NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
368643 1axl cing 3-converted-DOCR XPLOR/CNS distance general distance ambi


 assi 
   (( segid "   A" and resid 1    and name  H3' ))
   (( segid "   A" and resid 1    and name  H1' ))

      3.510     0.700     0.700
 assi 
   (( segid "   A" and resid 1    and name  H4' ))
   (( segid "   A" and resid 1    and name  H1' ))

      2.930     0.580     0.580
 assi 
   (( segid "   A" and resid 1    and name  H2''))
   (( segid "   A" and resid 1    and name  H1' ))

      2.260     0.460     0.460
 assi 
   (( segid "   A" and resid 1    and name  H2' ))
   (( segid "   A" and resid 1    and name  H6  ))

      2.590     0.520     0.520
 assi 
   (( segid "   A" and resid 1    and name  H3' ))
   (( segid "   A" and resid 1    and name  H6  ))

      3.340     0.660     0.660
 assi 
   (( segid "   A" and resid 1    and name  H2' ))
   (( segid "   A" and resid 1    and name  H3' ))

      2.560     0.520     0.520
 assi 
   (( segid "   A" and resid 1    and name  H2''))
   (( segid "   A" and resid 1    and name  H6  ))

      3.060     0.620     0.620
 assi 
   (( segid "   A" and resid 1    and name  H2''))
   (( segid "   A" and resid 2    and name  H5  ))

      2.960     0.600     0.600
 assi 
   (( segid "   A" and resid 1    and name  H3' ))
   (( segid "   A" and resid 2    and name  H6  ))

      3.650     0.740     0.740
 assi 
   (( segid "   A" and resid 2    and name  H5  ))
   (( segid "   A" and resid 1    and name  H6  ))

      3.580     0.720     0.720
 assi 
   (( segid "   A" and resid 1    and name  H2''))
   (( segid "   A" and resid 2    and name  H6  ))

      2.750     0.540     0.540
 assi 
   (( segid "   A" and resid 1    and name  H2' ))
   (( segid "   A" and resid 2    and name  H5  ))

      3.410     0.680     0.680
 assi 
   (( segid "   A" and resid 2    and name  H3' ))
   (( segid "   A" and resid 2    and name  H6  ))

      3.400     0.680     0.680
 assi 
   (( segid "   A" and resid 2    and name  H2' ))
   (( segid "   A" and resid 2    and name  H5  ))

      3.290     0.660     1.000
 assi 
   (( segid "   A" and resid 2    and name  H2' ))
   (( segid "   A" and resid 2    and name  H6  ))

      2.230     0.440     0.440
 assi 
   (( segid "   A" and resid 2    and name  H2' ))
   (( segid "   A" and resid 2    and name  H1' ))

      3.150     0.620     0.620
 assi 
   (( segid "   A" and resid 2    and name  H2''))
   (( segid "   A" and resid 2    and name  H1' ))

      2.540     0.500     0.500
 assi 
   (( segid "   A" and resid 2    and name  H5  ))
   (( segid "   A" and resid 2    and name  H6  ))

      2.390     0.480     0.480
 assi 
   (( segid "   A" and resid 2    and name  H1' ))
   (( segid "   A" and resid 2    and name  H6  ))

      3.410     0.680     0.680
 assi 
   (( segid "   A" and resid 2    and name  H1' ))
   (( segid "   A" and resid 3    and name  H8  ))

      3.600     0.720     0.720
 assi 
   (( segid "   A" and resid 2    and name  H2' ))
   (( segid "   A" and resid 3    and name  H8  ))

      3.970     0.800     0.800
 assi 
   (( segid "   A" and resid 2    and name  H2''))
   (( segid "   A" and resid 3    and name  H8  ))

      3.320     1.000     0.660
 assi 
   (( segid "   A" and resid 3    and name  H4' ))
   (( segid "   A" and resid 3    and name  H1' ))

      3.160     0.640     0.640
 assi 
   (( segid "   A" and resid 3    and name  H3' ))
   (( segid "   A" and resid 3    and name  H1' ))

      3.620     0.720     0.720
 assi 
   (( segid "   A" and resid 3    and name  H1' ))
   (( segid "   A" and resid 3    and name  H8  ))

      3.620     0.720     0.720
 assi 
   (( segid "   A" and resid 3    and name  H3' ))
   (( segid "   A" and resid 3    and name  H8  ))

