NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
416591 2dk4 11355 cing 3-converted-DOCR XPLOR/CNS distance general distance ambi


 assi 
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 45   and name  HN  ))

      2.485     0.685     0.685
 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 48   and name  HG# )

      3.060     1.260     1.260
 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 48   and name  HB1 ))

      2.845     1.045     1.045
 assi 
   (  segid "   A" and resid 44   and name  HG# )
   (( segid "   A" and resid 45   and name  HN  ))

      2.740     0.940     0.940
 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))

      2.630     0.830     0.830
 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB1 ))

      2.580     0.780     0.780
 assi 
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 45   and name  HD1#)

      3.080     1.280     1.280
 assi 
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))

      2.655     0.855     0.855
 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 14   and name  HB# )

      2.690     0.890     0.890
 assi 
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))

      2.520     0.720     0.720
 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))

      2.490     0.690     0.690
 assi 
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 23   and name  HN  ))

      2.580     0.780     0.780
 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB2 ))

      2.465     0.665     0.665
 assi 
   (( segid "   A" and resid 52   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HN  ))

      2.620     0.820     0.820
 assi 
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HN  ))

      2.640     0.840     0.840
 assi 
   (( segid "   A" and resid 53   and name  HN  ))
   (  segid "   A" and resid 53   and name  HB# )

      2.470     0.670     0.670
 assi 
   (  segid "   A" and resid 48   and name  HG# )
   (( segid "   A" and resid 53   and name  HN  ))

      3.050     1.250     1.250
 assi 
   (( segid "   A" and resid 48   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.095     1.295     1.295
 assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HG2 ))

      3.215     1.415     1.415
 assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB2 ))

      2.500     0.700     0.700
 assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB1 ))

      2.550     0.750     0.750
 assi 
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 16   and name  HN  ))

      2.555     0.755     0.755
 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))

      2.625     0.825     0.825
 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB2 ))

      2.810     1.010     1.010
 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))

      2.730     0.930     0.930
 assi 
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))

      2.630     0.830     0.830
 assi 
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB2 ))

      2.900     1.100     1.100
 assi 
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB1 ))

      2.905     1.105     1.105
 assi 
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))

      2.570     0.770     0.770
 assi 
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 46   and name  HN  ))

      2.680     0.880     0.880
 assi 
   (( segid "   A" and resid 45   and name  HB2 ))
   (( segid "   A" and resid 46   and name  HN  ))

      2.960     1.160     1.160
 assi 
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 56   and name  HN  ))

      2.965     1.165     1.165
 assi 
   (  segid "   A" and resid 55   and name  HB# )
   (( segid "   A" and resid 56   and name  HN  ))

      2.655     0.855     0.855
 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))

      2.625     0.825     0.825
 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))

      2.590     0.790     0.790
 assi 
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      3.010     1.210     1.210
 assi 
   (  segid "   A" and resid 50   and name  HB# )
   (( segid "   A" and resid 51   and name  HN  ))

      2.670     0.870     0.870
 assi 
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))

      2.640     0.840     0.840
 assi 
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 17   and name  HN  ))

      2.430     0.630     0.630
 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 17   and name  HB# )

      2.630     0.830     0.830
 assi 
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))

      2.445     0.645     0.645
 assi 
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 17   and name  HG# )

      2.970     1.170     1.170
 assi 
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HN  ))

      2.845     1.045     1.045
 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB  ))

      2.645     0.845     0.845
 assi 
   (( segid "   A" and resid 67   and name  HN  ))
   (  segid "   A" and resid 67   and name  HG1#)

      2.790     0.990     0.990
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 63   and name  HB1 ))

      2.840     1.040     1.040
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 63   and name  HB2 ))

      2.530     0.730     0.730
 assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 63   and name  HD2#)

      2.915     1.115     1.115
 assi 
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 32   and name  HN  ))

      2.995     1.195     1.195
 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HB  ))

      2.455     0.655     0.655
 assi 
   (( segid "   A" and resid 31   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HN  ))

      2.780     0.980     0.980
 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (  segid "   A" and resid 32   and name  HG1#)

      2.540     0.740     0.740
 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (  segid "   A" and resid 32   and name  HG2#)

      2.860     1.060     1.060
 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))

      2.375     0.575     0.575
 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 36   and name  HD1#)

      2.835     1.035     1.035
 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HG  ))

      2.380     0.580     0.580
 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 25   and name  HG# )

      2.825     1.025     1.025
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HG1 ))

      2.850     1.050     1.050
 assi 
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))

      2.495     0.695     0.695
 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HG12))

      2.615     0.815     0.815
 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HG11))

      2.600     0.800     0.800
 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 43   and name  HD1#)

