NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
10660 1q38 cing 1-original 4 XPLOR/CNS chemical shift



REMARK chemical shifts generated by Felix2000.0 from ana_0418.dba database
  do ( store1 = 55.580 )  ( resid 1 and name CA )
  do ( store1 = 34.500 )  ( resid 1 and name CB )
  do ( store1 = 31.400 )  ( resid 1 and name CG )
  do ( store1 = 16.870 )  ( resid 1 and name CE )
  do ( store1 = 3.812 )  ( resid 1 and name HA )
  do ( store1 = 1.965 )  ( resid 1 and name HB* )
  do ( store1 = 2.504 )  ( resid 1 and name HG* )
  do ( store1 = 2.014 )  ( resid 1 and name HE* )
  do ( store1 = 56.400 )  ( resid 2 and name CA )
  do ( store1 = 30.800 )  ( resid 2 and name CB )
  do ( store1 = 176.620 )  ( resid 2 and name C )
  do ( store1 = 27.120 )  ( resid 2 and name CG )
  do ( store1 = 43.350 )  ( resid 2 and name CD )
  do ( store1 = 4.300 )  ( resid 2 and name HA )
  do ( store1 = 1.770 )  ( resid 2 and name HB* )
  do ( store1 = 1.591 )  ( resid 2 and name HG* )
  do ( store1 = 3.147 )  ( resid 2 and name HD* )
  do ( store1 = 111.030 )  ( resid 3 and name N )
  do ( store1 = 8.480 )  ( resid 3 and name HN )
  do ( store1 = 45.330 )  ( resid 3 and name CA )
  do ( store1 = 3.917 )  ( resid 3 and name HA* )
  do ( store1 = 58.300 )  ( resid 4 and name CA )
  do ( store1 = 63.900 )  ( resid 4 and name CB )
  do ( store1 = 4.352 )  ( resid 4 and name HA )
  do ( store1 = 3.757 )  ( resid 4 and name HB* )
  do ( store1 = 53.010 )  ( resid 5 and name CA )
  do ( store1 = 38.930 )  ( resid 5 and name CB )
  do ( store1 = 174.440 )  ( resid 5 and name C )
  do ( store1 = 4.669 )  ( resid 5 and name HA )
  do ( store1 = 2.707 )  ( resid 5 and name HB* )
  do ( store1 = 113.000 )  ( resid 5 and name ND2 )
  do ( store1 = 6.825 )  ( resid 5 and name HD21 )
  do ( store1 = 7.500 )  ( resid 5 and name HD22 )
  do ( store1 = 125.240 )  ( resid 6 and name N )
  do ( store1 = 8.043 )  ( resid 6 and name HN )
  do ( store1 = 50.600 )  ( resid 6 and name CA )
  do ( store1 = 18.230 )  ( resid 6 and name CB )
  do ( store1 = 4.496 )  ( resid 6 and name HA )
  do ( store1 = 1.261 )  ( resid 6 and name HB* )
  do ( store1 = 63.030 )  ( resid 7 and name CA )
  do ( store1 = 31.970 )  ( resid 7 and name CB )
  do ( store1 = 176.730 )  ( resid 7 and name C )
  do ( store1 = 27.400 )  ( resid 7 and name CG )
  do ( store1 = 50.370 )  ( resid 7 and name CD )
  do ( store1 = 4.352 )  ( resid 7 and name HA )
  do ( store1 = 2.178 )  ( resid 7 and name HB2 )
  do ( store1 = 1.916 )  ( resid 7 and name HG* )
  do ( store1 = 1.786 )  ( resid 7 and name HB1 )
  do ( store1 = 3.550 )  ( resid 7 and name HD1 )
  do ( store1 = 3.710 )  ( resid 7 and name HD2 )
  do ( store1 = 121.600 )  ( resid 8 and name N )
  do ( store1 = 8.365 )  ( resid 8 and name HN )
  do ( store1 = 53.560 )  ( resid 8 and name CA )
  do ( store1 = 29.160 )  ( resid 8 and name CB )
  do ( store1 = 4.516 )  ( resid 8 and name HA )
  do ( store1 = 2.328 )  ( resid 8 and name HG* )
  do ( store1 = 2.008 )  ( resid 8 and name HB2 )
  do ( store1 = 1.799 )  ( resid 8 and name HB1 )
  do ( store1 = 33.560 )  ( resid 8 and name CG )
  do ( store1 = 112.800 )  ( resid 8 and name NE2 )
  do ( store1 = 7.447 )  ( resid 8 and name HE22 )
