NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
574097 2mjb cing 1-original 13 XPLOR/CNS dipolar coupling


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   CB)  1.6670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   CB)  2.0980  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   CB)  1.5750  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   CB)  1.4430  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   CB)  1.1530  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   CB) -0.6660  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   CB)  0.0270  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   CB) -0.9520  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   CB)  0.6260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   CB)  1.2600  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   CB) -0.9920  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   CB)  0.5390  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   CB)  0.6610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   CB)  1.3180  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   CB)  0.6140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   CB)  1.3580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   CB)  2.4970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   CB)  1.2690  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   CB)  0.0140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   CB) -0.4080  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   CB) -0.4270  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   CB) -0.6910  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   CB) -1.9470  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   CB) -1.4360  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   CB) -0.2730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   CB)  1.5500  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   CB) -2.5000  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   CB)  0.6950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   CB) -1.1830  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   CB) -1.0310  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   CB)  1.7140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   CB) -0.9260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   CB)  0.6450  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   CB) -2.0780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   CB)  0.1580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   CB)  1.5560  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   CB)  1.0670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   CB)  2.2970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   CB)  1.8100  0.0000  0.0000

!assign ( resid   500 and name   OO)
!       ( resid   500 and name    Z)
!       ( resid   500 and name    X)
!       ( resid   500 and name    Y)
!       ( resid    71 and name   CA)
!       ( resid    71 and name   CB)  0.8130  0.0000  0.0000

!assign ( resid   500 and name   OO)
!       ( resid   500 and name    Z)
!       ( resid   500 and name    X)
!       ( resid   500 and name    Y)
!       ( resid    72 and name   CA)
!       ( resid    72 and name   CB)  1.3060  0.0000  0.0000

! M1-ch1 val=-16.4200 values=-16.420000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CE)
       ( resid     1 and name   SD) -21.6620 100.0000  0.0000
! M1-ch3 val=-21.6620 values=21.662001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CG)
       ( resid     1 and name  HG#) -10.5075 100.0000  0.0000
! M1-ch2 val=-10.5075 values=-10.184000 -10.831000

! Q2-ch1 val=7.6090 values=7.609000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CB)
       ( resid     2 and name  HB#) -14.9200 100.0000  0.0000
! Q2-ch2 val=-14.9200 values=-14.920000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CG)
       ( resid     2 and name  HG#) -7.9600 100.0000  0.0000
! Q2-ch2 val=-7.9600 values=-7.960000

! I3-ch1 val=12.1850 values=12.185000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CD1)
       ( resid     3 and name  CG1) -1.8480 100.0000  0.0000
! I3-ch3 val=-1.8480 values=1.848000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CG2)
       ( resid     3 and name   CB) -14.2890  0.0000  0.0000
! I3-ch3 val=-14.2890 values=14.289000

! F4-ch1 val=26.2980 values=26.298000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CB)
       ( resid     4 and name  HB#)  8.2700  0.0000  0.0000
! F4-ch2 val=8.2700 values=7.212000 9.328000

! V5-ch1 val=23.6130 values=23.613001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG1)
       ( resid     5 and name   CB) -29.1260  0.0000  0.0000
! V5-ch3 val=-29.1260 values=29.125999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG2)
       ( resid     5 and name   CB) -4.4770  0.0000  0.0000
! V5-ch3 val=-4.4770 values=4.477000

! K6-ch1 val=17.9660 values=17.966000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CB)
       ( resid     6 and name  HB#) -12.5715 100.0000  0.0000
! K6-ch2 val=-12.5715 values=-12.539000 -12.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CD)
       ( resid     6 and name  HD#) -13.2940 100.0000  0.0000
! K6-ch2 val=-13.2940 values=-13.294000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CG)
       ( resid     6 and name  HG#) -13.4215 100.0000  0.0000
! K6-ch2 val=-13.4215 values=-13.433000 -13.410000

