NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
574101 2mjb cing 1-original 17 XPLOR/CNS dipolar coupling


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA) -38.3410  0.0000  0.0000
! M1-ch1 val=-38.3410 values=-38.341

! M1-ch2 val=8.9955 values=7.990 10.001

! M1-ch3 val=-39.6983 values=39.655 39.415 40.025

! M1-ch2 val=9.1000 values=9.219 8.981

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   CA)
       ( resid     2 and name   HA) 11.6620  0.0000  0.0000
! Q2-ch1 val=11.6620 values=11.662

! Q2-ch2 val=-10.6340 values=-10.634

! Q2-ch2 val=-4.2070 values=-4.207

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   CA)
       ( resid     3 and name   HA) 18.4240  0.0000  0.0000
! I3-ch1 val=18.4240 values=18.424

! I3-ch1 val=15.5680 values=15.568

! I3-ch3 val=-17.5370 values=17.537

! I3-ch3 val=-19.4550 values=19.455

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   CA)
       ( resid     4 and name   HA) 26.7330  0.0000  0.0000
! F4-ch1 val=26.7330 values=26.733

! F4-ch2 val=11.2500 values=11.250

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   CA)
       ( resid     5 and name   HA) 15.7480  0.0000  0.0000
! V5-ch1 val=15.7480 values=15.748

! V5-ch1 val=12.6700 values=12.670

! V5-ch3 val=-43.6800 values=43.680

! V5-ch3 val=9.2710 values=-9.271

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   CA)
       ( resid     6 and name   HA)  2.5090  0.0000  0.0000
! K6-ch1 val=2.5090 values=2.509

! K6-ch2 val=-31.7305 values=-30.770 -32.691

! K6-ch2 val=-17.3550 values=-17.355

! K6-ch2 val=-19.5085 values=-19.797 -19.220

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   CA)
       ( resid     7 and name   HA) 14.9370  0.0000  0.0000
! T7-ch1 val=14.9370 values=14.937

! T7-ch1 val=-48.0810 values=-48.081

! T7-ch3 val=17.4050 values=-17.405

! L8-ch2 val=29.4665 values=29.566 29.367

! L8-ch3 val=-15.5190 values=15.519

! L8-ch3 val=4.1880 values=-4.188

! L8-ch1 val=6.0240 values=6.024

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA)  3.5650  0.0000  0.0000
! T9-ch1 val=3.5650 values=3.565

! T9-ch1 val=16.2220 values=16.222

! T9-ch3 val=-33.9063 values=33.970 33.982 33.767
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name  HA#) 39.0840  0.0000  0.0000
! G10-ch2 val=39.0840 values=39.170 38.998
}
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   CA)
       ( resid    11 and name   HA)  1.0560  0.0000  0.0000
! K11-ch1 val=1.0560 values=1.056

! K11-ch2 val=-23.8850 values=-22.558 -25.212

! K11-ch2 val=-18.0700 values=-18.070

! K11-ch2 val=-17.1395 values=-16.879 -17.400

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   CA)
       ( resid    12 and name   HA) -6.1170  0.0000  0.0000
! T12-ch1 val=-6.1170 values=-6.117

! T12-ch1 val=-2.8050 values=-2.805

! T12-ch3 val=-14.7450 values=14.745

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   CA)
       ( resid    13 and name   HA)  4.8300  0.0000  0.0000
! I13-ch1 val=4.8300 values=4.830

! I13-ch1 val=14.5080 values=14.508

! I13-ch3 val=-7.1490 values=7.149

! I13-ch3 val=20.9390 values=-20.939

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   CA)
       ( resid    14 and name   HA) 23.5740  0.0000  0.0000
! T14-ch1 val=23.5740 values=23.574

! T14-ch1 val=14.6880 values=14.688

! T14-ch3 val=-24.5850 values=24.585

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   CA)
       ( resid    15 and name   HA) 23.3020  0.0000  0.0000
! L15-ch1 val=23.3020 values=23.302

! L15-ch2 val=61.5245 values=60.793 62.256

! L15-ch3 val=-8.1360 values=8.136

! L15-ch3 val=11.0130 values=-11.013

! L15-ch1 val=49.7960 values=49.796

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   CA)
       ( resid    16 and name   HA) 13.2060  0.0000  0.0000
! E16-ch1 val=13.2060 values=13.206