      3.370     0.680     1.000
 assi 
   (( segid "   A" and resid 3    and name  H2' ))
   (( segid "   A" and resid 3    and name  H1' ))

      2.680     0.540     0.540
 assi 
   (( segid "   A" and resid 3    and name  H2''))
   (( segid "   A" and resid 3    and name  H1' ))

      2.310     0.460     0.460
 assi 
   (( segid "   A" and resid 3    and name  H1' ))
   (( segid "   A" and resid 4    and name  H6  ))

      3.380     0.680     0.680
 assi 
   (( segid "   A" and resid 3    and name  H2''))
   (( segid "   A" and resid 4    and name  H6  ))

      2.790     0.560     0.560
 assi 
   (( segid "   A" and resid 3    and name  H3' ))
   (( segid "   A" and resid 4    and name  H6  ))

      4.500     0.900     0.900
 assi 
   (( segid "   A" and resid 3    and name  H2' ))
   (( segid "   A" and resid 4    and name  H6  ))

      3.370     0.680     0.680
 assi 
   (  segid "   A" and resid 4    and name  H5# )
   (( segid "   A" and resid 3    and name  H1' ))

      4.530     0.900     0.900
 assi 
   (( segid "   A" and resid 4    and name  H6  ))
   (( segid "   A" and resid 3    and name  H8  ))

      4.660     0.940     0.940
 assi 
   (  segid "   A" and resid 4    and name  H5# )
   (( segid "   A" and resid 4    and name  H6  ))

      2.570     0.520     0.520
 assi 
   (( segid "   A" and resid 4    and name  H1' ))
   (( segid "   A" and resid 4    and name  H6  ))

      3.530     0.700     0.700
 assi 
   (( segid "   A" and resid 4    and name  H2' ))
   (( segid "   A" and resid 4    and name  H1' ))

      3.010     0.600     0.600
 assi 
   (( segid "   A" and resid 4    and name  H2''))
   (( segid "   A" and resid 4    and name  H1' ))

      2.400     0.480     0.480
 assi 
   (( segid "   A" and resid 4    and name  H2' ))
   (( segid "   A" and resid 4    and name  H6  ))

      2.580     0.520     0.520
 assi 
   (( segid "   A" and resid 4    and name  H2''))
   (( segid "   A" and resid 4    and name  H6  ))

      3.110     0.620     0.620
 assi 
   (( segid "   A" and resid 4    and name  H2' ))
   (( segid "   A" and resid 4    and name  H3' ))

      2.790     0.560     0.560
 assi 
   (( segid "   A" and resid 4    and name  H3' ))
   (( segid "   A" and resid 4    and name  H6  ))

      3.020     0.600     1.000
 assi 
   (( segid "   A" and resid 4    and name  H3' ))
   (( segid "   A" and resid 5    and name  H6  ))

      3.890     0.780     0.780
 assi 
   (( segid "   A" and resid 4    and name  H1' ))
   (( segid "   A" and resid 5    and name  H6  ))

      4.030     0.800     0.800
 assi 
   (( segid "   A" and resid 5    and name  H5  ))
   (( segid "   A" and resid 4    and name  H6  ))

      3.880     0.780     0.780
 assi 
   (( segid "   A" and resid 4    and name  H2''))
   (( segid "   A" and resid 5    and name  H6  ))

      3.200     0.640     0.640
 assi 
   (( segid "   A" and resid 4    and name  H2' ))
   (( segid "   A" and resid 5    and name  H6  ))

      3.360     0.680     0.680
 assi 
   (( segid "   A" and resid 5    and name  H5  ))
   (( segid "   A" and resid 5    and name  H6  ))

      2.580     0.520     0.520
 assi 
   (( segid "   A" and resid 5    and name  H3' ))
   (( segid "   A" and resid 5    and name  H6  ))

      2.530     0.500     1.000
 assi 
   (( segid "   A" and resid 5    and name  H2''))
   (( segid "   A" and resid 5    and name  H1' ))

      2.570     0.520     0.520
 assi 
   (( segid "   A" and resid 5    and name  H2''))
   (( segid "   A" and resid 5    and name  H6  ))

      3.840     0.760     0.760
 assi 
   (( segid "   A" and resid 5    and name  H2''))
   (( segid "   A" and resid 5    and name  H3' ))

