 4.5
assign (resid   110 and name HN)(resid   107 and name HA    ) 0.0 0.0 4.5
assign (resid   110 and name HN)(resid   110 and name HB#   ) 0.0 1.0 4.5 !!intra
assign (resid   110 and name HN)(resid   111 and name HB#    ) 0.0 1.0 6.0
assign (resid   110 and name HN)(resid   108 and name HA#    ) 0.0 1.0 5.0
assign (resid   110 and name HN)(resid   109 and name HB#    ) 0.0 1.0 4.0
assign (resid   110 and name HN)(resid   105 and name HG2#    ) 0.0 1.5 6.0

!Q111
assign (resid   111 and name HN)(resid   112 and name HN    ) 0.0 0.0 4.0
assign (resid   111 and name HN)(resid   110 and name HN    ) 0.0 0.0 4.5
assign (resid   111 and name HN)(resid   108 and name HA#    ) 0.0 1.0 5.0
assign (resid   111 and name HN)(resid   107 and name HA    ) 0.0 0.0 4.6
assign (resid   111 and name HN)(resid   110 and name HD#    ) 0.0 2.0 6.5
assign (resid   111 and name HN)(resid   110 and name HB#    ) 0.0 1.0 5.0
assign (resid   111 and name HN)(resid   111 and name HG#    ) 0.0 1.0 4.5 !!intra
assign (resid   111 and name HN)(resid   111 and name HB#    ) 0.0 1.0 4.5 !!intra
assign (resid   111 and name HN)(resid   105 and name HG2#    ) 0.0 1.5 5.5

!V112
assign (resid   112 and name HN)(resid   113 and name HN    ) 0.0 0.0 4.5
assign (resid   112 and name HN)(resid   109 and name HA    ) 0.0 0.0 5.0
assign (resid   112 and name HN)(resid   111 and name HA    ) 0.0 0.0 5.0
assign (resid   112 and name HN)(resid   109 and name HB#    ) 0.0 1.0 6.0
assign (resid   112 and name HN)(resid   111 and name HB#    ) 0.0 1.0 3.8
assign (resid   112 and name HN)(resid   112 and name HB    ) 0.0 0.0 3.8 !!intra
assign (resid   112 and name HN)(resid   112 and name HG2#    ) 0.0 1.5 5.0 !!intra
assign (resid   112 and name HN)(resid   112 and name HG1#    ) 0.0 1.5 6.5 !!intra

!K113
assign (resid   113 and name HN)(resid   114 and name HN    ) 0.0 0.0 4.5
assign (resid   113 and name HN)(resid   109 and name HB#    ) 0.0 1.0 5.5
assign (resid   113 and name HN)(resid   111 and name HA    ) 0.0 0.0 4.5
assign (resid   113 and name HN)(resid   111 and name HB#    ) 0.0 1.0 5.5
assign (resid   113 and name HN)(resid   113 and name HB#    ) 0.0 1.0 4.5 !!intra
assign (resid   113 and name HN)(resid   113 and name HG#    ) 0.0 1.0 5.5 !!intra
assign (resid   113 and name HN)(resid   112 and name HB    ) 0.0 0.0 4.0
assign (resid   113 and name HN)(resid   112 and name HG#    ) 0.0 3.0 7.5

!L114
assign (resid   114 and name HN)(resid   114 and name HB#    ) 0.0 1.0 4.5 !!intra
assign (resid   114 and name HN)(resid   114 and name HG    ) 0.0 0.0 4.0 !!intra
assign (resid   114 and name HN)(resid   114 and name HD#    ) 0.0 3.0 7.5 !!intra
assign (resid   114 and name HN)(resid   113 and name HB#    ) 0.0 1.0 5.0
assign (resid   114 and name HN)(resid   111 and name HA    ) 0.0 0.0 4.0
!assign (resid   114 and name HN)(resid   115 and name HG#    ) 0.0 1.0 6.0

!R115
assign (resid   115 and name HN)(resid   114 and name HN    ) 0.0 0.0 4.5
assign (resid   115 and name HN)(resid   116 and name HN    ) 0.0 0.0 4.5
assign (resid   115 and name HN)(resid   114 and name HB#    ) 0.0 0.0 4.5
assign (resid   115 and name HN)(resid   112 and name HA    ) 0.0 0.0 4.5
assign (resid   115 and name HN)(resid   112 and name HA    ) 0.0 0.0 4.5
assign (resid   115 and name HN)(resid   114 and name HD2#  ) 0.0 1.5 6.0
assign (resid   115 and name HN)(resid   115 and name HB#    ) 0.0 1.0 4.5 !!intra
assign (resid   115 and name HN)(resid   115 and name HG#    ) 0.0 1.0 4.5 !!intra

!N116
assign (resid   116 and name HN)(resid   117 and name HN   ) 0.0 0.0 3.0
assign (resid   116 and name HN)(resid   113 and name HA    ) 0.0 0.0 3.5
assign (resid   116 and name HN)(resid   112 and name HB   ) 0.0 0.0 5.0
assign (resid   116 and name HN)(resid   112 and name HG1#  ) 0.0 1.5 6.0
assign (resid   116 and name HN)(resid   115 and name HB#   ) 0.0 1.0 5.0
assign (resid   116 and name HN)(resid   116 and name HB#   ) 0.0 1.0 4.0 !!intra
assign (resid   116 and name HN)(resid   116 and name HA   ) 0.0 0.0 3.0 !!intra

!L117
assign (resid   117 and name HN)(resid   117 and name HG    ) 0.0 0.0 3.5
assign (resid   117 and name HN)(resid   117 and name HB#    ) 0.0 1.0 4.0
assign (resid   117 and name HN)(resid   117 and name HA    ) 0.0 0.0 3.0
assign (resid   117 and name HN)(resid   117 and name HD#    ) 0.0 3.0 7.5

assign (resid   117 and name HN)(resid   114 and name HA    ) 0.0 0.0 4.5
assign (resid   117 and name HN)(resid   113 and name HA    ) 0.0 0.0 4.0
assign (resid   117 and name HN)(resid   116 and name HB#    ) 0.0 1.0 4.5
assign (resid   117 and name HN)(resid   118 and name HB    ) 0.0 0.0 5.0
assign (resid   117 and name HN)(resid   99 and name HG1#    ) 0.0 1.0 4.0
assign (resid   117 and name HN)(resid   99 and name HD1#    ) 0.0 1.5 6.5
assign (resid   117 and name HN)(resid   99 and name HG2#    ) 0.0 1.5 6.5

!V118
assign (resid   118 and name HN)(resid   118 and name HB    ) 0.0 0.0 3.0
assign (resid   118 and name HN)(resid   118 and name HG#    ) 0.0 2.0 6.0

assign (resid   118 and name HN)(resid   117 and name HN    ) 0.0 0.0 5.0
assign (resid   118 and name HN)(resid   116 and name HN    ) 0.0 0.0 4.5
assign (resid   118 and name HN)(resid   115 and name HA    ) 0.0 0.0 4.0
assign (resid   118 and name HN)(resid   116 and name HA    ) 0.0 0.0 4.5
assign (resid   118 and name HN)(resid   114 and name HB#    ) 0.0 1.0 5.5
assign (resid   118 and name HN)(resid   117 and name HB#    ) 0.0 1.0 6.0
assign (resid   118 and name HN)(resid   117 and name HD1#    ) 0.0 1.5 6.5

!R119
assign (resid   119 and name HN)(resid   119 and name HA    ) 0.0 0.0 3.0
assign (resid   119 and name HN)(resid   119 and name HB#    ) 0.0 1.0 4.0
assign (resid   119 and name HN)(resid   119 and name HG#    ) 0.0 1.0 5.5

assign (resid   119 and name HN)(resid   116 and name HA    ) 0.0 0.0 4.5
assign (resid   119 and name HN)(resid   118 and name HB    ) 0.0 0.0 4.0
assign (resid   119 and name HN)(resid   118 and name HG1#    ) 0.0 1.5 5.5
assign (resid   119 and name HN)(resid   120 and name HN    ) 0.0 0.0 3.5
assign (resid   119 and name HN)(resid   118 and name HN    ) 0.0 0.0 3.5

!F120
assign (resid   120 and name HN)(resid   120 and name HA    ) 0.0 0.0 3.0
assign (resid   120 and name HN)(resid   120 and name HB#    ) 0.0 1.0 4.0
assign (resid   120 and name HN)(resid   120 and name HD#    ) 0.0 2.0 6.5

assign (resid   120 and name HN)(resid   118 and name HN    ) 0.0 0.0 5.0
assign (resid   120 and name HN)(resid   117 and name HA    ) 0.0 0.0 4.5
assign (resid   120 and name HN)(resid   116 and name HA    ) 0.0 0.0 4.5
assign (resid   120 and name HN)(resid   119 and name HB#    ) 0.0 1.0 4.5
assign (resid   120 and name HN)(resid   117 and name HD#    ) 0.0 3.0 8.0
assign (resid   120 and name HN)(resid   121 and name HG    ) 0.0 0.0 4.5

!L121
assign (resid   121 and name HN)(resid   121 and name HA    ) 0.0 0.0 3.0
assign (resid   121 and name HN)(resid   121 and name HB#    ) 0.0 1.0 4.0
assign (resid   121 and name HN)(resid   121 and name HG    ) 0.0 0.0 3.0
assign (resid   121 and name HN)(resid   121 and name HD#    ) 0.0 3.0 7.5

assign (resid   121 and name HN)(resid   120 and name HN    ) 0.0 0.0 4.0
assign (resid   121 and name HN)(resid   122 and name HN    ) 0.0 0.0 4.0
assign (resid   121 and name HN)(resid   120 and name HB#    ) 0.0 1.0 4.0

!S122
assign (resid   122 and name HN)(resid   122 and name HA    ) 0.0 0.0 2.8
assign (resid   122 and name HN)(resid   122 and name HB#    ) 0.0 1.0 4.0

assign (resid   122 and name HN)(resid   123 and name HN    ) 0.0 0.0 3.5
assign (resid   122 and name HN)(resid   121 and name HB#    ) 0.0 1.0 4.5
assign (resid   122 and name HN)(resid   119 and name HA    ) 0.0 0.0 4.5
assign (resid   122 and name HN)(resid   121 and name HD1#    ) 0.0 1.5 6.5

!E123
assign (resid   123 and name HN)(resid   123 and name HA    ) 0.0 0.0 2.8
assign (resid   123 and name HN)(resid   123 and name HB#    ) 0.0 1.0 4.0
assign (resid   123 and name HN)(resid   123 and name HG#    ) 0.0 1.0 4.5

assign (resid   123 and name HN)(resid   124 and name HN    ) 0.0 0.0 4.5
assign (resid   123 and name HN)(resid   125 and name HB#    ) 0.0 1.0 6.5

!G124
assign (resid   124 and name HN)(resid   124 and name HA#    ) 0.0 1.0 3.8

assign (resid   124 and name HN)(resid   123 and name HB#    ) 0.0 1.0 5.0

!D125
assign (resid   125 and name HN)(resid   125 and name HA    ) 0.0 0.0 3.0
assign (resid   125 and name HN)(resid   125 and name HB#    ) 0.0 1.0 4.0

assign (resid   125 and name HN)(resid   124 and name HA#    ) 0.0 1.0 5.0

!K126
assign (resid   126 and name HN)(resid   126 and name HA   ) 0.0 0.0 3.0
assign (resid   126 and name HN)(resid   126 and name HB#   ) 0.0 1.0 4.5
assign (resid   126 and name HN)(resid   126 and name HG#   ) 0.0 1.0 5.5

assign (resid   126 and name HN)(resid   125 and name HA   ) 0.0 0.0 3.0
assign (resid   126 and name HN)(resid   125 and name HB#   ) 0.0 1.0 5.5
assign (resid   126 and name HN)(resid   96 and name HG1#   ) 0.0 1.5 6.5
assign (resid   126 and name HN)(resid   96 and name HG2#   ) 0.0 1.5 6.5