      3.000     1.200     1.200
 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))

      2.595     0.795     0.795
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))

      2.600     0.800     0.800
 assi 
   (  segid "   A" and resid 37   and name  HB# )
   (( segid "   A" and resid 38   and name  HN  ))

      2.545     0.745     0.745
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HG2 ))

      2.915     1.115     1.115
 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (  segid "   A" and resid 38   and name  HB# )

      2.505     0.705     0.705
 assi 
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))

      3.045     1.245     1.245
 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 48   and name  HG# )

      2.755     0.955     0.955
 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HB1 ))

      2.530     0.730     0.730
 assi 
   (( segid "   A" and resid 66   and name  HN  ))
   (  segid "   A" and resid 66   and name  HB# )

      2.645     0.845     0.845
 assi 
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))

      2.640     0.840     0.840
 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))

      2.850     1.050     1.050
 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 13   and name  HG1#)

      2.935     1.135     1.135
 assi 
   (( segid "   A" and resid 51   and name  HB1 ))
   (( segid "   A" and resid 52   and name  HN  ))

      2.605     0.805     0.805
 assi 
   (  segid "   A" and resid 65   and name  HD# )
   (( segid "   A" and resid 66   and name  HN  ))

      3.250     1.450     1.450
 assi 
   (( segid "   A" and resid 65   and name  HB1 ))
   (( segid "   A" and resid 66   and name  HN  ))

      2.595     0.795     0.795
 assi 
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))

      2.575     0.775     0.775
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 41   and name  HG# )

      2.705     0.905     0.905
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))

      2.760     0.960     0.960
 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB1 ))

      2.600     0.800     0.800
 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HB2 ))

      2.530     0.730     0.730
 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 61   and name  HB1 ))

      2.785     0.985     0.985
 assi 
   (  segid "   A" and resid 60   and name  HG2#)
   (( segid "   A" and resid 61   and name  HN  ))

      2.985     1.185     1.185
 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 37   and name  HB# )

      2.380     0.580     0.580
 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HG2 ))

      2.665     0.865     0.865
 assi 
   (  segid "   A" and resid 33   and name  HG2#)
   (( segid "   A" and resid 37   and name  HN  ))

      2.980     1.180     1.180
 assi 
   (( segid "   A" and resid 54   and name  HA  ))
   (( segid "   A" and resid 57   and name  HN  ))

      2.940     1.140     1.140
 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 57   and name  HB1 ))

      2.500     0.700     0.700
 assi 
   (  segid "   A" and resid 36   and name  HD2#)
   (( segid "   A" and resid 57   and name  HN  ))

      2.980     1.180     1.180
 assi 
   (  segid "   A" and resid 32   and name  HG2#)
   (( segid "   A" and resid 57   and name  HN  ))

      2.730     0.930     0.930
 assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (  segid "   A" and resid 57   and name  HD2#)

      2.925     1.125     1.125
 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 34   and name  HN  ))

      2.720     0.920     0.920
 assi 
   (( segid "   A" and resid 34   and name  HN  ))
   (  segid "   A" and resid 34   and name  HB# )

      2.280     0.480     0.480
 assi 
   (( segid "   A" and resid 33   and name  HB  ))
   (( segid "   A" and resid 34   and name  HN  ))

      2.340     0.540     0.540
 assi 
   (  segid "   A" and resid 33   and name  HG2#)
   (( segid "   A" and resid 34   and name  HN  ))

      2.705     0.905     0.905
 assi 
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HN  ))

      2.510     0.710     0.710
 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB2 ))

      2.715     0.915     0.915
 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB1 ))

      2.745     0.945     0.945
 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB2 ))

      2.970     1.170     1.170
 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB1 ))

      3.000     1.200     1.200
 assi 
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))

      2.975     1.175     1.175
 assi 
   (  segid "   A" and resid 27   and name  HD2#)
   (( segid "   A" and resid 28   and name  HN  ))

      3.135     1.335     1.335
 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 61   and name  HN  ))

      2.690     0.890     0.890
 assi 
   (( segid "   A" and resid 59   and name  HB1 ))
   (( segid "   A" and resid 60   and name  HN  ))

      3.225     1.425     1.425
 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (( segid "   A" and resid 60   and name  HG12))

      2.680     0.880     0.880
 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (  segid "   A" and resid 60   and name  HG2#)

      2.860     1.060     1.060
 assi 
   (( segid "   A" and resid 60   and name  HN  ))
   (  segid "   A" and resid 60   and name  HD1#)

      2.865     1.065     1.065
 assi 
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 55   and name  HN  ))