! T7-ch1 val=16.8620 values=16.862000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CB)
       ( resid     7 and name   HB) -27.8780  0.0000  0.0000
! T7-ch1 val=-27.8780 values=-27.878000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name  CG2)
       ( resid     7 and name   CB) -1.1490  0.0000  0.0000
! T7-ch3 val=-1.1490 values=1.149000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CB)
       ( resid     8 and name  HB#) 10.5070  0.0000 100.0000
! L8-ch2 val=10.5070 values=10.315000 10.699000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD1)
       ( resid     8 and name   CG) -7.1750 100.0000  0.0000
! L8-ch3 val=-7.1750 values=7.175000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD2)
       ( resid     8 and name   CG)  4.7540  0.0000 100.0000
! L8-ch3 val=4.7540 values=-4.754000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CG)
       ( resid     8 and name   HG) -5.1250 100.0000  0.0000
! L8-ch1 val=-5.1250 values=-5.125000

! T9-ch1 val=-11.4530 values=-11.453000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CB)
       ( resid     9 and name   HB) 14.0740  0.0000  0.0000
! T9-ch1 val=14.0740 values=14.074000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name  CG2)
       ( resid     9 and name   CB) -17.8540  0.0000  0.0000
! T9-ch3 val=-17.8540 values=17.854000

! G10-ch2 val=25.4175 values=25.452999 25.382000

! K11-ch1 val=9.0170 values=9.017000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CB)
       ( resid    11 and name  HB#) -13.5035 100.0000  0.0000
! K11-ch2 val=-13.5035 values=-13.270000 -13.737000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CD)
       ( resid    11 and name  HD#) -9.0460 100.0000  0.0000
! K11-ch2 val=-9.0460 values=-9.046000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CG)
       ( resid    11 and name  HG#) -8.0310 100.0000  0.0000
! K11-ch2 val=-8.0310 values=-8.407000 -7.655000

! T12-ch1 val=11.3000 values=11.300000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CB)
       ( resid    12 and name   HB) 10.7700  0.0000  0.0000
! T12-ch1 val=10.7700 values=10.770000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name  CG2)
       ( resid    12 and name   CB) -14.2100  0.0000  0.0000
! T12-ch3 val=-14.2100 values=14.210000

! I13-ch1 val=18.3460 values=18.346001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CB)
       ( resid    13 and name   HB) 15.2810  0.0000 100.0000
! I13-ch1 val=15.2810 values=15.281000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CD1)
       ( resid    13 and name  CG1) -0.8110 100.0000  0.0000
! I13-ch3 val=-0.8110 values=0.811000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CG2)
       ( resid    13 and name   CB)  4.2910  0.0000 100.0000
! I13-ch3 val=4.2910 values=-4.291000

! T14-ch1 val=24.7330 values=24.733000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CB)
       ( resid    14 and name   HB) 14.8510  0.0000 100.0000
! T14-ch1 val=14.8510 values=14.851000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name  CG2)
       ( resid    14 and name   CB) -20.9350 100.0000  0.0000
! T14-ch3 val=-20.9350 values=20.934999

! L15-ch1 val=22.8980 values=22.898001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CB)
       ( resid    15 and name  HB#) 31.8975  0.0000 100.0000
! L15-ch2 val=31.8975 values=31.964001 31.830999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name  CD2)
       ( resid    15 and name   CG) 11.5980  0.0000 100.0000
! L15-ch3 val=11.5980 values=-11.598000

! E16-ch1 val=8.3010 values=8.301000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CB)
       ( resid    16 and name  HB#)  6.3575  0.0000 100.0000
! E16-ch2 val=6.3575 values=6.499000 6.216000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CG)
       ( resid    16 and name  HG#) 18.2715  0.0000 100.0000
! E16-ch2 val=18.2715 values=18.537001 18.006001

! V17-ch1 val=17.9190 values=17.919001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG1)
       ( resid    17 and name   CB) -28.5110  0.0000  0.0000
! V17-ch3 val=-28.5110 values=28.511000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG2)
       ( resid    17 and name   CB) 17.2740  0.0000  0.0000
! V17-ch3 val=17.2740 values=-17.274000