!A127
assign (resid   127 and name HN)(resid   127 and name HA    ) 0.0 0.0 3.0
assign (resid   127 and name HN)(resid   127 and name HB#    ) 0.0 1.5 4.5

assign (resid   127 and name HN)(resid   177 and name HA    ) 0.0 0.0 4.5
assign (resid   127 and name HN)(resid   126 and name HA    ) 0.0 0.0 4.5
!assign (resid   127 and name HN)(resid   178 and name HA    ) 0.0 0.0 5.0
assign (resid   127 and name HN)(resid   126 and name HB#    ) 0.0 1.0 4.5
assign (resid   127 and name HN)(resid   175 and name HG1#    ) 0.0 1.5 6.5
!assign (resid   127 and name HN)(resid   175 and name HG2#    ) 0.0 1.5 6.5
assign (resid   127 and name HN)(resid   176 and name HB    ) 0.0 0.0 4.5

!K128
assign (resid   128 and name HN)(resid   128 and name HA    ) 0.0 0.0 3.0
assign (resid   128 and name HN)(resid   128 and name HB#    ) 0.0 1.0 4.0
assign (resid   128 and name HN)(resid   128 and name HD#    ) 0.0 1.0 5.0

assign (resid   128 and name HN)(resid   127 and name HN    ) 0.0 0.0 5.0
!assign (resid   128 and name HN)(resid   97 and name HN    ) 0.0 0.0 5.0 !repeat
assign (resid   128 and name HN)(resid   99 and name HN    ) 0.0 0.0 5.0
assign (resid   128 and name HN)(resid   98 and name HA    ) 0.0 0.0 4.0
assign (resid   128 and name HN)(resid   127 and name HA    ) 0.0 0.0 3.5
assign (resid   128 and name HN)(resid   127 and name HB#    ) 0.0 1.5 5.0
assign (resid   128 and name HN)(resid   117 and name HD#    ) 0.0 3.0 8.0

!V129
assign (resid   129 and name HN)(resid   129 and name HA    ) 0.0 0.0 3.0
assign (resid   129 and name HN)(resid   129 and name HB    ) 0.0 0.0 3.0
assign (resid   129 and name HN)(resid   129 and name HG#    ) 0.0 3.0 7.5

assign (resid   129 and name HN)(resid   174 and name HN    ) 0.0 0.0 4.5
assign (resid   129 and name HN)(resid   176 and name HN    ) 0.0 0.0 5.0
assign (resid   129 and name HN)(resid   175 and name HA    ) 0.0 0.0 4.5
assign (resid   129 and name HN)(resid   130 and name HA    ) 0.0 0.0 5.0
assign (resid   129 and name HN)(resid   128 and name HA    ) 0.0 0.0 2.8
assign (resid   129 and name HN)(resid   174 and name HB#    ) 0.0 1.0 6.0
assign (resid   129 and name HN)(resid   128 and name HD#    ) 0.0 1.0 6.0
assign (resid   129 and name HN)(resid   128 and name HG#    ) 0.0 1.0 6.0
assign (resid   129 and name HN)(resid   175 and name HG2#    ) 0.0 1.5 6.5

!S130
assign (resid   130 and name HN)(resid   130 and name HA    ) 0.0 0.0 3.0
assign (resid   130 and name HN)(resid   130 and name HB#    ) 0.0 1.0 4.0

assign (resid   130 and name HN)(resid   129 and name HA    ) 0.0 0.0 2.8
assign (resid   130 and name HN)(resid   100 and name HA    ) 0.0 0.0 4.0
!assign (resid   130 and name HN)(resid   99 and name HN   ) 0.0 0.0 4.5 !repeat
assign (resid   130 and name HN)(resid   129 and name HG#    ) 0.0 3.0 8.0
assign (resid   130 and name HN)(resid   100 and name HB#    ) 0.0 1.0 6.0

!L131
assign (resid   131 and name HN)(resid   131 and name HA    ) 0.0 0.0 3.0
assign (resid   131 and name HN)(resid   131 and name HB#    ) 0.0 1.0 4.0
assign (resid   131 and name HN)(resid   131 and name HG    ) 0.0 0.0 4.5
assign (resid   131 and name HN)(resid   131 and name HD#    ) 0.0 3.0 8.0

assign (resid   131 and name HN)(resid   172 and name HN    ) 0.0 0.0 4.0
assign (resid   131 and name HN)(resid   174 and name HN    ) 0.0 0.0 5.0
assign (resid   131 and name HN)(resid   130 and name HA    ) 0.0 0.0 2.8
assign (resid   131 and name HN)(resid   173 and name HA    ) 0.0 0.0 4.5
assign (resid   131 and name HN)(resid   130 and name HB#    ) 0.0 1.0 4.5
assign (resid   131 and name HN)(resid   148 and name HD#    ) 0.0 3.0 8.0

!R132
assign (resid   132 and name HN)(resid   132 and name HA    ) 0.0 0.0 3.0
assign (resid   132 and name HN)(resid   132 and name HB#    ) 0.0 1.0 4.0

assign (resid   132 and name HN)(resid   131 and name HA    ) 0.0 0.0 2.8
assign (resid   132 and name HN)(resid   131 and name HB#    ) 0.0 1.0 4.0
assign (resid   132 and name HN)(resid   131 and name HD2#    ) 0.0 1.5 6.5
assign (resid   132 and name HN)(resid   131 and name HG    ) 0.0 0.0 4.5

!F133
assign (resid   133 and name HN)(resid   133 and name HA    ) 0.0 0.0 3.0
assign (resid   133 and name HN)(resid   133 and name HB#    ) 0.0 1.0 4.0
assign (resid   133 and name HN)(resid   133 and name HD#    ) 0.0 2.0 6.5

assign (resid   133 and name HN)(resid   132 and name HA    ) 0.0 0.0 2.8
assign (resid   133 and name HN)(resid   171 and name HA    ) 0.0 0.0 5.0

!R134
assign (resid   134 and name HN)(resid   134 and name HB#    ) 0.0 1.0 4.5
assign (resid   134 and name HN)(resid   134 and name HG#    ) 0.0 1.0 5.0

assign (resid   134 and name HN)(resid   133 and name HA    ) 0.0 0.0 3.0
assign (resid   134 and name HN)(resid   133 and name HB#    ) 0.0 1.0 5.5

!E137
assign (resid   137 and name HN)(resid   137 and name HA    ) 0.0 0.0 3.0
assign (resid   137 and name HN)(resid   137 and name HB#    ) 0.0 1.0 4.0
assign (resid   137 and name HN)(resid   137 and name HG#    ) 0.0 1.0 4.5

assign (resid   137 and name HN)(resid   139 and name HN    ) 0.0 0.0 5.0
assign (resid   137 and name HN)(resid   136 and name HA    ) 0.0 0.0 3.5
assign (resid   137 and name HN)(resid   136 and name HB#    ) 0.0 1.0 5.5

!M138
assign (resid   138 and name HN)(resid   138 and name HA    ) 0.0 0.0 3.0
assign (resid   138 and name HN)(resid   138 and name HB#    ) 0.0 1.0 4.0
assign (resid   138 and name HN)(resid   138 and name HG#    ) 0.0 1.0 4.5

assign (resid   138 and name HN)(resid   137 and name HN    ) 0.0 0.0 5.0
assign (resid   138 and name HN)(resid   137 and name HA    ) 0.0 0.0 3.5

!A139
assign (resid   139 and name HN)(resid   139 and name HA    ) 0.0 0.0 3.0
assign (resid   139 and name HN)(resid   139 and name HB#    ) 0.0 1.5 5.5

assign (resid   139 and name HN)(resid   138 and name HB#    ) 0.0 1.0 5.0
assign (resid   139 and name HN)(resid   138 and name HA    ) 0.0 0.0 4.5

!H140
assign (resid   140 and name HN)(resid   140 and name HA    ) 0.0 0.0 3.0
assign (resid   140 and name HN)(resid   140 and name HB#    ) 0.0 1.0 4.5

assign (resid   140 and name HN)(resid   139 and name HA    ) 0.0 0.0 4.5
assign (resid   140 and name HN)(resid   139 and name HB#    ) 0.0 1.5 6.0

!Q141
assign (resid   141 and name HN)(resid   141 and name HA    ) 0.0 0.0 3.0
assign (resid   141 and name HN)(resid   141 and name HB#    ) 0.0 1.0 4.5

assign (resid   141 and name HN)(resid   142 and name HN    ) 0.0 0.0 4.0

!E142
assign (resid   142 and name HN)(resid   142 and name HA    ) 0.0 0.0 3.0
assign (resid   142 and name HN)(resid   142 and name HB#    ) 0.0 1.0 4.5
assign (resid   142 and name HN)(resid   142 and name HG#    ) 0.0 1.0 5.5

!assign (resid   142 and name HN)(resid   141 and name HN    ) 0.0 0.0 4.5 !repeat
assign (resid   142 and name HN)(resid   143 and name HN    ) 0.0 0.0 4.5
assign (resid   142 and name HN)(resid   139 and name HA    ) 0.0 0.0 4.5

!L143
assign (resid   143 and name HN)(resid   143 and name HA    ) 0.0 0.0 3.0
assign (resid   143 and name HN)(resid   143 and name HB#    ) 0.0 1.0 4.5
assign (resid   143 and name HN)(resid   143 and name HG    ) 0.0 0.0 4.5
assign (resid   143 and name HN)(resid   143 and name HD#    ) 0.0 3.0 7.5

assign (resid   143 and name HN)(resid   144 and name HN    ) 0.0 0.0 4.5
assign (resid   143 and name HN)(resid   142 and name HG#    ) 0.0 1.0 6.0
assign (resid   143 and name HN)(resid   142 and name HB#    ) 0.0 1.0 3.5
assign (resid   143 and name HN)(resid   133 and name HE#    ) 0.0 2.0 7.0

!G144
assign (resid   144 and name HN)(resid   144 and name HA#    ) 0.0 1.0 4.0

assign (resid   144 and name HN)(resid   145 and name HN  ) 0.0 0.0 4.0
!assign (resid   144 and name HN)(resid   143 and name HN  ) 0.0 0.0 4.0! repeat
assign (resid   144 and name HN)(resid   133 and name HE#  ) 0.0 2.0 6.0
assign (resid   144 and name HN)(resid   143 and name HA  ) 0.0 0.0 4.5
assign (resid   144 and name HN)(resid   141 and name HA  ) 0.0 0.0 4.5
assign (resid   144 and name HN)(resid   143 and name HB#  ) 0.0 1.0 5.5
assign (resid   144 and name HN)(resid   103 and name HB#  ) 0.0 1.0 5.5
assign (resid   144 and name HN)(resid   143 and name HD1#  ) 0.0 1.5 6.5