      3.410     0.680     0.680
 assi 
   (( segid "   A" and resid 5    and name  H2' ))
   (( segid "   A" and resid 5    and name  H6  ))

      2.710     0.520     0.520
 assi 
   (( segid "   A" and resid 5    and name  H1' ))
   (( segid "   A" and resid 5    and name  H6  ))

      3.720     0.740     0.740
 assi 
   (( segid "   A" and resid 6    and name  H4' ))
   (( segid "   A" and resid 6    and name  H1' ))

      3.650     0.740     0.740
 assi 
   (( segid "   A" and resid 6    and name  H3' ))
   (( segid "   A" and resid 6    and name  H1' ))

      3.770     0.760     0.760
 assi 
   (( segid "   A" and resid 6    and name  H2''))
   (( segid "   A" and resid 6    and name  H3' ))

      2.740     0.540     0.540
 assi 
   (( segid "   A" and resid 6    and name  H1' ))
   (( segid "   A" and resid 6    and name  H8  ))

      3.630     0.720     0.720
 assi 
   (( segid "   A" and resid 6    and name  H2''))
   (( segid "   A" and resid 6    and name  H1' ))

      2.580     0.520     0.520
 assi 
   (( segid "   A" and resid 6    and name  H2' ))
   (( segid "   A" and resid 6    and name  H1' ))

      2.980     0.600     0.600
 assi 
   (( segid "   A" and resid 6    and name  H2' ))
   (( segid "   A" and resid 7    and name  H6  ))

      3.030     0.600     0.600
 assi 
   (( segid "   A" and resid 6    and name  H3' ))
   (( segid "   A" and resid 7    and name  H6  ))

      3.310     0.660     0.660
 assi 
   (( segid "   A" and resid 6    and name  H1' ))
   (( segid "   A" and resid 7    and name  H6  ))

      4.170     0.840     0.840
 assi 
   (( segid "   A" and resid 6    and name  H2''))
   (( segid "   A" and resid 7    and name  H6  ))

      2.840     0.560     0.560
 assi 
   (( segid "   A" and resid 7    and name  H1' ))
   (( segid "   A" and resid 7    and name  H6  ))

      3.110     0.620     0.620
 assi 
   (( segid "   A" and resid 7    and name  H2' ))
   (( segid "   A" and resid 7    and name  H1' ))

      2.950     0.600     0.600
 assi 
   (( segid "   A" and resid 7    and name  H5  ))
   (( segid "   A" and resid 7    and name  H6  ))

      2.460     0.500     0.500
 assi 
   (( segid "   A" and resid 7    and name  H3' ))
   (( segid "   A" and resid 7    and name  H6  ))

      3.040     0.600     0.600
 assi 
   (( segid "   A" and resid 7    and name  H2' ))
   (( segid "   A" and resid 7    and name  H3' ))

      2.850     0.580     0.580
 assi 
   (( segid "   A" and resid 7    and name  H2''))
   (( segid "   A" and resid 7    and name  H3' ))

      3.060     0.620     0.620
 assi 
   (( segid "   A" and resid 7    and name  H2''))
   (( segid "   A" and resid 7    and name  H1' ))

      2.670     0.540     0.540
 assi 
   (  segid "   A" and resid 8    and name  H5# )
   (( segid "   A" and resid 7    and name  H6  ))

      3.550     0.700     0.700
 assi 
   (( segid "   A" and resid 7    and name  H3' ))
   (( segid "   A" and resid 8    and name  H6  ))

      3.400     0.680     1.000
 assi 
   (  segid "   A" and resid 8    and name  H5# )
   (( segid "   A" and resid 7    and name  H5  ))

      3.780     0.760     0.760
 assi 
   (( segid "   A" and resid 7    and name  H1' ))
   (( segid "   A" and resid 8    and name  H6  ))

      3.530     0.700     0.700
 assi 
   (( segid "   A" and resid 7    and name  H2''))
   (( segid "   A" and resid 8    and name  H6  ))

      2.880     0.580     0.580
 assi 
   (( segid "   A" and resid 7    and name  H2' ))
   (( segid "   A" and resid 8    and name  H6  ))

      2.590     0.520     1.000
 assi 
   (( segid "   A" and resid 8    and name  H2' ))
   (( segid "   A" and resid 8    and name  H6  ))