! E18-ch1 val=-14.9170 values=-14.917000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name  HB#) -25.0837  0.0000  0.0000
! E18-ch2 val=-25.0837 values=-24.329000 -24.112000 -25.327999 -26.566000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CG)
       ( resid    18 and name  HG#)  6.7505  0.0000 100.0000
! E18-ch2 val=6.7505 values=6.908000 6.593000

! P19-ch1 val=-6.8720 values=-6.872000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CD)
       ( resid    19 and name  HD#) 21.5830  0.0000 100.0000
! P19-ch2 val=21.5830 values=21.684999 21.481001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CG)
       ( resid    19 and name  HG#) -18.8950 100.0000  0.0000
! P19-ch2 val=-18.8950 values=-18.895000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CB)
       ( resid    20 and name  HB#) -7.3207  0.0000  0.0000
! S20-ch2 val=-7.3207 values=-7.429000 -7.258000 -7.275000

! D21-ch1 val=24.8860 values=24.886000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CB)
       ( resid    21 and name  HB#) -21.1605  0.0000  0.0000
! D21-ch2 val=-21.1605 values=-21.020000 -21.301001

! T22-ch1 val=20.3720 values=20.372000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CB)
       ( resid    22 and name   HB) -17.7980  0.0000  0.0000
! T22-ch1 val=-17.7980 values=-17.798000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name  CG2)
       ( resid    22 and name   CB) -2.9040  0.0000  0.0000
! T22-ch3 val=-2.9040 values=2.904000

! I23-ch1 val=6.7800 values=6.780000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CB)
       ( resid    23 and name   HB) 10.3140  0.0000  0.0000
! I23-ch1 val=10.3140 values=10.314000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CD1)
       ( resid    23 and name  CG1)  4.7740  0.0000 100.0000
! I23-ch3 val=4.7740 values=-4.774000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG1)
       ( resid    23 and name HG1#) -0.8130 100.0000  0.0000
! I23-ch2 val=-0.8130 values=-1.081000 -0.545000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG2)
       ( resid    23 and name   CB) -22.0290  0.0000  0.0000
! I23-ch3 val=-22.0290 values=22.028999

! E24-ch1 val=-28.1920 values=-28.191999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CB)
       ( resid    24 and name  HB#) -12.1300 100.0000  0.0000
! E24-ch2 val=-12.1300 values=-12.130000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CG)
       ( resid    24 and name  HG#) -5.0340 100.0000  0.0000
! E24-ch2 val=-5.0340 values=-5.310000 -4.758000

! N25-ch1 val=15.1620 values=15.162000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CB)
       ( resid    25 and name  HB#) 22.4175  0.0000 100.0000
! N25-ch2 val=22.4175 values=22.490000 22.344999

! V26-ch1 val=-5.2050 values=-5.205000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CB)
       ( resid    26 and name   HB) -2.7790  0.0000  0.0000
! V26-ch1 val=-2.7790 values=-2.779000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG1)
       ( resid    26 and name   CB) 13.3600  0.0000  0.0000
! V26-ch3 val=13.3600 values=-13.360000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG2)
       ( resid    26 and name   CB) -34.5910  0.0000  0.0000
! V26-ch3 val=-34.5910 values=34.591000

! K27-ch1 val=15.6350 values=15.635000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CB)
       ( resid    27 and name  HB#) -12.9125  0.0000  0.0000
! K27-ch2 val=-12.9125 values=-12.153000 -13.672000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CE)
       ( resid    27 and name  HE#) -10.5870 100.0000  0.0000
! K27-ch2 val=-10.5870 values=-10.587000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CG)
       ( resid    27 and name  HG#) 28.4600  0.0000 100.0000
! K27-ch2 val=28.4600 values=28.212000 28.708000

! A28-ch1 val=-36.4040 values=-36.403999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CB)
       ( resid    28 and name   CA)  3.0000  0.0000  0.0000
! A28-ch3 val=3.0000 values=-3.000000