  do ( store1 = 6.777 )  ( resid 8 and name HE21 )
  do ( store1 = 63.410 )  ( resid 9 and name CA )
  do ( store1 = 32.190 )  ( resid 9 and name CB )
  do ( store1 = 176.810 )  ( resid 9 and name C )
  do ( store1 = 27.420 )  ( resid 9 and name CG )
  do ( store1 = 50.610 )  ( resid 9 and name CD )
  do ( store1 = 4.352 )  ( resid 9 and name HA )
  do ( store1 = 2.203 )  ( resid 9 and name HB2 )
  do ( store1 = 1.929 )  ( resid 9 and name HG* )
  do ( store1 = 1.766 )  ( resid 9 and name HB1 )
  do ( store1 = 3.589 )  ( resid 9 and name HD1 )
  do ( store1 = 3.688 )  ( resid 9 and name HD2 )
  do ( store1 = 115.530 )  ( resid 10 and name N )
  do ( store1 = 8.269 )  ( resid 10 and name HN )
  do ( store1 = 58.060 )  ( resid 10 and name CA )
  do ( store1 = 64.050 )  ( resid 10 and name CB )
  do ( store1 = 4.357 )  ( resid 10 and name HA )
  do ( store1 = 3.773 )  ( resid 10 and name HB* )
  do ( store1 = 56.510 )  ( resid 11 and name CA )
  do ( store1 = 30.900 )  ( resid 11 and name CB )
  do ( store1 = 174.830 )  ( resid 11 and name C )
  do ( store1 = 4.535 )  ( resid 11 and name HA )
  do ( store1 = 3.006 )  ( resid 11 and name HB* )
  do ( store1 = 122.760 )  ( resid 12 and name N )
  do ( store1 = 7.936 )  ( resid 12 and name HN )
  do ( store1 = 60.450 )  ( resid 12 and name CA )
  do ( store1 = 38.260 )  ( resid 12 and name CB )
  do ( store1 = 175.910 )  ( resid 12 and name C )
  do ( store1 = 27.350 )  ( resid 12 and name CG1 )
  do ( store1 = 17.300 )  ( resid 12 and name CG2 )
  do ( store1 = 12.270 )  ( resid 12 and name CD1 )
  do ( store1 = 3.983 )  ( resid 12 and name HA )
  do ( store1 = 1.619 )  ( resid 12 and name HB )
  do ( store1 = 1.266 )  ( resid 12 and name HG12 )
  do ( store1 = 0.951 )  ( resid 12 and name HG11 )
  do ( store1 = 0.660 )  ( resid 12 and name HD1* )
  do ( store1 = 0.314 )  ( resid 12 and name HG2* )
  do ( store1 = 121.790 )  ( resid 13 and name N )
  do ( store1 = 8.529 )  ( resid 13 and name HN )
  do ( store1 = 59.250 )  ( resid 13 and name CA )
  do ( store1 = 64.030 )  ( resid 13 and name CB )
  do ( store1 = 174.310 )  ( resid 13 and name C )
  do ( store1 = 4.325 )  ( resid 13 and name HA )
  do ( store1 = 3.593 )  ( resid 13 and name HB* )
  do ( store1 = 119.690 )  ( resid 14 and name N )
  do ( store1 = 7.687 )  ( resid 14 and name HN )
  do ( store1 = 55.400 )  ( resid 14 and name CA )
  do ( store1 = 35.000 )  ( resid 14 and name CB )
  do ( store1 = 172.660 )  ( resid 14 and name C )
  do ( store1 = 29.620 )  ( resid 14 and name CD )
  do ( store1 = 23.800 )  ( resid 14 and name CG )
  do ( store1 = 4.433 )  ( resid 14 and name HA )
  do ( store1 = 1.700 )  ( resid 14 and name HB2 )
  do ( store1 = 1.521 )  ( resid 14 and name HB1 )
  do ( store1 = 1.073 )  ( resid 14 and name HG* )
  do ( store1 = 2.749 )  ( resid 14 and name HE* )
  do ( store1 = 1.473 )  ( resid 14 and name HD* )
  do ( store1 = 42.110 )  ( resid 14 and name CE )
  do ( store1 = 118.190 )  ( resid 15 and name N )
  do ( store1 = 8.594 )  ( resid 15 and name HN )
  do ( store1 = 56.000 )  ( resid 15 and name CA )
  do ( store1 = 41.830 )  ( resid 15 and name CB )
  do ( store1 = 175.420 )  ( resid 15 and name C )
  do ( store1 = 5.498 )  ( resid 15 and name HA )