      2.860     0.580     0.580
 assi 
   (( segid "   A" and resid 8    and name  H4' ))
   (( segid "   A" and resid 8    and name  H1' ))

      2.600     0.520     1.000
 assi 
   (( segid "   A" and resid 8    and name  H3' ))
   (( segid "   A" and resid 8    and name  H6  ))

      3.190     0.640     1.000
 assi 
   (( segid "   A" and resid 8    and name  H2''))
   (( segid "   A" and resid 8    and name  H1' ))

      2.330     0.460     0.230
 assi 
   (( segid "   A" and resid 8    and name  H2''))
   (( segid "   A" and resid 8    and name  H6  ))

      2.880     0.580     0.580
 assi 
   (( segid "   A" and resid 8    and name  H1' ))
   (( segid "   A" and resid 8    and name  H6  ))

      3.410     0.680     0.680
 assi 
   (  segid "   A" and resid 8    and name  H5# )
   (( segid "   A" and resid 8    and name  H6  ))

      2.650     0.520     0.520
 assi 
   (( segid "   A" and resid 8    and name  H3' ))
   (( segid "   A" and resid 8    and name  H1' ))

      3.070     0.620     0.620
 assi 
   (( segid "   A" and resid 8    and name  H2' ))
   (( segid "   A" and resid 8    and name  H6  ))

      2.320     0.460     0.460
 assi 
   (( segid "   A" and resid 8    and name  H6  ))
   (( segid "   A" and resid 9    and name  H8  ))

      4.950     1.000     1.000
 assi 
   (( segid "   A" and resid 8    and name  H3' ))
   (( segid "   A" and resid 9    and name  H8  ))

      4.210     0.840     0.840
 assi 
   (( segid "   A" and resid 8    and name  H1' ))
   (( segid "   A" and resid 9    and name  H8  ))

      3.470     0.700     0.700
 assi 
   (( segid "   A" and resid 9    and name  H2' ))
   (( segid "   A" and resid 9    and name  H8  ))

      2.280     0.460     0.460
 assi 
   (( segid "   A" and resid 9    and name  H3' ))
   (( segid "   A" and resid 9    and name  H1' ))

      3.590     0.720     0.720
 assi 
   (( segid "   A" and resid 9    and name  H4' ))
   (( segid "   A" and resid 9    and name  H1' ))

      2.830     0.560     0.560
 assi 
   (( segid "   A" and resid 9    and name  H2' ))
   (( segid "   A" and resid 9    and name  H8  ))

      2.730     0.540     0.540
 assi 
   (( segid "   A" and resid 9    and name  H1' ))
   (( segid "   A" and resid 9    and name  H8  ))

      3.590     0.720     0.720
 assi 
   (( segid "   A" and resid 9    and name  H2''))
   (( segid "   A" and resid 9    and name  H1' ))

      2.230     0.440     0.440
 assi 
   (( segid "   A" and resid 9    and name  H2''))
   (( segid "   A" and resid 9    and name  H8  ))

      2.950     0.600     0.600
 assi 
   (( segid "   A" and resid 9    and name  H3' ))
   (( segid "   A" and resid 9    and name  H8  ))

      3.610     0.720     0.720
 assi 
   (( segid "   A" and resid 9    and name  H2' ))
   (( segid "   A" and resid 10   and name  H6  ))

      2.710     0.540     1.000
 assi 
   (( segid "   A" and resid 9    and name  H1' ))
   (( segid "   A" and resid 10   and name  H6  ))

      3.100     0.620     0.620
 assi 
   (( segid "   A" and resid 9    and name  H2''))
   (( segid "   A" and resid 10   and name  H6  ))

      2.540     0.500     0.500
 assi 
   (( segid "   A" and resid 10   and name  H5  ))
   (( segid "   A" and resid 9    and name  H8  ))

      3.520     0.700     0.700
 assi 
   (( segid "   A" and resid 9    and name  H2' ))
   (( segid "   A" and resid 10   and name  H5  ))

      3.600     0.720     0.720
 assi 
   (( segid "   A" and resid 9    and name  H2''))
   (( segid "   A" and resid 10   and name  H5  ))

      3.450     0.680     0.680
 assi 
   (( segid "   A" and resid 10   and name  H6  ))
   (( segid "   A" and resid 9    and name  H8  ))

      4.530     0.900     0.900
 assi 
   (( segid "   A" and resid 9    and name  H3' ))
   (( segid "   A" and resid 10   and name  H6  ))