!M145
assign (resid   145 and name HN)(resid   145 and name HA    ) 0.0 0.0 3.0
assign (resid   145 and name HN)(resid   145 and name HB#    ) 0.0 1.0 4.5
assign (resid   145 and name HN)(resid   145 and name HG#    ) 0.0 1.0 5.5
assign (resid   145 and name HN)(resid   145 and name HE#    ) 0.0 1.5 6.5

assign (resid   145 and name HN)(resid   147 and name HN    ) 0.0 0.0 5.0
assign (resid   145 and name HN)(resid   146 and name HA    ) 0.0 0.0 5.0
assign (resid   145 and name HN)(resid   144 and name HA#    ) 0.0 1.0 5.0
assign (resid   145 and name HN)(resid   142 and name HA    ) 0.0 0.0 4.5
assign (resid   145 and name HN)(resid   143 and name HB#    ) 0.0 1.0 5.5
!assign (resid   145 and name HN)(resid   143 and name HD1#    ) 0.0 1.5 7.0

!E146
assign (resid   146 and name HN)(resid   146 and name HA    ) 0.0 0.0 3.0
assign (resid   146 and name HN)(resid   146 and name HB#    ) 0.0 1.0 4.5
assign (resid   146 and name HN)(resid   146 and name HG#    ) 0.0 1.0 5.5

assign (resid   146 and name HN)(resid   145 and name HN    ) 0.0 0.0 3.0
assign (resid   146 and name HN)(resid   143 and name HA    ) 0.0 0.0 4.0
assign (resid   146 and name HN)(resid   142 and name HA    ) 0.0 0.0 4.0
assign (resid   146 and name HN)(resid   145 and name HB#    ) 0.0 1.0 4.5

!L147
assign (resid   147 and name HN)(resid   147 and name HA    ) 0.0 0.0 3.0
assign (resid   147 and name HN)(resid   147 and name HB#    ) 0.0 1.0 4.0
assign (resid   147 and name HN)(resid   147 and name HG    ) 0.0 0.0 4.5
assign (resid   147 and name HN)(resid   147 and name HD#    ) 0.0 3.0 8.0

assign (resid   147 and name HN)(resid   144 and name HA#    ) 0.0 1.0 5.5
assign (resid   147 and name HN)(resid   143 and name HA    ) 0.0 0.0 4.5
assign (resid   147 and name HN)(resid   146 and name HA    ) 0.0 0.0 4.0
assign (resid   147 and name HN)(resid   146 and name HB#    ) 0.0 1.0 4.5
assign (resid   147 and name HN)(resid   148 and name HB#    ) 0.0 1.0 5.5
assign (resid   147 and name HN)(resid   148 and name HN    ) 0.0 0.0 3.5
assign (resid   147 and name HN)(resid   146 and name HN    ) 0.0 0.0 3.5

!L148
assign (resid   148 and name HN)(resid   148 and name HA    ) 0.0 0.0 3.0
assign (resid   148 and name HN)(resid   148 and name HB#    ) 0.0 1.0 4.0
assign (resid   148 and name HN)(resid   148 and name HG    ) 0.0 0.0 4.5
assign (resid   148 and name HN)(resid   148 and name HD#    ) 0.0 3.0 8.0

assign (resid   148 and name HN)(resid   149 and name HN    ) 0.0 0.0 4.5
assign (resid   148 and name HN)(resid   144 and name HA#    ) 0.0 1.0 6.0
assign (resid   148 and name HN)(resid   145 and name HA    ) 0.0 0.0 4.5
assign (resid   148 and name HN)(resid   147 and name HA    ) 0.0 0.0 4.5
assign (resid   148 and name HN)(resid   146 and name HB#    ) 0.0 1.0 6.0
assign (resid   148 and name HN)(resid   147 and name HB#    ) 0.0 1.0 3.5
assign (resid   148 and name HN)(resid   147 and name HG    ) 0.0 0.0 5.0
assign (resid   148 and name HN)(resid   131 and name HD1#    ) 0.0 1.5 6.5

!K149
assign (resid   149 and name HN)(resid   149 and name HA    ) 0.0 0.0 3.0
assign (resid   149 and name HN)(resid   149 and name HB#    ) 0.0 1.0 4.5
assign (resid   149 and name HN)(resid   149 and name HG#    ) 0.0 1.0 4.5
assign (resid   149 and name HN)(resid   149 and name HD#    ) 0.0 1.0 5.0

assign (resid   149 and name HN)(resid   150 and name HN    ) 0.0 0.0 3.5
assign (resid   149 and name HN)(resid   146 and name HA    ) 0.0 0.0 5.0
assign (resid   149 and name HN)(resid   145 and name HA    ) 0.0 0.0 5.0
assign (resid   149 and name HN)(resid   148 and name HB#    ) 0.0 1.0 5.0

!R150
assign (resid   150 and name HN)(resid   150 and name HA    ) 0.0 0.0 3.0
assign (resid   150 and name HN)(resid   150 and name HB#    ) 0.0 1.0 4.5
assign (resid   150 and name HN)(resid   150 and name HG#    ) 0.0 1.0 4.5

assign (resid   150 and name HN)(resid   151 and name HN    ) 0.0 0.0 3.0
assign (resid   150 and name HN)(resid   147 and name HA    ) 0.0 0.0 4.5
assign (resid   150 and name HN)(resid   146 and name HA    ) 0.0 0.0 4.5
assign (resid   150 and name HN)(resid   149 and name HB#    ) 0.0 1.0 5.0
assign (resid   150 and name HN)(resid   151 and name HG2#    ) 0.0 1.5 6.5

!V151
assign (resid   151 and name HN)(resid   151 and name HA    ) 0.0 0.0 3.0
assign (resid   151 and name HN)(resid   151 and name HB    ) 0.0 0.0 3.5
assign (resid   151 and name HN)(resid   151 and name HG#    ) 0.0 3.0 8.0

assign (resid   151 and name HN)(resid   148 and name HA    ) 0.0 0.0 5.0
assign (resid   151 and name HN)(resid   148 and name HA    ) 0.0 0.0 3.5
assign (resid   151 and name HN)(resid   150 and name HB#    ) 0.0 1.0 4.5

!E152
assign (resid   152 and name HN)(resid   152 and name HA    ) 0.0 0.0 3.0
assign (resid   152 and name HN)(resid   152 and name HB#    ) 0.0 1.0 4.5
assign (resid   152 and name HN)(resid   152 and name HG#    ) 0.0 1.0 5.0

assign (resid   152 and name HN)(resid   151 and name HN    ) 0.0 0.0 3.3
assign (resid   152 and name HN)(resid   153 and name HN    ) 0.0 0.0 3.3
assign (resid   152 and name HN)(resid   149 and name HA    ) 0.0 0.0 4.0
assign (resid   152 and name HN)(resid   151 and name HB    ) 0.0 0.0 3.5
assign (resid   152 and name HN)(resid   150 and name HB#  ) 0.0 1.0 6.0
assign (resid   152 and name HN)(resid   153 and name HB#   ) 0.0 1.5 6.5
assign (resid   152 and name HN)(resid   151 and name HG1#  ) 0.0 1.5 6.5

!A153
assign (resid   153 and name HN)(resid   153 and name HA    ) 0.0 0.0 3.0
assign (resid   153 and name HN)(resid   153 and name HB#    ) 0.0 1.5 4.5

assign (resid   153 and name HN)(resid   154 and name HN    ) 0.0 0.0 4.5
assign (resid   153 and name HN)(resid   150 and name HA    ) 0.0 0.0 3.5
assign (resid   153 and name HN)(resid   152 and name HA    ) 0.0 0.0 5.0
assign (resid   153 and name HN)(resid   152 and name HB#    ) 0.0 1.0 4.0
assign (resid   153 and name HN)(resid   151 and name HB    ) 0.0 0.0 5.0
assign (resid   153 and name HN)(resid   151 and name HG2#    ) 0.0 1.5 6.5

!D154
assign (resid   154 and name HN)(resid   154 and name HA    ) 0.0 0.0 3.0
assign (resid   154 and name HN)(resid   154 and name HB#    ) 0.0 1.0 4.0

assign (resid   154 and name HN)(resid   153 and name HA    ) 0.0 0.0 5.0
assign (resid   154 and name HN)(resid   151 and name HA    ) 0.0 0.0 3.8
assign (resid   154 and name HN)(resid   152 and name HB#    ) 0.0 1.0 5.5
assign (resid   154 and name HN)(resid   153 and name HB#    ) 0.0 1.5 4.5
assign (resid   154 and name HN)(resid   151 and name HG2#    ) 0.0 1.5 6.5

!L155
assign (resid   155 and name HN)(resid   155 and name HA    ) 0.0 0.0 3.0
assign (resid   155 and name HN)(resid   155 and name HB#    ) 0.0 1.0 4.5
assign (resid   155 and name HN)(resid   155 and name HG    ) 0.0 0.0 3.0
assign (resid   155 and name HN)(resid   155 and name HD#    ) 0.0 3.0 7.5

assign (resid   155 and name HN)(resid   154 and name HN    ) 0.0 0.0 3.5
assign (resid   155 and name HN)(resid   156 and name HN    ) 0.0 0.0 3.5
assign (resid   155 and name HN)(resid   153 and name HA    ) 0.0 0.0 3.5
assign (resid   155 and name HN)(resid   152 and name HA    ) 0.0 0.0 4.5
!assign (resid   155 and name HN)(resid   152 and name HB#    ) 0.0 1.0 5.5
assign (resid   155 and name HN)(resid   156 and name HG#    ) 0.0 3.0 7.5

!V156
assign (resid   156 and name HN)(resid   156 and name HA    ) 0.0 0.0 3.0
assign (resid   156 and name HN)(resid   156 and name HB#    ) 0.0 1.0 4.5
assign (resid   156 and name HN)(resid   156 and name HG#    ) 0.0 3.0 7.0

assign (resid   156 and name HN)(resid   157 and name HN    ) 0.0 0.0 4.0
assign (resid   156 and name HN)(resid   155 and name HA    ) 0.0 0.0 3.5
assign (resid   156 and name HN)(resid   153 and name HA    ) 0.0 0.0 4.0
assign (resid   156 and name HN)(resid   155 and name HB#    ) 0.0 1.0 5.0

!E157
assign (resid   157 and name HN)(resid   157 and name HA    ) 0.0 0.0 3.0
assign (resid   157 and name HN)(resid   157 and name HB#    ) 0.0 1.0 4.0
assign (resid   157 and name HN)(resid   157 and name HG#    ) 0.0 1.0 4.5

assign (resid   157 and name HN)(resid   158 and name HN    ) 0.0 0.0 4.5
assign (resid   157 and name HN)(resid   158 and name HD#    ) 0.0 2.0 6.5
assign (resid   157 and name HN)(resid   155 and name HA    ) 0.0 0.0 5.0
assign (resid   157 and name HN)(resid   156 and name HB    ) 0.0 0.0 4.5
assign (resid   157 and name HN)(resid   156 and name HG1#    ) 0.0 1.5 5.0

!Y158
assign (resid   158 and name HN)(resid   158 and name HA    ) 0.0 0.0 3.0
assign (resid   158 and name HN)(resid   158 and name HB#    ) 0.0 1.0 4.0
assign (resid   158 and name HN)(resid   158 and name HD#    ) 0.0 2.0 5.5

assign (resid   158 and name HN)(resid   159 and name HN    ) 0.0 0.0 2.5
!assign (resid   158 and name HN)(resid   160 and name HA    ) 0.0 0.0 5.0
assign (resid   158 and name HN)(resid   157 and name HA    ) 0.0 0.0 5.0
assign (resid   158 and name HN)(resid   157 and name HB#    ) 0.0 1.0 6.0
assign (resid   158 and name HN)(resid   155 and name HD1#   ) 0.0 1.5 6.5