! E16-ch2 val=12.9725 values=12.151 13.794

! E16-ch2 val=24.3595 values=24.397 24.322

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   CA)
       ( resid    17 and name   HA) 35.1920  0.0000  0.0000
! V17-ch1 val=35.1920 values=35.192

! V17-ch3 val=-42.9800 values=42.980

! V17-ch3 val=33.7420 values=-33.742

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   CA)
       ( resid    18 and name   HA) -31.2130  0.0000  0.0000
! E18-ch1 val=-31.2130 values=-31.213

! E18-ch2 val=-51.3275 values=-50.874 -51.024 -51.469 -51.943

! E18-ch2 val=21.6410 values=21.525 21.757

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) 15.6470  0.0000  0.0000
! P19-ch1 val=15.6470 values=15.647

! P19-ch2 val=45.1180 values=45.792 44.444

! P19-ch2 val=-7.5320 values=-7.532

! S20-ch2 val=-18.8457 values=-18.665 -18.689 -19.183

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   CA)
       ( resid    21 and name   HA) 57.9710  0.0000  0.0000
! D21-ch1 val=57.9710 values=57.971

! D21-ch2 val=-14.1055 values=-13.534 -14.677

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   CA)
       ( resid    22 and name   HA) 17.7730  0.0000  0.0000
! T22-ch1 val=17.7730 values=17.773

! T22-ch1 val=-31.2900 values=-31.290

! T22-ch3 val=8.7770 values=-8.777

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   CA)
       ( resid    23 and name   HA)  0.9870  0.0000  0.0000
! I23-ch1 val=0.9870 values=0.987

! I23-ch1 val=7.5380 values=7.538

! I23-ch3 val=11.7780 values=-11.778

! I23-ch2 val=7.9175 values=8.129 7.706

! I23-ch3 val=-17.7190 values=17.719

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -25.1210  0.0000  0.0000
! E24-ch1 val=-25.1210 values=-25.121

! E24-ch2 val=-24.9720 values=-24.972

! E24-ch2 val=-9.0610 values=-9.061

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   CA)
       ( resid    25 and name   HA) 19.7520  0.0000  0.0000
! N25-ch1 val=19.7520 values=19.752

! N25-ch2 val=15.4255 values=15.395 15.456

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   CA)
       ( resid    26 and name   HA) -26.4110  0.0000  0.0000
! V26-ch1 val=-26.4110 values=-26.411

! V26-ch1 val=-23.0820 values=-23.082

! V26-ch3 val=35.5400 values=-35.540

! V26-ch3 val=-50.2690 values=50.269

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   CA)
       ( resid    27 and name   HA) 45.4920  0.0000  0.0000
! K27-ch1 val=45.4920 values=45.492

! K27-ch2 val=1.1020 values=1.102

! K27-ch2 val=-0.0350 values=-0.035

! K27-ch2 val=26.3995 values=26.428 26.371

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   CA)
       ( resid    28 and name   HA) -55.4750  0.0000  0.0000
! A28-ch1 val=-55.4750 values=-55.475

! A28-ch3 val=30.8390 values=-30.839

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   CA)
       ( resid    29 and name   HA) 36.7620  0.0000  0.0000
! K29-ch1 val=36.7620 values=36.762

! K29-ch2 val=32.9330 values=34.813 31.053

! K29-ch2 val=27.0755 values=26.197 27.954

! K29-ch2 val=9.3200 values=9.320

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   CA)
       ( resid    30 and name   HA) -4.6110  0.0000  0.0000
! I30-ch1 val=-4.6110 values=-4.611

! I30-ch1 val=6.7150 values=6.715

! I30-ch3 val=17.1250 values=-17.125

! I30-ch2 val=1.4610 values=3.554 -0.632

! I30-ch3 val=-8.8730 values=8.873

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   CA)
       ( resid    31 and name   HA) -12.9290  0.0000  0.0000
! Q31-ch1 val=-12.9290 values=-12.929