      3.010     1.210     1.210
 assi 
   (( segid "   A" and resid 52   and name  HA  ))
   (( segid "   A" and resid 55   and name  HN  ))

      3.010     1.210     1.210
 assi 
   (( segid "   A" and resid 54   and name  HB2 ))
   (( segid "   A" and resid 55   and name  HN  ))

      2.660     0.860     0.860
 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HG2 ))

      2.910     1.110     1.110
 assi 
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HG1 ))

      2.245     0.445     0.445
 assi 
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 58   and name  HN  ))

      2.940     1.140     1.140
 assi 
   (( segid "   A" and resid 57   and name  HB2 ))
   (( segid "   A" and resid 58   and name  HN  ))

      2.610     0.810     0.810
 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))

      2.545     0.745     0.745
 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))

      2.480     0.680     0.680
 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (  segid "   A" and resid 58   and name  HG# )

      2.645     0.845     0.845
 assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 33   and name  HN  ))

      2.700     0.900     0.900
 assi 
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 34   and name  HN  ))

      2.670     0.870     0.870
 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 33   and name  HN  ))

      2.990     1.190     1.190
 assi 
   (( segid "   A" and resid 32   and name  HB  ))
   (( segid "   A" and resid 33   and name  HN  ))

      2.750     0.950     0.950
 assi 
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 33   and name  HG12))

      2.415     0.615     0.615
 assi 
   (( segid "   A" and resid 33   and name  HN  ))
   (  segid "   A" and resid 33   and name  HG2#)

      2.710     0.910     0.910
 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (  segid "   A" and resid 35   and name  HB# )

      2.300     0.500     0.500
 assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 35   and name  HG1 ))

      2.800     1.000     1.000
 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))

      2.735     0.935     0.935
 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 54   and name  HD# )

      3.190     1.390     1.390
 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))

      2.400     0.600     0.600
 assi 
   (  segid "   A" and resid 32   and name  HG2#)
   (( segid "   A" and resid 54   and name  HN  ))

      3.185     1.385     1.385
 assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 62   and name  HN  ))

      2.880     1.080     1.080
 assi 
   (( segid "   A" and resid 43   and name  HG12))
   (( segid "   A" and resid 44   and name  HN  ))

      2.885     1.085     1.085
 assi 
   (( segid "   A" and resid 61   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HN  ))

      2.915     1.115     1.115
 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB  ))

      2.505     0.705     0.705
 assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (  segid "   A" and resid 62   and name  HG2#)

      2.805     1.005     1.005
 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 44   and name  HB# )

      2.765     0.965     0.965
 assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 59   and name  HN  ))

      2.805     1.005     1.005
 assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 59   and name  HB1 ))

      2.475     0.675     0.675
 assi 
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      3.540     1.740     1.740
 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 54   and name  HZ  ))

      3.650     1.850     1.850
 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD2#)

      3.510     1.710     1.710
 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 27   and name  HG  ))

      3.275     1.475     1.475
 assi 
   (( segid "   A" and resid 26   and name  HB  ))
   (( segid "   A" and resid 27   and name  HG  ))

      3.300     1.500     1.500
 assi 
   (( segid "   A" and resid 26   and name  HB  ))
   (  segid "   A" and resid 27   and name  HD2#)

      3.295     1.495     1.495
 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (  segid "   A" and resid 26   and name  HG2#)

      3.650     1.850     1.850
 assi 
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))

      3.435     1.635     1.635
 assi 
   (  segid "   A" and resid 25   and name  HG# )
   (( segid "   A" and resid 51   and name  HA  ))

      3.265     1.465     1.465
 assi 
   (  segid "   A" and resid 25   and name  HG# )
   (( segid "   A" and resid 54   and name  HB2 ))

      3.075     1.275     1.275
 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HG1 ))

      3.345     1.545     1.545
 assi 
   (  segid "   A" and resid 36   and name  HD2#)
   (( segid "   A" and resid 43   and name  HA  ))

      3.610     1.810     1.810
 assi 
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB1 ))

      3.005     1.205     1.205
 assi 
   (( segid "   A" and resid 56   and name  HE  ))
   (( segid "   A" and resid 48   and name  OE2 ))

      1.800     0.000     0.000
 assi 
   (( segid "   A" and resid 56   and name  NE  ))
   (( segid "   A" and resid 48   and name  OE2 ))

      2.250     0.450     0.450
 assi 
   (( segid "   A" and resid 56   and name  HE  ))
   (( segid "   A" and resid 48   and name  OE2 ))

      1.900     0.100     0.100
 assi 
   (( segid "   A" and resid 56   and name  NE  ))
   (( segid "   A" and resid 48   and name  OE2 ))

      2.400     0.600     0.600


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