! K29-ch1 val=23.0280 values=23.028000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CD)
       ( resid    29 and name  HD#) 26.3010  0.0000 100.0000
! K29-ch2 val=26.3010 values=26.301001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CE)
       ( resid    29 and name  HE#) 14.6780  0.0000 100.0000
! K29-ch2 val=14.6780 values=14.678000

! I30-ch1 val=5.2260 values=5.226000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CB)
       ( resid    30 and name   HB) 11.7760  0.0000  0.0000
! I30-ch1 val=11.7760 values=11.776000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CD1)
       ( resid    30 and name  CG1) 18.2170  0.0000 100.0000
! I30-ch3 val=18.2170 values=-18.216999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG1)
       ( resid    30 and name HG1#) -5.8790 100.0000  0.0000
! I30-ch2 val=-5.8790 values=-5.879000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG2)
       ( resid    30 and name   CB) -18.7680  0.0000  0.0000
! I30-ch3 val=-18.7680 values=18.768000

! Q31-ch1 val=-22.9430 values=-22.943001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CB)
       ( resid    31 and name  HB#) -9.8110  0.0000  0.0000
! Q31-ch2 val=-9.8110 values=-9.811000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CG)
       ( resid    31 and name  HG#) -7.6600 100.0000  0.0000
! Q31-ch2 val=-7.6600 values=-7.701000 -7.619000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   CB)
       ( resid    32 and name  HB#) 18.8520  0.0000 100.0000
! D32-ch2 val=18.8520 values=18.851999

! K33-ch1 val=14.5000 values=14.500000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CB)
       ( resid    33 and name  HB#) 20.8190  0.0000  0.0000
! K33-ch2 val=20.8190 values=20.757000 20.881001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CD)
       ( resid    33 and name  HD#) 17.0990  0.0000 100.0000
! K33-ch2 val=17.0990 values=17.099001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CE)
       ( resid    33 and name  HE#) 13.6080  0.0000 100.0000
! K33-ch2 val=13.6080 values=13.608000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CG)
       ( resid    33 and name  HG#) 22.1710  0.0000 100.0000
! K33-ch2 val=22.1710 values=22.171000

! E34-ch1 val=16.4780 values=16.478001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CB)
       ( resid    34 and name  HB#) -17.1470 100.0000  0.0000
! E34-ch2 val=-17.1470 values=-17.964001 -16.330000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CG)
       ( resid    34 and name  HG#)  8.7730  0.0000 100.0000
! E34-ch2 val=8.7730 values=8.773000

! G35-ch2 val=16.1235 values=16.230000 16.017000

! I36-ch1 val=-37.9860 values=-37.986000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CB)
       ( resid    36 and name   HB) -33.2470  0.0000  0.0000
! I36-ch1 val=-33.2470 values=-33.247002

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CD1)
       ( resid    36 and name  CG1) -4.6110 100.0000  0.0000
! I36-ch3 val=-4.6110 values=4.611000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CG2)
       ( resid    36 and name   CB) -0.7670  0.0000  0.0000
! I36-ch3 val=-0.7670 values=0.767000

! P37-ch1 val=-3.4290 values=-3.429000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CD)
       ( resid    37 and name  HD#) 31.2950  0.0000 100.0000
! P37-ch2 val=31.2950 values=31.368999 31.221001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CG)
       ( resid    37 and name  HG#) -13.3880 100.0000  0.0000
! P37-ch2 val=-13.3880 values=-13.388000

! P38-ch1 val=3.8040 values=3.804000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CD)
       ( resid    38 and name  HD#)  8.2410  0.0000 100.0000
! P38-ch2 val=8.2410 values=8.241000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CG)
       ( resid    38 and name  HG#) -3.8770 100.0000  0.0000
! P38-ch2 val=-3.8770 values=-3.877000

! D39-ch1 val=5.4760 values=5.476000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CB)
       ( resid    39 and name  HB#)  4.5755  0.0000 100.0000
! D39-ch2 val=4.5755 values=4.530000 4.621000