!G159
assign (resid   159 and name HN)(resid   160 and name HA  ) 0.0 0.0 5.0
assign (resid   159 and name HN)(resid   156 and name HA  ) 0.0 0.0 4.5
assign (resid   159 and name HN)(resid   158 and name HB#  ) 0.0 1.0 6.0
assign (resid   159 and name HN)(resid   155 and name HB#  ) 0.0 1.0 5.5
assign (resid   159 and name HN)(resid   155 and name HD1#  ) 0.0 1.5 6.0

!T160
assign (resid   160 and name HN)(resid   160 and name HA    ) 0.0 0.0 3.0
assign (resid   160 and name HN)(resid   160 and name HB    ) 0.0 0.0 4.0
assign (resid   160 and name HN)(resid   160 and name HG2#    ) 0.0 1.5 5.0

assign (resid   160 and name HN)(resid   159 and name HA#    ) 0.0 1.0 4.5
assign (resid   160 and name HN)(resid   177 and name HB#    ) 0.0 1.5 6.5
assign (resid   160 and name HN)(resid   176 and name HG2#    ) 0.0 1.0 4.5

!V161
assign (resid   161 and name HN)(resid   161 and name HA    ) 0.0 0.0 3.0
assign (resid   161 and name HN)(resid   161 and name HB    ) 0.0 0.0 3.0
assign (resid   161 and name HN)(resid   161 and name HG2#    ) 0.0 1.5 6.0
assign (resid   161 and name HN)(resid   161 and name HG1#    ) 0.0 1.5 6.5

assign (resid   161 and name HN)(resid   160 and name HA    ) 0.0 0.0 2.8
assign (resid   161 and name HN)(resid   160 and name HB    ) 0.0 0.0 3.5
assign (resid   161 and name HN)(resid   160 and name HG2#    ) 0.0 1.5 6.0
assign (resid   161 and name HN)(resid   156 and name HG2#    ) 0.0 1.5 6.5

!E162
assign (resid   162 and name HN)(resid   162 and name HA    ) 0.0 0.0 3.0
assign (resid   162 and name HN)(resid   162 and name HB#    ) 0.0 1.0 4.0

assign (resid   162 and name HN)(resid   163 and name HN    ) 0.0 0.0 2.5
assign (resid   162 and name HN)(resid   177 and name HN    ) 0.0 0.0 5.0
assign (resid   162 and name HN)(resid   176 and name HA    ) 0.0 0.0 3.5
assign (resid   162 and name HN)(resid   161 and name HA    ) 0.0 0.0 2.8
assign (resid   162 and name HN)(resid   163 and name HB#    ) 0.0 1.0 4.5
assign (resid   162 and name HN)(resid   175 and name HB    ) 0.0 0.0 4.0
assign (resid   162 and name HN)(resid   175 and name HG1#    ) 0.0 1.5 6.0
assign (resid   162 and name HN)(resid   161 and name HG1#    ) 0.0 1.5 6.0

!Q163
assign (resid   163 and name HN)(resid   163 and name HA    ) 0.0 0.0 3.0
assign (resid   163 and name HN)(resid   163 and name HB#    ) 0.0 1.0 4.0
assign (resid   163 and name HN)(resid   163 and name HG#    ) 0.0 1.0 5.5

!assign (resid   163 and name HN)(resid   162 and name HN    ) 0.0 0.0 3.0 !repeat
!assign (resid   163 and name HN)(resid   175 and name HN    ) 0.0 0.0 4.0 !repeat
assign (resid   163 and name HN)(resid   162 and name HA    ) 0.0 0.0 4.0
assign (resid   163 and name HN)(resid   161 and name HA    ) 0.0 0.0 4.5
assign (resid   163 and name HN)(resid   175 and name HB    ) 0.0 0.0 4.5
assign (resid   163 and name HN)(resid   175 and name HG1#    ) 0.0 1.5 6.0
assign (resid   163 and name HN)(resid   161 and name HG1#    ) 0.0 1.5 6.0

!H164
assign (resid   164 and name HN)(resid   164 and name HB#    ) 0.0 1.0 4.0

!K166
assign (resid   166 and name HN)(resid   166 and name HA    ) 0.0 0.0 3.0
assign (resid   166 and name HN)(resid   166 and name HB#    ) 0.0 1.0 4.0
assign (resid   166 and name HN)(resid   166 and name HG#    ) 0.0 1.0 5.5

assign (resid   166 and name HN)(resid   165 and name HA    ) 0.0 0.0 3.0
assign (resid   166 and name HN)(resid   173 and name HN    ) 0.0 0.0 4.5
assign (resid   166 and name HN)(resid   174 and name HB#    ) 0.0 1.0 6.0
assign (resid   166 and name HN)(resid   167 and name HB#    ) 0.0 1.0 6.0
assign (resid   166 and name HN)(resid   172 and name HD1#    ) 0.0 1.5 6.5

!L167
assign (resid   167 and name HN)(resid   167 and name HA    ) 0.0 0.0 3.0
assign (resid   167 and name HN)(resid   167 and name HB#    ) 0.0 1.0 4.0
assign (resid   167 and name HN)(resid   167 and name HG    ) 0.0 0.0 4.5

assign (resid   167 and name HN)(resid   166 and name HG#    ) 0.0 1.0 5.5
assign (resid   167 and name HN)(resid   166 and name HA    ) 0.0 0.0 3.5
assign (resid   167 and name HN)(resid   166 and name HB#    ) 0.0 1.0 3.5

!E168
assign (resid   168 and name HN)(resid   168 and name HA    ) 0.0 0.0 3.0
assign (resid   168 and name HN)(resid   168 and name HB#    ) 0.0 1.0 4.0
assign (resid   168 and name HN)(resid   168 and name HG#    ) 0.0 1.0 5.0

assign (resid   168 and name HN)(resid   171 and name HN    ) 0.0 0.0 5.0
assign (resid   168 and name HN)(resid   167 and name HA    ) 0.0 0.0 2.5
!assign (resid   168 and name HN)(resid   173 and name HB#    ) 0.0 1.0 6.0
assign (resid   168 and name HN)(resid   167 and name HB#    ) 0.0 1.0 4.5
assign (resid   168 and name HN)(resid   167 and name HD1#    ) 0.0 1.5 4.5

!R170
assign (resid   170 and name HN)(resid   170 and name HA    ) 0.0 0.0 3.0
assign (resid   170 and name HN)(resid   170 and name HB#    ) 0.0 1.0 4.0
assign (resid   170 and name HN)(resid   170 and name HG#    ) 0.0 1.0 4.5

assign (resid   170 and name HN)(resid   171 and name HN    ) 0.0 0.0 4.0
assign (resid   170 and name HN)(resid   169 and name HA#    ) 0.0 1.0 5.0

!Q171
assign (resid   171 and name HN)(resid   171 and name HA    ) 0.0 0.0 3.0
assign (resid   171 and name HN)(resid   171 and name HB#    ) 0.0 1.0 4.0
assign (resid   171 and name HN)(resid   171 and name HG#    ) 0.0 1.0 5.5

assign (resid   171 and name HN)(resid   169 and name HN    ) 0.0 0.0 5.0
assign (resid   171 and name HN)(resid   170 and name HN    ) 0.0 0.0 4.5
assign (resid   171 and name HN)(resid   169 and name HA#    ) 0.0 1.0 6.0
assign (resid   171 and name HN)(resid   170 and name HA    ) 0.0 0.0 4.0
assign (resid   171 and name HN)(resid   170 and name HB#    ) 0.0 1.0 5.5
assign (resid   171 and name HN)(resid   167 and name HD1#    ) 0.0 1.5 6.0

!L172
assign (resid   172 and name HN)(resid   172 and name HA    ) 0.0 0.0 3.0
assign (resid   172 and name HN)(resid   172 and name HB#    ) 0.0 1.0 4.0
assign (resid   172 and name HN)(resid   172 and name HG    ) 0.0 0.0 4.5

assign (resid   172 and name HN)(resid   171 and name HA    ) 0.0 0.0 3.0
assign (resid   172 and name HN)(resid   132 and name HA    ) 0.0 0.0 5.0
assign (resid   172 and name HN)(resid   171 and name HB#    ) 0.0 1.0 5.0

!M173
assign (resid   173 and name HN)(resid   173 and name HA    ) 0.0 0.0 3.0
assign (resid   173 and name HN)(resid   173 and name HB#    ) 0.0 1.0 4.0
assign (resid   173 and name HN)(resid   173 and name HG#    ) 0.0 1.0 5.0

assign (resid   173 and name HN)(resid   172 and name HA    ) 0.0 0.0 2.5
assign (resid   173 and name HN)(resid   174 and name HA    ) 0.0 0.0 5.0
assign (resid   173 and name HN)(resid   172 and name HB#    ) 0.0 1.0 5.5
assign (resid   173 and name HN)(resid   172 and name HG    ) 0.0 0.0 4.5
assign (resid   173 and name HN)(resid   172 and name HD1#    ) 0.0 1.0 4.5

!M174
assign (resid   174 and name HN)(resid   174 and name HA    ) 0.0 0.0 3.0
assign (resid   174 and name HN)(resid   174 and name HB#    ) 0.0 1.0 4.0
assign (resid   174 and name HN)(resid   174 and name HG#    ) 0.0 1.0 4.5

assign (resid   174 and name HN)(resid   130 and name HA    ) 0.0 0.0 4.0
assign (resid   174 and name HN)(resid   173 and name HA    ) 0.0 0.0 2.5
assign (resid   174 and name HN)(resid   129 and name HB    ) 0.0 0.0 4.0
assign (resid   174 and name HN)(resid   148 and name HD1#    ) 0.0 1.5 6.5
assign (resid   174 and name HN)(resid   129 and name HG1#    ) 0.0 1.5 6.5

!V175
assign (resid   175 and name HN)(resid   175 and name HA    ) 0.0 0.0 3.0
assign (resid   175 and name HN)(resid   175 and name HB#    ) 0.0 1.0 4.0
assign (resid   175 and name HN)(resid   175 and name HG#    ) 0.0 3.0 7.5

assign (resid   175 and name HN)(resid   174 and name HA    ) 0.0 0.0 3.0
assign (resid   175 and name HN)(resid   163 and name HN    ) 0.0 0.0 5.0
assign (resid   175 and name HN)(resid   174 and name HB#    ) 0.0 1.0 4.5
assign (resid   175 and name HN)(resid   163 and name HB#    ) 0.0 1.0 4.5

!I176
assign (resid   176 and name HN)(resid   176 and name HA    ) 0.0 0.0 3.0
assign (resid   176 and name HN)(resid   176 and name HB    ) 0.0 0.0 3.0
assign (resid   176 and name HN)(resid   176 and name HG1#    ) 0.0 1.0 5.0
assign (resid   176 and name HN)(resid   176 and name HG2#    ) 0.0 1.5 6.5
assign (resid   176 and name HN)(resid   176 and name HD1#    ) 0.0 1.5 6.5

assign (resid   176 and name HN)(resid   175 and name HA    ) 0.0 0.0 2.8
assign (resid   176 and name HN)(resid   128 and name HA    ) 0.0 0.0 4.5
assign (resid   176 and name HN)(resid   127 and name HN    ) 0.0 0.0 4.5
assign (resid   176 and name HN)(resid   175 and name HG1#    ) 0.0 1.5 6.5
assign (resid   176 and name HN)(resid   175 and name HG2#    ) 0.0 1.5 6.5