! Q31-ch2 val=-10.8715 values=-10.865 -10.878

! Q31-ch2 val=-8.6350 values=-8.424 -8.846

! D32-ch2 val=26.5700 values=26.570

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   CA)
       ( resid    33 and name   HA)  5.5590  0.0000  0.0000
! K33-ch1 val=5.5590 values=5.559

! K33-ch2 val=28.3235 values=27.973 28.674

! K33-ch2 val=31.9555 values=32.065 31.846

! K33-ch2 val=26.8950 values=26.895

! K33-ch2 val=37.5645 values=37.308 37.821

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   CA)
       ( resid    34 and name   HA) 13.4690  0.0000  0.0000
! E34-ch1 val=13.4690 values=13.469

! E34-ch2 val=-23.8385 values=-23.255 -24.422

! E34-ch2 val=23.2180 values=23.218
{
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   CA)
       ( resid    35 and name  HA#) 46.3340  0.0000  0.0000
! G35-ch2 val=46.3340 values=46.631 46.037
}
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   CA)
       ( resid    36 and name   HA) -53.2910  0.0000  0.0000
! I36-ch1 val=-53.2910 values=-53.291

! I36-ch1 val=-46.3850 values=-46.385

! I36-ch3 val=-2.0820 values=2.082

! I36-ch3 val=-14.5350 values=14.535

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CA)
       ( resid    37 and name   HA)  8.5960  0.0000  0.0000
! P37-ch1 val=8.5960 values=8.596

! P37-ch2 val=44.3750 values=44.400 44.350

! P37-ch2 val=-27.0470 values=-27.047

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA)  7.3470  0.0000  0.0000
! P38-ch1 val=7.3470 values=7.347

! P38-ch2 val=-11.6880 values=-11.688

! P38-ch2 val=10.0195 values=10.281 9.758

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   CA)
       ( resid    39 and name   HA) -3.5740  0.0000  0.0000
! D39-ch1 val=-3.5740 values=-3.574

! D39-ch2 val=11.0470 values=11.198 10.896

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   CA)
       ( resid    40 and name   HA) -29.8800  0.0000  0.0000
! Q40-ch1 val=-29.8800 values=-29.880

! Q40-ch2 val=24.2765 values=23.825 24.728

! Q40-ch2 val=30.0400 values=30.503 29.577

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   CA)
       ( resid    41 and name   HA) 34.5160  0.0000  0.0000
! Q41-ch1 val=34.5160 values=34.516

! Q41-ch2 val=19.0030 values=19.003

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   CA)
       ( resid    42 and name   HA) 33.3530  0.0000  0.0000
! R42-ch1 val=33.3530 values=33.353

! R42-ch2 val=20.0820 values=20.019 20.145

! R42-ch2 val=10.6740 values=10.674

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   CA)
       ( resid    43 and name   HA) 21.3540  0.0000  0.0000
! L43-ch1 val=21.3540 values=21.354

! L43-ch2 val=-14.1410 values=-14.428 -13.854

! L43-ch3 val=1.0600 values=-1.060

! L43-ch3 val=8.9550 values=-8.955

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   CA)
       ( resid    44 and name   HA) 11.5630  0.0000  0.0000
! I44-ch1 val=11.5630 values=11.563

! I44-ch1 val=7.4620 values=7.462

! I44-ch3 val=-15.0920 values=15.092

! I44-ch2 val=47.0570 values=47.132 46.982

! I44-ch3 val=27.1800 values=-27.180

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   CA)
       ( resid    45 and name   HA) 14.7610  0.0000  0.0000
! F45-ch1 val=14.7610 values=14.761

! F45-ch2 val=44.5977 values=44.643 45.975 48.004 39.769

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   CA)
       ( resid    46 and name   HA) 38.0110  0.0000  0.0000
! A46-ch1 val=38.0110 values=38.011

! A46-ch3 val=-39.0033 values=38.802 39.170 39.038
{
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   CA)
       ( resid    47 and name  HA#) 14.9000  0.0000  0.0000
! G47-ch2 val=14.9000 values=14.754 15.046
}
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   CA)
       ( resid    48 and name   HA) -31.3550  0.0000  0.0000
! K48-ch1 val=-31.3550 values=-31.355