! Q40-ch1 val=-11.6040 values=-11.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CB)
       ( resid    40 and name  HB#)  5.9250  0.0000  0.0000
! Q40-ch2 val=5.9250 values=5.925000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CG)
       ( resid    40 and name  HG#) 12.3350  0.0000 100.0000
! Q40-ch2 val=12.3350 values=12.335000

! Q41-ch1 val=11.7480 values=11.748000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   CG)
       ( resid    41 and name  HG#)  5.8290  0.0000 100.0000
! Q41-ch2 val=5.8290 values=5.829000

! R42-ch1 val=12.5700 values=12.570000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CB)
       ( resid    42 and name  HB#) 11.0390  0.0000 100.0000
! R42-ch2 val=11.0390 values=11.007000 11.071000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CD)
       ( resid    42 and name  HD#)  5.5520  0.0000 100.0000
! R42-ch2 val=5.5520 values=5.552000

! L43-ch1 val=14.8130 values=14.813000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CB)
       ( resid    43 and name  HB#) -4.1140  0.0000  0.0000
! L43-ch2 val=-4.1140 values=-4.114000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD1)
       ( resid    43 and name   CG) -9.8150 100.0000  0.0000
! L43-ch3 val=-9.8150 values=9.815000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD2)
       ( resid    43 and name   CG)  9.5000  0.0000 100.0000
! L43-ch3 val=9.5000 values=-9.500000

! I44-ch1 val=16.8520 values=16.851999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   CB)
       ( resid    44 and name   HB) 15.4970  0.0000 100.0000
! I44-ch1 val=15.4970 values=15.497000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CD1)
       ( resid    44 and name  CG1) -5.4430 100.0000  0.0000
! I44-ch3 val=-5.4430 values=5.443000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG1)
       ( resid    44 and name HG1#) 30.8570  0.0000 100.0000
! I44-ch2 val=30.8570 values=30.857000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG2)
       ( resid    44 and name   CB) 20.0240  0.0000 100.0000
! I44-ch3 val=20.0240 values=-20.024000

! F45-ch1 val=17.0260 values=17.025999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CB)
       ( resid    45 and name  HB#) 40.9320  0.0000  0.0000
! F45-ch2 val=40.9320 values=41.067001 41.382000 40.347000

! A46-ch1 val=16.8020 values=16.802000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CB)
       ( resid    46 and name   CA) -28.5610  0.0000  0.0000
! A46-ch3 val=-28.5610 values=28.561001

! G47-ch2 val=7.6990 values=7.826000 7.572000

! K48-ch1 val=-14.5340 values=-14.534000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CB)
       ( resid    48 and name  HB#)  8.5390  0.0000 100.0000
! K48-ch2 val=8.5390 values=8.539000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CD)
       ( resid    48 and name  HD#)  3.5910  0.0000 100.0000
! K48-ch2 val=3.5910 values=3.591000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CE)
       ( resid    48 and name  HE#)  0.8070  0.0000 100.0000
! K48-ch2 val=0.8070 values=0.807000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CG)
       ( resid    48 and name  HG#)  0.4770  0.0000 100.0000
! K48-ch2 val=0.4770 values=0.477000

! Q49-ch1 val=17.0350 values=17.035000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CB)
       ( resid    49 and name  HB#) 25.0790  0.0000 100.0000
! Q49-ch2 val=25.0790 values=25.079000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CG)
       ( resid    49 and name  HG#) 12.7450  0.0000 100.0000
! Q49-ch2 val=12.7450 values=12.745000

! L50-ch1 val=2.1020 values=2.102000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CB)
       ( resid    50 and name  HB#) -5.7340  0.0000  0.0000
! L50-ch2 val=-5.7340 values=-5.706000 -5.762000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD1)
       ( resid    50 and name   CG)  0.5800  0.0000 100.0000
! L50-ch3 val=0.5800 values=-0.580000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD2)
       ( resid    50 and name   CG)  3.3880  0.0000 100.0000
! L50-ch3 val=3.3880 values=-3.388000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CG)
       ( resid    50 and name   HG) -14.1220 100.0000  0.0000
! L50-ch1 val=-14.1220 values=-14.122000