!A177
assign (resid   177 and name HN)(resid   177 and name HA    ) 0.0 0.0 3.0
assign (resid   177 and name HN)(resid   177 and name HB#    ) 0.0 1.5 4.5

assign (resid   177 and name HN)(resid   160 and name HN    ) 0.0 0.0 3.5
assign (resid   177 and name HN)(resid   161 and name HA    ) 0.0 0.0 4.5
assign (resid   177 and name HN)(resid   176 and name HA    ) 0.0 0.0 2.8
assign (resid   177 and name HN)(resid   176 and name HG2#    ) 0.0 1.5 5.0

!K179
assign (resid   179 and name HN)(resid   159 and name HA#    ) 0.0 1.0 4.5
!assign (resid   179 and name HN)(resid   156 and name HA    ) 0.0 0.0 4.5
assign (resid   179 and name HN)(resid   178 and name HB#    ) 0.0 1.0 6.0
assign (resid   179 and name HN)(resid   121 and name HB#    ) 0.0 1.0 4.0

*******************************************************************************
!!! paif3c 13c-noe
!V86
assign (resid   86 and   name HA  )(resid   86 and   name HB  )  0.0 0.0 3.0
assign (resid   86 and   name HA  )(resid   86 and   name HG2#  )  0.0 1.5 5.0
assign (resid   86 and   name HB  )(resid   86 and   name HG2#  )  0.0 1.5 4.5
assign (resid   86 and   name HG1#  )(resid   86 and   name HA  )  0.0 1.5 4.5

!A87
assign (resid   87 and   name HA  )(resid   87 and   name HB#  )  0.0 1.5 4.5
assign (resid   87 and   name HA  )(resid   90 and   name HB#  )  0.0 1.0 4.5

!N90
assign (resid   90 and   name HA  )(resid   90 and   name HB#  )  0.0 1.0 4.0

!Q91
assign (resid   91 and   name HA  )(resid   91 and   name HB#  )  0.0 1.0 4.0
assign (resid   91 and   name HA  )(resid   91 and   name HG#  )  0.0 1.0 4.5

!K92
assign (resid   92 and   name HA  )(resid   92 and   name HB#  )  0.0 1.0 4.0
assign (resid   92 and   name HA  )(resid   92 and   name HG#  )  0.0 1.0 4.5

!Q93
assign (resid   93 and   name HA  )(resid   93 and   name HB#  )  0.0 1.0 4.0
assign (resid   93 and   name HA  )(resid   93 and   name HG#  )  0.0 1.0 4.5

!A94
assign (resid   94 and   name HA  )(resid   94 and   name HB#  )  0.0 1.5 4.5

assign (resid   94 and   name HB# )(resid   125 and   name HA  )  0.0 1.5 6.0
assign (resid   94 and   name HA )(resid   125 and   name HB# )  0.0 1.5 6.5
assign (resid   94 and   name HA )(resid   95 and   name HB#  )  0.0 1.5 6.5

!Q95
assign (resid   95 and   name HA  )(resid   95 and   name HB#  )  0.0 1.0 4.0
assign (resid   95 and   name HA  )(resid   95 and   name HG#  )  0.0 1.0 4.5

assign (resid   95 and   name HA  )(resid   96 and   name HB  )  0.0 0.0 5.0
assign (resid   95 and   name HA  )(resid   96 and   name HG2#  )  0.0 1.5 6.5

!V96
assign (resid   96 and   name HA  )(resid   96 and   name HB  )  0.0 0.0 3.0
assign (resid   96 and   name HA  )(resid   96 and   name HG#  )  0.0 3.0 7.0

assign (resid   96 and   name HA  )(resid   126 and   name HB#  )  0.0 1.0 4.5

!K97
assign (resid   97 and   name HA  )(resid   97 and   name HB#  )  0.0 1.0 4.0
assign (resid   97 and   name HA  )(resid   97 and   name HG#  )  0.0 1.0 4.5

assign (resid   97 and   name HA  )(resid    96 and   name HG#  )  0.0 3.0 8.0
assign (resid   97 and   name HA  )(resid    98 and   name HB#  )  0.0 1.0 5.5

!E98
assign (resid   98 and   name HA  )(resid   98 and   name HB#  )  0.0 1.0 4.0
assign (resid   98 and   name HA  )(resid   98 and   name HG#  )  0.0 1.0 4.0

assign (resid   98 and   name HA  )(resid    128 and   name HB#  )  0.0 1.0 4.5

!I99
assign (resid   99 and   name HA  )(resid   99 and   name HB  )  0.0 0.0 3.0
assign (resid   99 and   name HA  )(resid   99 and   name HG1#  )  0.0 1.0 4.5
assign (resid   99 and   name HA  )(resid   99 and   name HG2#  )  0.0 1.5 5.5
assign (resid   99 and   name HA  )(resid   99 and   name HD1#  )  0.0 1.5 5.5

assign (resid   99 and   name HB  )(resid   113 and   name HB#  )  0.0 1.0 6.5
assign (resid   99 and   name HB  )(resid   117 and   name HD#  )  0.0 3.0 7.5
assign (resid   99 and   name HG2#  )(resid   120 and   name HD#  )  0.0 3.5 8.0
assign (resid   99 and   name HG2#  )(resid   101 and   name HD#  )  0.0 3.5 8.5
!assign (resid   99 and   name HG2#  )(resid   110 and   name HD#  )  0.0 3.5 8.5
assign (resid   99 and   name HG2#  )(resid   116 and   name HB#  )  0.0 2.5 6.5
assign (resid   99 and   name HG2#  )(resid   129 and   name HA  )  0.0 1.5 6.5
assign (resid   99 and   name HG2#  )(resid   113 and   name HA  )  0.0 1.5 5.5
assign (resid   99 and   name HG2#  )(resid   113 and   name HG#  )  0.0 2.5 7.0

!K100
assign (resid   100 and   name HA  )(resid   100 and   name HB#  )  0.0 1.0 3.8
assign (resid   100 and   name HA  )(resid   100 and   name HG#  )  0.0 1.0 4.0

assign (resid   100 and   name HA  )(resid   130 and   name HB#  )  0.0 1.0 5.5

!F101
assign (resid   101 and   name HA  )(resid   101 and   name HB#  )  0.0 1.0 4.0
assign (resid   101 and   name HA  )(resid   101 and   name HD#  )  0.0 2.0 5.5

assign (resid   101 and   name HA  )(resid   100 and   name HB#  )  0.0 1.0 6.0
assign (resid   101 and   name HA  )(resid   102 and   name HB#  )  0.0 1.0 6.0
assign (resid   101 and   name HA  )(resid   99 and   name HG2#  )  0.0 1.5 6.5

!T105
assign (resid   105 and   name HA  )(resid   105 and   name HB  )  0.0 0.0 3.0
assign (resid   105 and   name HA  )(resid   105 and   name HG2#  )  0.0 1.5 4.5

assign (resid   105 and   name HG2#  )(resid   109 and   name HB#  )  0.0 2.5 5.0
assign (resid   105 and   name HG2#  )(resid   110 and   name HB#  )  0.0 2.5 6.5
assign (resid   105 and   name HG2#  )(resid   110 and   name HD#  )  0.0 3.5 8.5
assign (resid   105 and   name HG2#  )(resid   101 and   name HD#  )  0.0 3.5 8.5

!E107
assign (resid   107 and   name HA  )(resid   107 and   name HB#  )  0.0 1.0 3.8
assign (resid   107 and   name HA  )(resid   107 and   name HG#  )  0.0 1.0 4.0

assign (resid   107 and   name HA )(resid   110 and   name HB#  )  0.0 1.0 4.5
assign (resid   107 and   name HA )(resid   110 and   name HD#  )  0.0 2.0 6.5

!G108
assign (resid   108 and   name HA#  )(resid   111 and   name HB#  )  0.0 1.0 5.0
assign (resid   108 and   name HA#  )(resid   107 and   name HB#  )  0.0 1.0 6.0

!D109
assign (resid   109 and   name HA  )(resid   109 and   name HB#  )  0.0 1.0 3.8

assign (resid   109 and   name HA  )(resid   112 and   name HB  )  0.0 0.0 5.0
assign (resid   109 and   name HA  )(resid   112 and   name HG#  )  0.0 3.0 7.0
!assign (resid   109 and   name HB# )(resid   105 and   name HG2#  )  0.0 2.5 4.0 !repeat

!Y110
assign (resid   110 and   name HA  )(resid   110 and   name HB#  )  0.0 1.0 3.8
assign (resid   110 and   name HA  )(resid   110 and   name HD#  )  0.0 2.0 5.5
assign (resid   110 and   name HA  )(resid   110 and   name HE#  )  0.0 2.0 7.5

assign (resid   110 and   name HA  )(resid   105 and   name HG2#  )  0.0 1.5 5.0
assign (resid   110 and   name HA  )(resid   113 and   name HB#  )  0.0 1.5 4.5

!Q111
assign (resid   111 and   name HA  )(resid   111 and   name HB#  )  0.0 1.0 3.8
assign (resid   111 and   name HA  )(resid   111 and   name HG#  )  0.0 1.0 4.5

assign (resid   111 and   name HA  )(resid   114 and   name HB#  )  0.0 1.0 4.0
assign (resid   111 and   name HA  )(resid   114 and   name HD#  )  0.0 3.0 8.0
assign (resid   111 and   name HA  )(resid   110 and   name HD#  )  0.0 2.0 7.0

!V112
assign (resid   112 and   name HA  )(resid   112 and   name HB  )  0.0 0.0 3.0
assign (resid   112 and   name HA  )(resid   112 and   name HG#  )  0.0 3.0 6.5

assign (resid   112 and   name HG2#  )(resid   111 and   name HB# )  0.0 2.5 5.5
assign (resid   112 and   name HG2#  )(resid   109 and   name HB# )  0.0 2.5 7.0
assign (resid   112 and   name HG2#  )(resid   108 and   name HA# )  0.0 2.5 7.5
assign (resid   112 and   name HG2#  )(resid   109 and   name HA )  0.0 3.0 4.5
assign (resid   112 and   name HG2#  )(resid   115 and   name HB# )  0.0 2.5 7.5
assign (resid   112 and   name HG1#  )(resid   109 and   name HB# )  0.0 2.5 7.0
assign (resid   112 and   name HA )(resid   111 and   name HB#  )  0.0 1.0 5.5
assign (resid   112 and   name HA )(resid   115 and   name HB#  )  0.0 1.5 5.0

!K113
assign (resid   113 and   name HA  )(resid   113 and   name HB#  )  0.0 1.0 4.0
assign (resid   113 and   name HA  )(resid   113 and   name HG#  )  0.0 1.0 4.0

assign (resid   113 and   name HA )(resid   116 and   name HB#  )  0.0 1.0 4.5
assign (resid   113 and   name HA )(resid   117 and   name HG  )  0.0 0.0 5.0
assign (resid   113 and   name HA )(resid   112 and   name HG2#  )  0.0 1.5 6.5
assign (resid   113 and   name HA )(resid   112 and   name HG1#  )  0.0 1.5 6.0
assign (resid   113 and   name HA )(resid   99 and   name HG2#  )  0.0 1.5 6.0
assign (resid   113 and   name HA )(resid   99 and   name HD1#  )  0.0 1.5 6.0