      3.990     0.800     0.800
 assi 
   (( segid "   A" and resid 10   and name  H2' ))
   (( segid "   A" and resid 10   and name  H5  ))

      4.060     0.820     0.820
 assi 
   (( segid "   A" and resid 10   and name  H2''))
   (( segid "   A" and resid 10   and name  H3' ))

      2.910     0.580     0.580
 assi 
   (( segid "   A" and resid 10   and name  H3' ))
   (( segid "   A" and resid 10   and name  H6  ))

      3.020     0.600     0.600
 assi 
   (( segid "   A" and resid 10   and name  H2''))
   (( segid "   A" and resid 10   and name  H1' ))

      2.280     0.460     0.460
 assi 
   (( segid "   A" and resid 10   and name  H3' ))
   (( segid "   A" and resid 10   and name  H1' ))

      3.300     0.660     0.660
 assi 
   (( segid "   A" and resid 10   and name  H4' ))
   (( segid "   A" and resid 10   and name  H1' ))

      2.690     0.540     0.540
 assi 
   (( segid "   A" and resid 10   and name  H5  ))
   (( segid "   A" and resid 10   and name  H6  ))

      2.380     0.480     0.480
 assi 
   (( segid "   A" and resid 10   and name  H2' ))
   (( segid "   A" and resid 10   and name  H6  ))

      2.310     0.460     0.460
 assi 
   (( segid "   A" and resid 10   and name  H1' ))
   (( segid "   A" and resid 10   and name  H6  ))

      3.240     0.640     0.640
 assi 
   (( segid "   A" and resid 10   and name  H2''))
   (( segid "   A" and resid 10   and name  H6  ))

      2.990     0.600     0.600
 assi 
   (( segid "   A" and resid 10   and name  H2' ))
   (( segid "   A" and resid 11   and name  H5  ))

      3.430     0.680     0.680
 assi 
   (( segid "   A" and resid 10   and name  H1' ))
   (( segid "   A" and resid 11   and name  H6  ))

      3.180     0.640     0.640
 assi 
   (( segid "   A" and resid 11   and name  H5  ))
   (( segid "   A" and resid 10   and name  H6  ))

      3.520     0.700     0.700
 assi 
   (( segid "   A" and resid 10   and name  H2''))
   (( segid "   A" and resid 11   and name  H5  ))

      3.460     0.700     0.700
 assi 
   (( segid "   A" and resid 10   and name  H3' ))
   (( segid "   A" and resid 11   and name  H6  ))

      3.470     0.700     0.700
 assi 
   (( segid "   A" and resid 11   and name  H3' ))
   (( segid "   A" and resid 11   and name  H1' ))

      3.400     0.680     0.680
 assi 
   (( segid "   A" and resid 11   and name  H5  ))
   (( segid "   A" and resid 11   and name  H6  ))

      2.390     0.480     0.480
 assi 
   (( segid "   A" and resid 11   and name  H4' ))
   (( segid "   A" and resid 11   and name  H1' ))

      2.850     0.560     0.560
 assi 
   (( segid "   B" and resid 12   and name  H2''))
   (( segid "   B" and resid 12   and name  H8  ))

      2.790     0.560     1.000
 assi 
   (( segid "   B" and resid 12   and name  H2' ))
   (( segid "   B" and resid 12   and name  H8  ))

      2.370     0.480     0.480
 assi 
   (( segid "   B" and resid 12   and name  H1' ))
   (( segid "   B" and resid 12   and name  H8  ))

      3.360     0.680     0.680
 assi 
   (( segid "   B" and resid 12   and name  H3' ))
   (( segid "   B" and resid 12   and name  H8  ))

      3.510     0.700     0.700
 assi 
   (( segid "   B" and resid 12   and name  H2''))
   (( segid "   B" and resid 12   and name  H3' ))

      2.850     0.580     0.580
 assi 
   (( segid "   B" and resid 12   and name  H2' ))
   (( segid "   B" and resid 12   and name  H1' ))

      2.750     0.540     0.540
 assi 
   (( segid "   B" and resid 12   and name  H2' ))
   (( segid "   B" and resid 12   and name  H3' ))

      2.640     0.520     0.520
 assi 
   (( segid "   B" and resid 12   and name  H2''))
   (( segid "   B" and resid 12   and name  H1' ))