! E51-ch1 val=-36.6040 values=-36.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CB)
       ( resid    51 and name  HB#) -19.3470  0.0000  0.0000
! E51-ch2 val=-19.3470 values=-19.429001 -19.264999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CG)
       ( resid    51 and name  HG#) -0.2000 100.0000  0.0000
! E51-ch2 val=-0.2000 values=-0.200000

! D52-ch1 val=4.6550 values=4.655000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   CB)
       ( resid    52 and name  HB#) 17.7295  0.0000  0.0000
! D52-ch2 val=17.7295 values=17.011999 18.447001

! G53-ch2 val=29.1760 values=28.709999 29.642000

! R54-ch1 val=-3.0650 values=-3.065000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CD)
       ( resid    54 and name  HD#) -6.1905 100.0000  0.0000
! R54-ch2 val=-6.1905 values=-6.238000 -6.143000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CG)
       ( resid    54 and name  HG#) -13.1280 100.0000  0.0000
! R54-ch2 val=-13.1280 values=-12.735000 -13.521000

! T55-ch1 val=12.8990 values=12.899000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CB)
       ( resid    55 and name   HB)  2.5940  0.0000  0.0000
! T55-ch1 val=2.5940 values=2.594000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name  CG2)
       ( resid    55 and name   CB) 19.1080  0.0000  0.0000
! T55-ch3 val=19.1080 values=-19.108000

! L56-ch1 val=-20.8260 values=-20.826000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CB)
       ( resid    56 and name  HB#) -4.7250  0.0000  0.0000
! L56-ch2 val=-4.7250 values=-4.617000 -4.833000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name  CD2)
       ( resid    56 and name   CG) -14.2760 100.0000  0.0000
! L56-ch3 val=-14.2760 values=14.276000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CG)
       ( resid    56 and name   HG) 15.1140  0.0000 100.0000
! L56-ch1 val=15.1140 values=15.114000

! S57-ch1 val=8.9290 values=8.929000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CB)
       ( resid    57 and name  HB#) 12.4205  0.0000 100.0000
! S57-ch2 val=12.4205 values=12.436000 12.405000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   CB)
       ( resid    58 and name  HB#)  1.1525  0.0000  0.0000
! D58-ch2 val=1.1525 values=1.382000 0.923000

! Y59-ch1 val=17.2540 values=17.254000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CB)
       ( resid    59 and name  HB#) 37.2218  0.0000  0.0000
! Y59-ch2 val=37.2218 values=37.435001 39.445000 36.182999 35.824001

! N60-ch1 val=-20.7590 values=-20.759001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CB)
       ( resid    60 and name  HB#) -10.5545 100.0000  0.0000
! N60-ch2 val=-10.5545 values=-10.654000 -10.675000 -10.593000 -10.296000

! I61-ch1 val=18.9480 values=18.948000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CB)
       ( resid    61 and name   HB) 17.5490  0.0000  0.0000
! I61-ch1 val=17.5490 values=17.549000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CD1)
       ( resid    61 and name  CG1) -12.4080 100.0000  0.0000
! I61-ch3 val=-12.4080 values=12.408000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG1)
       ( resid    61 and name HG1#) 34.2115  0.0000 100.0000
! I61-ch2 val=34.2115 values=34.332001 34.091000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG2)
       ( resid    61 and name   CB) 15.8410  0.0000  0.0000
! I61-ch3 val=15.8410 values=-15.841000

! Q62-ch1 val=5.4260 values=5.426000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CB)
       ( resid    62 and name  HB#) -20.8790  0.0000  0.0000
! Q62-ch2 val=-20.8790 values=-20.681000 -21.077000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CG)
       ( resid    62 and name  HG#) -13.2400 100.0000  0.0000
! Q62-ch2 val=-13.2400 values=-13.240000