!L114
assign (resid   114 and   name HA  )(resid   114 and   name HB#  )  0.0 1.0 4.0
assign (resid   114 and   name HA  )(resid   114 and   name HG  )  0.0 0.0 3.0
assign (resid   114 and   name HA  )(resid   114 and   name HD#  )  0.0 3.0 7.5
assign (resid   114 and   name HD2#  )(resid   114 and   name HB#  )  0.0 2.5 5.5

assign (resid   114 and   name HA  )(resid   117 and   name HB#  )  0.0 1.0 4.5
assign (resid   114 and   name HA  )(resid   117 and   name HD#  )  0.0 3.0 7.5
assign (resid   114 and   name HD2#  )(resid   110 and   name HE#  )  0.0 4.0 8.5
assign (resid   114 and   name HD2#  )(resid   110 and   name HD#  )  0.0 4.0 8.5
assign (resid   114 and   name HD2#  )(resid   113 and   name HB#  )  0.0 2.5 7.0
assign (resid   114 and   name HD1#  )(resid   110 and   name HE#  )  0.0 4.0 8.5
assign (resid   114 and   name HD1#  )(resid   110 and   name HD#  )  0.0 4.0 8.5
assign (resid   114 and   name HD2#  )(resid   154 and   name HB#  )  0.0 2.5 5.5

!R115
!assign (resid   115 and   name HA  )(resid   115 and   name HB#  )  0.0 1.0 4.0
assign (resid   115 and   name HA  )(resid   115 and   name HG#  )  0.0 1.0 4.0

assign (resid   115 and   name HA  )(resid   118 and   name HB  )  0.0 0.0 4.0
assign (resid   115 and   name HA  )(resid   118 and   name HG1#  )  0.0 1.5 6.0

!N116
assign (resid   116 and   name HA  )(resid   116 and   name HB#  )  0.0 1.0 4.0

assign (resid   116 and   name HA  )(resid   119 and   name HB#  )  0.0 1.0 4.0
assign (resid   116 and   name HA  )(resid   115 and   name HB#  )  0.0 1.0 5.5
assign (resid   116 and   name HA  )(resid   120 and   name HD#  )  0.0 2.0 7.0

!L117
assign (resid   117 and   name HA  )(resid   117 and   name HB#  )  0.0 1.0 4.0
assign (resid   117 and   name HA  )(resid   117 and   name HG  )  0.0 0.0 3.0
assign (resid   117 and   name HA  )(resid   117 and   name HD#  )  0.0 3.0 7.5

assign (resid   117 and   name HA )(resid   120 and   name HD#  )  0.0 2.0 5.5
assign (resid   117 and   name HA )(resid   120 and   name HB#  )  0.0 1.0 4.5
assign (resid   117 and   name HA )(resid   116 and   name HB#  )  0.0 1.0 6.0
assign (resid   117 and   name HA )(resid   118 and   name HB  )  0.0 1.0 6.0
assign (resid   117 and   name HD2# )(resid   176 and   name HG1#  )  0.0 2.5 5.5
assign (resid   117 and   name HD2# )(resid   99 and   name HB  )  0.0 1.5 4.5
assign (resid   117 and   name HD2# )(resid   120 and   name HD#  )  0.0 3.5 7.0
assign (resid   117 and   name HD1# )(resid   176 and   name HB  )  0.0 1.5 7.5
assign (resid   117 and   name HD1# )(resid   110 and   name HE#  )  0.0 3.5 8.5

!V118
assign (resid   118 and   name HA  )(resid   118 and   name HB  )  0.0 0.0 3.0
assign (resid   118 and   name HA  )(resid   118 and   name HG#  )  0.0 1.0 5.0

assign (resid   118 and   name HA  )(resid   121 and   name HB#  )  0.0 1.0 4.5
assign (resid   118 and   name HA  )(resid   155 and   name HD#  )  0.0 3.0 7.5
assign (resid   118 and   name HG2#  )(resid   158 and   name HD#  )  0.0 3.5 7.5
assign (resid   118 and   name HG2#  )(resid   158 and   name HE#  )  0.0 3.5 7.5
assign (resid   118 and   name HG2#  )(resid   155 and   name HD2#  )  0.0 3.0 7.5
assign (resid   118 and   name HG1# )(resid   121 and   name HD1#  )  0.0 3.0 8.0
assign (resid   118 and   name HG1# )(resid   158 and   name HE#  )  0.0 3.5 8.0

!R119
!assign (resid   119 and   name HA  )(resid   119 and   name HB#  )  0.0 1.0 4.0
assign (resid   119 and   name HA  )(resid   119 and   name HG#  )  0.0 1.0 4.0

assign (resid   119 and   name HA  )(resid   122 and   name HB#  )  0.0 1.0 4.0

!F120
assign (resid   120 and   name HA  )(resid   120 and   name HB#  )  0.0 1.0 4.0
assign (resid   120 and   name HA  )(resid   120 and   name HD1  )  0.0 0.0 3.8

assign (resid   120 and   name HA  )(resid   123 and   name HB#  )  0.0 1.0 4.5

!L121
assign (resid   121 and   name HA  )(resid   121 and   name HB#  )  0.0 1.0 4.0
assign (resid   121 and   name HA  )(resid   121 and   name HG  )  0.0 0.0 3.0
assign (resid   121 and   name HA  )(resid   121 and   name HD2#  )  0.0 1.5 5.5

!S122
assign (resid   122 and   name HA  )(resid   122 and   name HB#  )  0.0 1.0 4.0

!E123
assign (resid   123 and   name HA  )(resid   123 and   name HB#  )  0.0 1.0 4.0
assign (resid   123 and   name HA  )(resid   123 and   name HG#  )  0.0 1.0 4.0

!D125
assign (resid   125 and   name HA  )(resid   125 and   name HB#  )  0.0 1.0 4.0

assign (resid   125 and   name HA  )(resid   94 and   name HB#  )  0.0 1.5 5.5

!K126
assign (resid   126 and   name HA  )(resid   126 and   name HB#  )  0.0 1.0 4.0
assign (resid   126 and   name HA  )(resid   126 and   name HG#  )  0.0 1.0 4.0

assign (resid   126 and   name HA  )(resid   178 and   name HG#  )  0.0 1.0 5.5
assign (resid   126 and   name HA  )(resid   178 and   name HD#  )  0.0 1.0 5.5
assign (resid   126 and   name HA  )(resid   121 and   name HD2#  )  0.0 1.5 6.5

!A127
assign (resid   127 and   name HA  )(resid   127 and   name HB#  )  0.0 1.5 4.5

assign (resid   127 and   name HA  )(resid   96 and   name HG1#  )  0.0 1.5 6.0
assign (resid   127 and   name HB#  )(resid   176 and   name HB  )  0.0 1.5 4.5
assign (resid   127 and   name HB#  )(resid   120 and   name HD#  )  0.0 3.5 7.5
assign (resid   127 and   name HB#  )(resid   117 and   name HD#  )  0.0 4.5 8.5

!K128
assign (resid   128 and   name HA  )(resid   128 and   name HB#  )  0.0 1.0 4.0
assign (resid   128 and   name HA  )(resid   128 and   name HG#  )  0.0 1.0 4.0

assign (resid   128 and   name HA  )(resid   175 and   name HG#  )  0.0 3.0 7.0
assign (resid   128 and   name HA  )(resid   175 and   name HA  )  0.0 0.0 3.0

!V129
assign (resid   129 and   name HA  )(resid   129 and   name HB  )  0.0 0.0 3.0
assign (resid   129 and   name HA  )(resid   129 and   name HG#  )  0.0 3.0 6.5

assign (resid   129 and   name HA )(resid   99 and   name HB  )  0.0 0.0 4.5
assign (resid   129 and   name HA )(resid   117 and   name HD2#  )  0.0 2.0 4.8
assign (resid   129 and   name HG2#  )(resid   148 and   name HD# )  0.0 4.5 8.5
assign (resid   129 and   name HG1# )(resid   131 and   name HD1#  )  0.0 3.0 6.0
assign (resid   129 and   name HG1# )(resid   148 and   name HD#  )  0.0 4.5 8.5

!S130
assign (resid   130 and   name HA  )(resid   130 and   name HB#  )  0.0 1.0 4.0

assign (resid   130 and   name HA  )(resid   173 and   name HB#  )  0.0 1.0 4.4

!L131
assign (resid   131 and   name HA  )(resid   131 and   name HB#  )  0.0 1.0 4.0
assign (resid   131 and   name HA  )(resid   131 and   name HG  )  0.0 0.0 3.0
assign (resid   131 and   name HA  )(resid   131 and   name HD#  )  0.0 3.0 7.5
assign (resid   131 and   name HB# )(resid   131 and   name HD#  )  0.0 4.0 7.0

assign (resid   131 and   name HA  )(resid   148 and   name HD#  )  0.0 3.0 7.5
assign (resid   131 and   name HA  )(resid   101 and   name HB#  )  0.0 1.0 5.0
assign (resid   131 and   name HD1# )(resid   133 and   name HD#  )  0.0 3.5 7.0
assign (resid   131 and   name HD1# )(resid   147 and   name HB#  )  0.0 2.5 6.5
assign (resid   131 and   name HD1# )(resid   147 and   name HD#  )  0.0 4.5 8.0
assign (resid   131 and   name HD1# )(resid   144 and   name HA#  )  0.0 2.5 6.0
assign (resid   131 and   name HD1# )(resid   103 and   name HA  )  0.0 1.5 5.0
assign (resid   131 and   name HD2# )(resid   133 and   name HE#  )  0.0 3.5 7.5
assign (resid   131 and   name HD2# )(resid   103 and   name HA  )  0.0 1.5 6.0
assign (resid   131 and   name HD2# )(resid   147 and   name HB#  )  0.0 2.5 6.5

!R132
!assign (resid   132 and   name HA  )(resid   132 and   name HB#  )  0.0 1.0 4.0
assign (resid   132 and   name HA  )(resid   132 and   name HG#  )  0.0 1.0 4.0

assign (resid   132 and   name HA  )(resid   171 and   name HA  )  0.0 1.0 4.5
assign (resid   132 and   name HA  )(resid   171 and   name HB#  )  0.0 1.0 5.5

!F133
assign (resid   133 and   name HA  )(resid   133 and   name HB#  )  0.0 1.0 4.0
assign (resid   133 and   name HA  )(resid   133 and   name HD#  )  0.0 2.0 5.0

assign (resid   133 and   name HA  )(resid   132 and   name HB#  )  0.0 1.0 5.5
!assign (resid   133 and   name HA  )(resid   134 and   name HG#  )  0.0 1.0 5.5

!R136
!assign (resid   136 and   name HA  )(resid   136 and   name HB#  )  0.0 1.0 4.0
assign (resid   136 and   name HA  )(resid   136 and   name HG#  )  0.0 1.0 4.0

!E137
assign (resid   137 and   name HA  )(resid   137 and   name HB#  )  0.0 1.0 4.0
assign (resid   137 and   name HA  )(resid   137 and   name HG#  )  0.0 1.0 4.0

assign (resid   137 and   name HA  )(resid   133 and   name HD2  )  0.0 0.0 4.5

!M138
assign (resid   138 and   name HA  )(resid   138 and   name HB#  )  0.0 1.0 4.0
assign (resid   138 and   name HA  )(resid   138 and   name HG#  )  0.0 1.0 4.0
assign (resid   138 and   name HA  )(resid   138 and   name HE#  )  0.0 1.5 5.0