! K48-ch2 val=8.2030 values=8.203

! K48-ch2 val=11.9000 values=11.900

! K48-ch2 val=9.1590 values=9.159

! K48-ch2 val=5.4770 values=5.477

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   CA)
       ( resid    49 and name   HA)  6.0800  0.0000  0.0000
! Q49-ch1 val=6.0800 values=6.080

! Q49-ch2 val=39.3920 values=39.635 39.149

! Q49-ch2 val=25.8180 values=25.818

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   CA)
       ( resid    50 and name   HA) -9.5840  0.0000  0.0000
! L50-ch1 val=-9.5840 values=-9.584

! L50-ch2 val=5.2245 values=3.987 6.462

! L50-ch3 val=-5.1240 values=5.124

! L50-ch3 val=-13.9110 values=13.911

! L50-ch1 val=-5.1980 values=-5.198

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -51.5840  0.0000  0.0000
! E51-ch1 val=-51.5840 values=-51.584

! E51-ch2 val=-19.5835 values=-19.915 -19.252

! E51-ch2 val=0.7300 values=0.730

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   CA)
       ( resid    52 and name   HA) -12.8680  0.0000  0.0000
! D52-ch1 val=-12.8680 values=-12.868

! D52-ch2 val=8.5385 values=8.369 8.708
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name  HA#) 31.9180  0.0000  0.0000
! G53-ch2 val=31.9180 values=31.918
}
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   CA)
       ( resid    54 and name   HA)  7.4630  0.0000  0.0000
! R54-ch1 val=7.4630 values=7.463

! R54-ch2 val=0.9325 values=-0.087 1.952

! R54-ch2 val=0.0160 values=0.600 -0.568

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   CA)
       ( resid    55 and name   HA)  6.3810  0.0000  0.0000
! T55-ch1 val=6.3810 values=6.381

! T55-ch1 val=-17.9810 values=-17.981

! T55-ch3 val=47.1040 values=-47.104

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   CA)
       ( resid    56 and name   HA) -12.8750  0.0000  0.0000
! L56-ch1 val=-12.8750 values=-12.875

! L56-ch2 val=23.3050 values=23.470 23.140

! L56-ch3 val=-7.7780 values=7.778

! L56-ch3 val=-6.3150 values=6.315

! L56-ch1 val=34.2020 values=34.202

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   CA)
       ( resid    57 and name   HA) 18.0150  0.0000  0.0000
! S57-ch1 val=18.0150 values=18.015

! S57-ch2 val=-1.3465 values=-1.240 -1.453

! D58-ch2 val=-17.2335 values=-17.450 -17.017

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   CA)
       ( resid    59 and name   HA)  6.6070  0.0000  0.0000
! Y59-ch1 val=6.6070 values=6.607

! Y59-ch2 val=65.9953 values=66.285 67.221 64.130 65.110 66.990 66.236

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   CA)
       ( resid    60 and name   HA) -11.8130  0.0000  0.0000
! N60-ch1 val=-11.8130 values=-11.813

! N60-ch2 val=-6.2847 values=-6.328 -5.654 -6.537 -6.620

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   CA)
       ( resid    61 and name   HA) 55.0880  0.0000  0.0000
! I61-ch1 val=55.0880 values=55.088

! I61-ch1 val=50.1380 values=50.138

! I61-ch3 val=-18.9290 values=18.929

! I61-ch2 val=51.8505 values=51.983 51.718

! I61-ch3 val=7.2580 values=-7.258

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   CA)
       ( resid    62 and name   HA) 35.2320  0.0000  0.0000
! Q62-ch1 val=35.2320 values=35.232

! Q62-ch2 val=-20.1045 values=-19.974 -20.235

! Q62-ch2 val=-18.6033 values=-18.335 -18.397 -19.078

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   CA)
       ( resid    63 and name   HA)  9.2590  0.0000  0.0000
! K63-ch1 val=9.2590 values=9.259

! K63-ch2 val=49.0485 values=47.978 50.119

! K63-ch2 val=41.3515 values=40.695 42.008

! K63-ch2 val=19.2710 values=19.271

! K63-ch2 val=46.2715 values=46.230 46.313

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   CA)
       ( resid    64 and name   HA) -0.6980  0.0000  0.0000
! E64-ch1 val=-0.6980 values=-0.698