      2.480     0.500     0.500
 assi 
   (( segid "   B" and resid 12   and name  H1' ))
   (( segid "   B" and resid 13   and name  H8  ))

      3.110     0.620     0.620
 assi 
   (( segid "   B" and resid 12   and name  H3' ))
   (( segid "   B" and resid 13   and name  H8  ))

      3.350     0.680     1.000
 assi 
   (( segid "   B" and resid 13   and name  H4' ))
   (( segid "   B" and resid 13   and name  H1' ))

      3.050     0.620     0.620
 assi 
   (( segid "   B" and resid 13   and name  H2''))
   (( segid "   B" and resid 13   and name  H8  ))

      2.790     0.560     0.560
 assi 
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      2.690     0.540     0.540
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      3.820     0.760     0.760
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      4.210     0.840     0.840
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      2.930     0.580     0.580
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      2.720     0.540     1.000
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      3.220     0.640     0.640
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      3.650     0.740     1.000
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      3.380     0.680     0.680
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      2.680     0.540     1.000
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      2.270     0.460     0.460
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      2.740     0.540     0.540
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      3.170     0.640     0.640
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      2.340     0.460     0.460
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      2.530     0.500     0.500
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      3.620     0.720     0.720
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      2.720     0.540     0.540
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   (( segid "   B" and resid 14   and name  H3' ))
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      3.870     0.780     0.780
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      4.220     0.840     0.840
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      3.510     0.700     0.700
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      3.580     0.720     0.720
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      3.990     0.800     0.800
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      3.500     0.700     0.700
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   (( segid "   B" and resid 15   and name  H2''))
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      2.390     0.480     0.480
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   (( segid "   B" and resid 15   and name  H2' ))
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      2.650     0.540     0.540
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   (( segid "   B" and resid 15   and name  H4' ))
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      2.830     0.560     0.560
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   (( segid "   B" and resid 15   and name  H2''))
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      2.570     0.520     0.520
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   (( segid "   B" and resid 15   and name  H2' ))
   (( segid "   B" and resid 15   and name  H8  ))

      2.210     0.440     0.440
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   (( segid "   B" and resid 15   and name  H2''))
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      2.840     0.560     0.560
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      2.840     0.560     0.560
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   (( segid "   B" and resid 16   and name  H8  ))
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      4.300     0.860     0.860
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      3.380     0.680     0.680
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      3.010     0.600     0.600
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      2.840     0.560     0.560
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      3.590     0.720     0.720
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      3.580     0.720     0.720
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      4.000     0.800     0.800
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      3.870     0.780     0.780
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      3.210     0.640     0.640
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      3.620     0.720     0.720
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      2.610     0.520     1.000
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      2.460     0.500     0.500
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      3.320     0.660     0.660
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      5.290     1.060     1.060
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      3.240     0.640     0.640
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      3.460     0.700     0.700
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      2.370     0.480     0.480
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      2.880     0.580     0.580
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      2.710     0.540     0.540
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      3.570     0.720     0.720
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      3.510     0.700     0.700
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      3.710     0.740     0.740
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      2.900     0.580     0.580
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      4.540     0.900     0.900
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      4.410     0.880     0.880
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      3.220     0.640     0.640
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      3.150     0.640     0.640
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      2.690     0.540     0.540
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      2.520     0.500     0.500
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      2.320     0.460     0.460
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      3.710     0.740     0.740
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      2.890     0.580     0.580
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      3.080     0.620     0.620
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      3.440     0.680     0.680
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      2.600     0.520     0.520
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      2.670     0.540     0.540
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      2.420     0.480     0.480
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      3.210     0.640     0.640
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      3.810     0.760     0.760
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      3.230     1.000     0.640
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      4.790     0.960     0.960
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      3.440     0.680     0.680
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      3.720     0.740     0.740
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      2.330     0.460     0.460
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      2.510     0.500     0.500
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      3.460     0.700     0.700
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      2.530     0.500     0.500
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      3.500     0.700     0.700
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      2.310     0.460     0.460
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      2.700     0.540     0.540
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      2.300     0.460     0.460
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      2.840     0.560     0.560
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   (( segid "   B" and resid 21   and name  H2''))
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      3.670     0.740     0.740
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      3.300     0.660     0.660
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   (( segid "   B" and resid 21   and name  H2''))
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      2.970     0.600     0.600


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