!A139
assign (resid   139 and   name HA  )(resid   139 and   name HB#  )  0.0 1.5 4.5

assign (resid   139 and   name HB#  )(resid   140 and   name HD2  )  0.0 1.5 4.5
assign (resid   139 and   name HB#  )(resid   138 and   name HB#  )  0.0 2.5 7.5

!H140
assign (resid   140 and   name HA  )(resid   140 and   name HB#  )  0.0 1.0 4.0
assign (resid   140 and   name HA  )(resid   140 and   name HD2  )  0.0 0.0 3.0

assign (resid   140 and   name HA  )(resid   143 and   name HB#  )  0.0 1.0 4.5
assign (resid   140 and   name HA  )(resid   143 and   name HD#  )  0.0 3.0 7.5

!Q141
assign (resid   141 and   name HA  )(resid   141 and   name HB#  )  0.0 1.0 4.0
assign (resid   141 and   name HA  )(resid   141 and   name HG#  )  0.0 1.0 4.0

assign (resid   141 and   name HA  )(resid   133 and   name HE#  )  0.0 2.0 5.5
assign (resid   141 and   name HA  )(resid   144 and   name HA#  )  0.0 1.0 5.5

!E142
assign (resid   142 and   name HA  )(resid   142 and   name HB#  )  0.0 1.0 4.0
assign (resid   142 and   name HA  )(resid   142 and   name HG#  )  0.0 1.0 4.0

assign (resid   142 and   name HA  )(resid   145 and   name HB#  )  0.0 1.5 4.5
assign (resid   142 and   name HA  )(resid   145 and   name HG#  )  0.0 1.5 6.0

!L143
assign (resid   143 and   name HA  )(resid   143 and   name HB#  )  0.0 1.0 4.0
assign (resid   143 and   name HA  )(resid   143 and   name HG   )  0.0 0.0 3.4
assign (resid   143 and   name HA  )(resid   143 and   name HD#  )  0.0 3.0 7.0

assign (resid   143 and   name HA  )(resid   146 and   name HB#  )  0.0 1.0 5.0
assign (resid   143 and   name HD1#  )(resid   146 and   name HB#  )  0.0 2.5 7.5
assign (resid   143 and   name HD2#  )(resid   142 and   name HB#  )  0.0 2.5 7.5
assign (resid   143 and   name HD2#  )(resid   140 and   name HA  )  0.0 2.0 7.0

!M145
assign (resid   145 and   name HA  )(resid   145 and   name HB#  )  0.0 1.0 4.0
assign (resid   145 and   name HA  )(resid   145 and   name HG#  )  0.0 1.0 4.0

assign (resid   145 and   name HA  )(resid   148 and   name HB#  )  0.0 1.0 4.5
assign (resid   145 and   name HE1#  )(resid   172 and   name HD2#  )  0.0 3.0 7.0

!E146
assign (resid   146 and   name HA  )(resid   146 and   name HB#  )  0.0 1.0 4.0
assign (resid   146 and   name HA  )(resid   146 and   name HG#  )  0.0 1.0 4.0

assign (resid   146 and   name HA  )(resid   149 and   name HB#  )  0.0 1.0 4.5
assign (resid   146 and   name HA  )(resid   149 and   name HD#  )  0.0 1.0 5.0
assign (resid   146 and   name HG#  )(resid   143 and   name HA  )  0.0 1.0 5.0

!L147
assign (resid   147 and   name HA  )(resid   147 and   name HB#  )  0.0 1.0 4.0
assign (resid   147 and   name HA  )(resid   147 and   name HG   )  0.0 0.0 3.0
assign (resid   147 and   name HA  )(resid   147 and   name HD1#  )  0.0 1.5 5.0
assign (resid   147 and   name HA  )(resid   147 and   name HD2#  )  0.0 1.5 6.0
assign (resid   147 and   name HG  )(resid   147 and   name HD#  )  0.0 3.0 5.5

assign (resid   147 and   name HA  )(resid   150 and   name HB#  )  0.0 1.0 4.5
!assign (resid   147 and   name HD2# )(resid   101 and   name HA  )  0.0 1.5 6.5
assign (resid   147 and   name HD2# )(resid   101 and   name HB#  )  0.0 2.5 7.0
assign (resid   147 and   name HD2# )(resid   144 and   name HA#  )  0.0 2.5 6.5
assign (resid   147 and   name HD2# )(resid   101 and   name HD#  )  0.0 3.5 8.5
assign (resid   147 and   name HD2# )(resid   110 and   name HD#  )  0.0 3.5 8.5
assign (resid   147 and   name HD1# )(resid   110 and   name HE#  )  0.0 3.5 7.5

!L148
assign (resid   148 and   name HA  )(resid   148 and   name HB#  )  0.0 1.0 4.0
assign (resid   148 and   name HA  )(resid   148 and   name HG   )  0.0 0.0 3.5
assign (resid   148 and   name HA  )(resid   148 and   name HD#  )  0.0 3.0 7.0
assign (resid   148 and   name HG  )(resid   148 and   name HD#  )  0.0 3.0 6.5

assign (resid   148 and   name HA  )(resid   151 and   name HB  )  0.0 0.0 4.5
assign (resid   148 and   name HD1#  )(resid   172 and   name HD1#  )  0.0 3.0 6.0
assign (resid   148 and   name HD1#  )(resid   174 and   name HE#  )  0.0 3.0 6.5
assign (resid   148 and   name HD1#  )(resid   172 and   name HB#  )  0.0 2.5 7.0
assign (resid   148 and   name HD1#  )(resid   174 and   name HB#  )  0.0 2.5 7.0
assign (resid   148 and   name HD2# )(resid   147 and   name HB#  )  0.0 2.5 5.0
assign (resid   148 and   name HD2# )(resid   151 and   name HG#  )  0.0 4.0 7.5
assign (resid   148 and   name HD2# )(resid   147 and   name HA  )  0.0 2.0 7.0

!K149
assign (resid   149 and   name HA  )(resid   149 and   name HB#  )  0.0 1.0 4.0
assign (resid   149 and   name HA  )(resid   149 and   name HG#  )  0.0 1.0 4.0
assign (resid   149 and   name HA  )(resid   149 and   name HD#  )  0.0 1.0 5.0

assign (resid   149 and   name HA  )(resid   152 and   name HB#  )  0.0 1.0 4.5
assign (resid   149 and   name HA  )(resid   148 and   name HB#  )  0.0 1.0 6.0

!R150
!assign (resid   150 and   name HA  )(resid   150 and   name HB#  )  0.0 1.0 4.0
assign (resid   150 and   name HA  )(resid   150 and   name HG#  )  0.0 1.0 4.0

assign (resid   150 and   name HA )(resid   153 and   name HB#  )  0.0 1.5 5.5
assign (resid   150 and   name HA )(resid   152 and   name HB#  )  0.0 1.0 6.0

!V151
assign (resid   151 and   name HA  )(resid   151 and   name HB  )  0.0 0.0 2.8
assign (resid   151 and   name HA  )(resid   151 and   name HG#  )  0.0 3.0 6.0

assign (resid   151 and   name HA  )(resid   154 and   name HB# )  0.0 1.0 4.5
assign (resid   151 and   name HB  )(resid   148 and   name HD2# )  0.0 1.5 5.5
assign (resid   151 and   name HG1# )(resid   129 and   name HG#  )  0.0 4.5 8.5
assign (resid   151 and   name HG1# )(resid   155 and   name HD#  )  0.0 4.5 8.5
assign (resid   151 and   name HG2# )(resid   110 and   name HE1  )  0.0 1.5 4.5
assign (resid   151 and   name HG2# )(resid   110 and   name HD1  )  0.0 1.5 6.5
assign (resid   151 and   name HG2# )(resid   147 and   name HG  )  0.0 1.5 5.0
assign (resid   151 and   name HG2# )(resid   148 and   name HD#  )  0.0 4.5 9.0

!E152
assign (resid   152 and   name HA )(resid   152 and   name HB#  )  0.0 1.0 4.0
assign (resid   152 and   name HA )(resid   152 and   name HG#  )  0.0 1.0 4.0

assign (resid   152 and   name HA )(resid   176 and   name HD1#  )  0.0 1.5 6.0

!A153
assign (resid   153 and   name HA  )(resid   156 and   name HB  )  0.0 0.0 4.5
assign (resid   153 and   name HA  )(resid   156 and   name HG1#  )  0.0 1.5 5.0
assign (resid   153 and   name HA  )(resid   156 and   name HG2#  )  0.0 1.5 5.0

!D154
assign (resid   154 and   name HA )(resid   154 and   name HB#  )  0.0 1.0 4.0

assign (resid   154 and   name HB# )(resid   155 and   name HG  )  0.0 1.0 5.0
assign (resid   154 and   name HB# )(resid   153 and   name HB#  )  0.0 2.5 7.0
assign (resid   154 and   name HB# )(resid   151 and   name HG2#  )  0.0 2.5 7.5

!L155
assign (resid   155 and   name HA  )(resid   155 and   name HB#  )  0.0 1.0 4.0
assign (resid   155 and   name HA  )(resid   155 and   name HG   )  0.0 0.0 3.0
assign (resid   155 and   name HA  )(resid   155 and   name HD#  )  0.0 3.0 7.0

assign (resid   155 and   name HA  )(resid   158 and   name HD#  )  0.0 2.0 5.5
assign (resid   155 and   name HB#  )(resid   158 and   name HB#  )  0.0 2.0 6.5
assign (resid   155 and   name HD1#  )(resid   121 and   name HB#  )  0.0 2.5 5.0
assign (resid   155 and   name HD1#  )(resid   117 and   name HB#  )  0.0 2.0 6.0
assign (resid   155 and   name HD1#  )(resid   176 and   name HD1#  )  0.0 2.5 5.5
assign (resid   155 and   name HD1#  )(resid   158 and   name HD#  )  0.0 3.5 7.0
assign (resid   155 and   name HD2#  )(resid   117 and   name HB#  )  0.0 3.5 8.0
assign (resid   155 and   name HD2#  )(resid   159 and   name HA#  )  0.0 2.5 7.5

!V156
assign (resid   156 and   name HA  )(resid   156 and   name HB  )  0.0 0.0 2.8
assign (resid   156 and   name HA  )(resid   156 and   name HG# )  0.0 3.0 6.0
assign (resid   156 and   name HG2# )(resid   156 and   name HB  )  0.0 1.5 4.5

assign (resid   156 and   name HG1# )(resid   153 and   name HB#  )  0.0 3.0 7.5
assign (resid   156 and   name HG1# )(resid   157 and   name HG#  )  0.0 2.5 6.5
assign (resid   156 and   name HG2# )(resid   155 and   name HB#  )  0.0 2.5 7.5
assign (resid   156 and   name HG2# )(resid   157 and   name HG#  )  0.0 2.5 7.5

!E157
assign (resid   157 and   name HA  )(resid   157 and   name HB#  )  0.0 1.0 4.0
assign (resid   157 and   name HA  )(resid   157 and   name HG#  )  0.0 1.0 4.0

assign (resid   157 and   name HA  )(resid   156 and   name HG#  )  0.0 3.0 7.5

!Y158
assign (resid   158 and   name HA  )(resid   158 and   name HB#  )  0.0 1.0 4.0
assign (resid   158 and   name HA  )(resid   158 and   name HD2  )  0.0 0.0 3.5

assign (resid   158 and   name HA  )(resid   121 and   name HD1#  )  0.0 1.5 6.5
assign (resid   158 and   name HA  )(resid   121 and   name HB#  )  0.0 1.0 6.0