! E64-ch2 val=20.0455 values=20.062 20.029

! E64-ch2 val=-8.9150 values=-8.752 -9.078

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   CA)
       ( resid    65 and name   HA) 52.6300  0.0000  0.0000
! S65-ch1 val=52.6300 values=52.630

! S65-ch2 val=5.0125 values=4.913 5.112

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   CA)
       ( resid    66 and name   HA) 34.1840  0.0000  0.0000
! T66-ch1 val=34.1840 values=34.184

! T66-ch1 val=29.2560 values=29.256

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   CA)
       ( resid    67 and name   HA) 21.6690  0.0000  0.0000
! L67-ch1 val=21.6690 values=21.669

! L67-ch3 val=-7.1930 values=7.193

! L67-ch3 val=25.1860 values=-25.186

! L67-ch1 val=-10.3030 values=-10.303

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   CA)
       ( resid    68 and name   HA)  3.3730  0.0000  0.0000
! H68-ch1 val=3.3730 values=3.373

! H68-ch2 val=-44.1967 values=-43.501 -45.223 -44.443 -43.620

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   CA)
       ( resid    69 and name   HA) 22.0290  0.0000  0.0000
! L69-ch1 val=22.0290 values=22.029

! L69-ch2 val=-20.0400 values=-20.040

! L69-ch3 val=14.4860 values=-14.486

! L69-ch3 val=11.6200 values=-11.620

! L69-ch1 val=-30.6190 values=-30.619

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   CA)
       ( resid    70 and name   HA) 23.5720  0.0000  0.0000
! V70-ch1 val=23.5720 values=23.572

! V70-ch1 val=-5.5000 values=-5.500

! V70-ch3 val=10.9620 values=-10.962


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     1 and name    C)  2.6510  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     2 and name    C) -3.7680  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     3 and name    C)  1.4630  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     4 and name    C) -1.7260  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     5 and name    C)  1.3520  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     6 and name    C) -0.6960  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     7 and name    C) -3.2060  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     9 and name    N)
       ( resid     8 and name    C)  1.2110  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    10 and name    C)  2.3210  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    11 and name    C) -3.1490  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    12 and name    C)  1.8270  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    13 and name    C) -0.8580  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    14 and name    C)  0.2780  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    15 and name    C)  2.7750  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    16 and name    C)  0.1620  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    17 and name    C)  1.2490  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    19 and name    C)  3.1870  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    20 and name    C)  0.7060  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    21 and name    C) -1.4740  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    22 and name    C) -0.3480  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    24 and name    C) -3.6590  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    25 and name    C)  2.6860  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    26 and name    C) -2.6300  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    27 and name    C)  2.1180  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    28 and name    C) -1.8550  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    29 and name    C)  0.3950  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    30 and name    C)  1.2950  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    31 and name    C) -2.6540  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    32 and name    C)  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    34 and name    N)
       ( resid    33 and name    C) -1.4000  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    35 and name    N)
       ( resid    34 and name    C)  2.7780  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    35 and name    C)  0.9830  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    38 and name    C) -2.7140  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    39 and name    C)  0.5840  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    40 and name    C) -2.7390  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    41 and name    C)  2.9390  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    42 and name    C) -1.9980  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    43 and name    C)  2.0280  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    44 and name    C) -0.5270  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    45 and name    C)  2.2510  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    46 and name    C) -2.6530  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    47 and name    C)  1.4460  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    48 and name    C) -1.8720  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    49 and name    C)  0.7210  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    51 and name    N)
       ( resid    50 and name    C)  1.0700  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    52 and name    N)
       ( resid    51 and name    C) -0.0240  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    53 and name    C)  2.8180  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    54 and name    C) -3.3800  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    55 and name    C) -0.6720  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    56 and name    C) -0.0670  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    57 and name    C) -2.4320  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    58 and name    C)  0.5460  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    59 and name    C) -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    61 and name    N)
       ( resid    60 and name    C)  0.7990  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    61 and name    C)  0.9570  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    62 and name    C) -2.6880  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    63 and name    C) -0.7630  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    64 and name    C) -0.0100  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    65 and name    C) -0.1630  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    66 and name    C)  0.7850  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    67 and name    C) -2.4370  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    68 and name    C) -0.3870  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    69 and name    C) -1.5070  0.0000  0.0000




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