! K63-ch1 val=6.7040 values=6.704000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CB)
       ( resid    63 and name  HB#) 26.4620  0.0000  0.0000
! K63-ch2 val=26.4620 values=27.448999 25.475000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CD)
       ( resid    63 and name  HD#) 22.7930  0.0000 100.0000
! K63-ch2 val=22.7930 values=22.792999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CE)
       ( resid    63 and name  HE#)  8.5250  0.0000 100.0000
! K63-ch2 val=8.5250 values=8.525000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CG)
       ( resid    63 and name  HG#) 25.6110  0.0000 100.0000
! K63-ch2 val=25.6110 values=25.611000

! E64-ch1 val=6.7840 values=6.784000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CB)
       ( resid    64 and name  HB#)  4.9580  0.0000  0.0000
! E64-ch2 val=4.9580 values=5.114000 4.802000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CG)
       ( resid    64 and name  HG#) -6.4820 100.0000  0.0000
! E64-ch2 val=-6.4820 values=-6.630000 -6.334000

! S65-ch1 val=25.4700 values=25.469999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CB)
       ( resid    65 and name  HB#) -4.5680  0.0000  0.0000
! S65-ch2 val=-4.5680 values=-4.303000 -4.833000

! T66-ch1 val=26.9410 values=26.941000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CB)
       ( resid    66 and name   HB) 24.3240  0.0000  0.0000
! T66-ch1 val=24.3240 values=24.323999

! L67-ch1 val=23.7840 values=23.784000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD1)
       ( resid    67 and name   CG) -6.8890 100.0000  0.0000
! L67-ch3 val=-6.8890 values=6.889000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD2)
       ( resid    67 and name   CG) 16.0200  0.0000 100.0000
! L67-ch3 val=16.0200 values=-16.020000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CG)
       ( resid    67 and name   HG)  4.1930  0.0000 100.0000
! L67-ch1 val=4.1930 values=4.193000

! H68-ch1 val=17.0500 values=17.049999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CB)
       ( resid    68 and name  HB#) -19.4268  0.0000  0.0000
! H68-ch2 val=-19.4268 values=-19.275999 -20.186001 -18.929001 -19.316000

! L69-ch1 val=15.7550 values=15.755000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD1)
       ( resid    69 and name   CG)  2.6550  0.0000 100.0000
! L69-ch3 val=2.6550 values=-2.655000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD2)
       ( resid    69 and name   CG) 18.2170  0.0000 100.0000
! L69-ch3 val=18.2170 values=-18.216999

! V70-ch1 val=13.8650 values=13.865000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CB)
       ( resid    70 and name   HB) -10.1820 100.0000  0.0000
! V70-ch1 val=-10.1820 values=-10.182000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name  CG2)
       ( resid    70 and name   CB)  8.2060  0.0000 100.0000
! V70-ch3 val=8.2060 values=-8.206000


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN) -15.5240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN) 10.5210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN)  9.6480  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  6.0820  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN)  3.8540  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -3.4030  0.0000  0.0000
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN) 15.0550  0.0000  0.0000
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -16.9380  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN)  2.5050  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN)  0.7000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN)  6.4350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN) 14.1970  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  0.0770  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)  1.9640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -20.1150  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -12.0890  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)  4.5830  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 23.7300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN)  3.8320  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN) -2.5470  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN)  3.1720  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN)  5.0740  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN) -1.7580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN)  2.7170  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN)  3.6190  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN)  4.8700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN) -3.4660  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN)  3.3580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN)  4.3640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN) -13.4890  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -24.3680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN) 17.7240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)  0.1560  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN) 26.4000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN) 11.6070  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN) 13.3300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN)  4.3690  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN) -2.9960  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN)  1.1860  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN)  4.3860  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -22.9700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN) -2.8300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN)  3.9210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN) -5.5300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN)  2.2540  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN) 19.0410  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN) 25.2620  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN) 12.0820  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN) 12.0290  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN) 25.0310  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN) 19.0710  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN) 16.2550  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -15.4330  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN) 22.5970  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN) 19.7520  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN) 16.2160  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  8.1350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN)  4.5680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  6.5650  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN) 13.4970  0.0000  0.0000




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