!G159
assign (resid   159 and   name HA#  )(resid   176 and   name HG2#  )  0.0 2.5 6.5

!T160
assign (resid   160 and   name HA  )(resid   160 and   name HB  )  0.0 0.0 3.0
assign (resid   160 and   name HA  )(resid   160 and   name HG2#  )  0.0 1.5 4.5

assign (resid   160 and   name HA )(resid   161 and   name HB  )  0.0 0.0 4.5
assign (resid   160 and   name HA )(resid   156 and   name HG2#  )  0.0 1.5 6.0
assign (resid   160 and   name HA )(resid   176 and   name HG2#  )  0.0 1.5 6.5

!V161
assign (resid   161 and   name HA  )(resid   161 and   name HB  )  0.0 0.0 2.8
assign (resid   161 and   name HA  )(resid   161 and   name HG# )  0.0 3.0 6.0
assign (resid   161 and   name HG2# )(resid   161 and   name HB  )  0.0 1.5 4.5

!assign (resid   161 and   name HG1# )(resid   174 and   name HB#  )  0.0 2.5 7.0
assign (resid   161 and   name HG1# )(resid   160 and   name HA  )  0.0 1.5 6.5
assign (resid   161 and   name HG1# )(resid   164 and   name HA  )  0.0 1.5 5.5
!assign (resid   161 and   name HG1# )(resid   164 and   name HD2  )  0.0 1.5 6.5
assign (resid   161 and   name HA )(resid   176 and   name HG2#  )  0.0 1.5 6.5
assign (resid   161 and   name HA )(resid   176 and   name HD1#  )  0.0 1.5 6.0
assign (resid   161 and   name HA )(resid   176 and   name HA  )  0.0 0.0 2.8
!assign (resid   161 and   name HG2# )(resid   176 and   name HD1#  )  0.0 3.0 7.5

!E162
assign (resid   162 and   name HA  )(resid   162 and   name HB#  )  0.0 1.0 4.0
assign (resid   162 and   name HA  )(resid   162 and   name HG#  )  0.0 1.0 4.0

assign (resid   162 and   name HB#  )(resid   175 and   name HG1#  )  0.0 2.5 6.0
assign (resid   162 and   name HB#  )(resid   177 and   name HB#  )  0.0 2.5 6.5

!Q163
assign (resid   163 and   name HA  )(resid   163 and   name HB#  )  0.0 1.0 4.0
assign (resid   163 and   name HA  )(resid   163 and   name HG#  )  0.0 1.0 4.0

assign (resid   163 and   name HA  )(resid   162 and   name HB#  )  0.0 1.0 6.0
!assign (resid   163 and   name HA  )(resid   162 and   name HG#  )  0.0 1.0 6.0
assign (resid   163 and   name HA  )(resid   161 and   name HG1#  )  0.0 1.5 6.0
assign (resid   163 and   name HA  )(resid   161 and   name HG2#  )  0.0 1.5 6.5
assign (resid   163 and   name HB#  )(resid   176 and   name HA  )  0.0 1.0 6.5
assign (resid   163 and   name HB#  )(resid   175 and   name HG#  )  0.0 4.0 8.0
assign (resid   163 and   name HB#  )(resid   175 and   name HB  )  0.0 1.0 4.0

!H164
assign (resid   164 and   name HA  )(resid   164 and   name HB#  )  0.0 1.0 4.0
assign (resid   164 and   name HA  )(resid   164 and   name HD2  )  0.0 0.0 3.8

!assign (resid   164 and   name HA  )(resid   161 and   name HA  )  0.0 0.0 5.0
assign (resid   164 and   name HA  )(resid   161 and   name HG1#  )  0.0 1.5 5.0
assign (resid   164 and   name HA  )(resid   165 and   name HD#  )  0.0 1.0 5.0

!P165
assign (resid   165 and   name HA  )(resid   165 and   name HB#  )  0.0 1.0 4.0
assign (resid   165 and   name HA  )(resid   165 and   name HG#  )  0.0 1.0 4.0
assign (resid   165 and   name HA  )(resid   165 and   name HD#  )  0.0 1.0 4.5

assign (resid   165 and   name HA  )(resid   175 and   name HG2#  )  0.0 1.5 6.5
assign (resid   165 and   name HA  )(resid   174 and   name HB#  )  0.0 1.0 6.5

!K166
assign (resid   166 and   name HA  )(resid   166 and   name HB#  )  0.0 1.0 4.0
assign (resid   166 and   name HA  )(resid   166 and   name HG#  )  0.0 1.0 4.0

assign (resid   166 and   name HA  )(resid   172 and   name HD1#  )  0.0 1.5 6.0
assign (resid   166 and   name HB#  )(resid   167 and   name HB#  )  0.0 2.0 6.0

!L167
assign (resid   167 and   name HA  )(resid   167 and   name HB#  )  0.0 1.0 4.0
assign (resid   167 and   name HA  )(resid   167 and   name HG   )  0.0 0.0 3.5
assign (resid   167 and   name HA  )(resid   167 and   name HD#  )  0.0 3.0 7.0

assign (resid   167 and   name HA  )(resid   172 and   name HA  )  0.0 0.0 3.5
assign (resid   167 and   name HA  )(resid   172 and   name HD#  )  0.0 3.0 7.5
assign (resid   167 and   name HB#  )(resid   172 and   name HD1#  )  0.0 2.5 7.0
assign (resid   167 and   name HD1#  )(resid   133 and   name HD#  )  0.0 3.5 7.5
assign (resid   167 and   name HD1#  )(resid   170 and   name HA  )  0.0 1.5 6.0

!E168
assign (resid   168 and   name HA  )(resid   168 and   name HB#  )  0.0 1.0 4.0

!R170
!assign (resid   170 and   name HA  )(resid   170 and   name HB#  )  0.0 1.0 4.0
assign (resid   170 and   name HA  )(resid   170 and   name HG#  )  0.0 1.0 4.0

!Q171
assign (resid   171 and   name HA  )(resid   171 and   name HB#  )  0.0 1.0 4.0
assign (resid   171 and   name HA  )(resid   171 and   name HG#  )  0.0 1.0 4.0

assign (resid   171 and   name HA  )(resid   172 and   name HB#  )  0.0 1.0 5.5
assign (resid   171 and   name HA  )(resid   132 and   name HA  )  0.0 1.0 4.5
assign (resid   171 and   name HA  )(resid   133 and   name HD#  )  0.0 2.0 7.0

!L172
assign (resid   172 and   name HA  )(resid   172 and   name HB#  )  0.0 1.0 4.0
assign (resid   172 and   name HA  )(resid   172 and   name HG   )  0.0 0.0 3.5
assign (resid   172 and   name HA  )(resid   172 and   name HD#  )  0.0 3.0 7.0

assign (resid   172 and   name HA )(resid   167 and   name HD#  )  0.0 3.0 7.5
assign (resid   172 and   name HD1# )(resid   133 and   name HE#  )  0.0 3.5 8.0
assign (resid   172 and   name HD2# )(resid   133 and   name HE#  )  0.0 3.5 8.0
assign (resid   172 and   name HD1# )(resid   133 and   name HD#  )  0.0 3.5 8.0
assign (resid   172 and   name HD2# )(resid   133 and   name HE#  )  0.0 3.5 8.0

!M173
assign (resid   173 and   name HA  )(resid   173 and   name HB#   )  0.0 1.0 4.0
assign (resid   173 and   name HA  )(resid   173 and   name HG#   )  0.0 1.0 4.0
assign (resid   173 and   name HA  )(resid   173 and   name HE#   )  0.0 1.5 6.0

assign (resid   173 and   name HA  )(resid   130 and   name HA   )  0.0 0.0 3.0
assign (resid   173 and   name HA  )(resid   130 and   name HB#   )  0.0 1.0 5.5
assign (resid   173 and   name HA  )(resid   175 and   name HG2#   )  0.0 1.5 6.5
assign (resid   173 and   name HB#  )(resid   171 and   name HB#  )  0.0 2.0 5.5

!M174
assign (resid   174 and   name HA  )(resid   174 and   name HB#   )  0.0 1.0 4.0
assign (resid   174 and   name HA  )(resid   174 and   name HE#   )  0.0 1.5 6.0

assign (resid   174 and   name HA  )(resid   175 and   name HG#  )  0.0 3.0 7.5
assign (resid   174 and   name HA  )(resid   173 and   name HB#  )  0.0 1.0 5.5
assign (resid   174 and   name HA  )(resid   175 and   name HB  )  0.0 0.0 4.5

!V175
assign (resid   175 and   name HA  )(resid   175 and   name HB  )  0.0 0.0 2.8
assign (resid   175 and   name HA  )(resid   175 and   name HG# )  0.0 3.0 6.0
assign (resid   175 and   name HG2# )(resid   175 and   name HB  )  0.0 1.5 4.5

assign (resid   175 and   name HA  )(resid   128 and   name HB#  )  0.0 1.0 5.5
assign (resid   175 and   name HG1# )(resid   128 and   name HB#  )  0.0 2.5 5.0
assign (resid   175 and   name HG1# )(resid   177 and   name HB#  )  0.0 3.0 7.5
assign (resid   175 and   name HG1# )(resid   162 and   name HB#  )  0.0 2.5 7.5
assign (resid   175 and   name HG2# )(resid   174 and   name HB#  )  0.0 2.5 7.5
assign (resid   175 and   name HG2# )(resid   163 and   name HB#  )  0.0 2.5 7.0

!I176
assign (resid   176 and   name HA  )(resid   176 and   name HB  )  0.0 0.0 3.0
assign (resid   176 and   name HA  )(resid   176 and   name HG1#  )  0.0 1.0 4.5
assign (resid   176 and   name HA  )(resid   176 and   name HG2#  )  0.0 1.5 5.5
assign (resid   176 and   name HA  )(resid   176 and   name HD1#  )  0.0 1.5 5.5

assign (resid   176 and   name HD1#  )(resid   174 and   name HB#  )  0.0 2.5 7.0
assign (resid   176 and   name HD1#  )(resid   160 and   name HA  )  0.0 1.5 6.5
assign (resid   176 and   name HB  )(resid   127 and   name HB#  )  0.0 1.5 5.5
assign (resid   176 and   name HG2# )(resid   121 and   name HD#  )  0.0 4.5 8.5
assign (resid   176 and   name HG2# )(resid   159 and   name HA# )  0.0 2.5 6.0
assign (resid   176 and   name HG2# )(resid   156 and   name HG# )  0.0 4.5 9.5

!A177
assign (resid   177 and   name HA  )(resid   177 and   name HB#  )  0.0 1.5 4.5

assign (resid   177 and   name HA  )(resid   126 and   name HA  )  0.0 0.0 3.5
assign (resid   177 and   name HA  )(resid   178 and   name HD#  )  0.0 1.0 3.5
assign (resid   177 and   name HA  )(resid   175 and   name HG#  )  0.0 3.0 8.0
assign (resid   177 and   name HB# )(resid   162 and   name HB#  )  0.0 2.5 6.5
assign (resid   177 and   name HB# )(resid   175 and   name HG1#  )  0.0 3.0 7.5
assign (resid   177 and   name HB# )(resid   178 and   name HD#  )  0.0 2.5 5.5

*********************************************************************************


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