  do ( store1 = 2.635 )  ( resid 15 and name HB* )
  do ( store1 = 6.661 )  ( resid 15 and name HE* )
  do ( store1 = 6.841 )  ( resid 15 and name HD* )
  do ( store1 = 133.350 )  ( resid 15 and name CD* )
  do ( store1 = 118.040 )  ( resid 15 and name CE* )
  do ( store1 = 121.590 )  ( resid 16 and name N )
  do ( store1 = 9.197 )  ( resid 16 and name HN )
  do ( store1 = 60.500 )  ( resid 16 and name CA )
  do ( store1 = 40.820 )  ( resid 16 and name CB )
  do ( store1 = 174.340 )  ( resid 16 and name C )
  do ( store1 = 27.530 )  ( resid 16 and name CG1 )
  do ( store1 = 17.340 )  ( resid 16 and name CG2 )
  do ( store1 = 13.720 )  ( resid 16 and name CD1 )
  do ( store1 = 4.744 )  ( resid 16 and name HA )
  do ( store1 = 1.624 )  ( resid 16 and name HB )
  do ( store1 = 0.694 )  ( resid 16 and name HG2* )
  do ( store1 = 1.030 )  ( resid 16 and name HG11 )
  do ( store1 = 1.367 )  ( resid 16 and name HG12 )
  do ( store1 = 0.669 )  ( resid 16 and name HD1* )
  do ( store1 = 129.230 )  ( resid 17 and name N )
  do ( store1 = 9.101 )  ( resid 17 and name HN )
  do ( store1 = 53.040 )  ( resid 17 and name CA )
  do ( store1 = 45.650 )  ( resid 17 and name CB )
  do ( store1 = 175.130 )  ( resid 17 and name C )
  do ( store1 = 27.100 )  ( resid 17 and name CD2 )
  do ( store1 = 23.430 )  ( resid 17 and name CD1 )
  do ( store1 = 5.433 )  ( resid 17 and name HA )
  do ( store1 = 1.844 )  ( resid 17 and name HB2 )
  do ( store1 = 1.082 )  ( resid 17 and name HB1 )
  do ( store1 = 0.538 )  ( resid 17 and name HD2* )
  do ( store1 = 0.936 )  ( resid 17 and name HD1* )
  do ( store1 = 1.770 )  ( resid 17 and name HG )
  do ( store1 = 27.800 )  ( resid 17 and name CG )
  do ( store1 = 124.630 )  ( resid 18 and name N )
  do ( store1 = 9.315 )  ( resid 18 and name HN )
  do ( store1 = 53.970 )  ( resid 18 and name CA )
  do ( store1 = 33.660 )  ( resid 18 and name CB )
  do ( store1 = 176.140 )  ( resid 18 and name C )
  do ( store1 = 28.070 )  ( resid 18 and name CG )
  do ( store1 = 42.850 )  ( resid 18 and name CD )
  do ( store1 = 6.130 )  ( resid 18 and name HA )
  do ( store1 = 2.641 )  ( resid 18 and name HD2 )
  do ( store1 = 1.735 )  ( resid 18 and name HB2 )
  do ( store1 = 1.399 )  ( resid 18 and name HG* )
  do ( store1 = 2.484 )  ( resid 18 and name HD1 )
  do ( store1 = 1.310 )  ( resid 18 and name HB1 )
  do ( store1 = 7.141 )  ( resid 18 and name HE )
  do ( store1 = 83.960 )  ( resid 18 and name NE )
  do ( store1 = 120.880 )  ( resid 19 and name N )
  do ( store1 = 9.073 )  ( resid 19 and name HN )
  do ( store1 = 57.660 )  ( resid 19 and name CA )
  do ( store1 = 34.060 )  ( resid 19 and name CB )
  do ( store1 = 174.310 )  ( resid 19 and name C )
  do ( store1 = 3.607 )  ( resid 19 and name HB2 )
  do ( store1 = 3.255 )  ( resid 19 and name HB1 )
  do ( store1 = 6.586 )  ( resid 19 and name HA )
  do ( store1 = 115.800 )  ( resid 20 and name N )
  do ( store1 = 8.764 )  ( resid 20 and name HN )
  do ( store1 = 54.580 )  ( resid 20 and name CA )
  do ( store1 = 30.380 )  ( resid 20 and name CB )
  do ( store1 = 4.975 )  ( resid 20 and name HA )
  do ( store1 = 1.402 )  ( resid 20 and name HB2 )
  do ( store1 = 1.229 )  ( resid 20 and name HB1 )
  do ( store1 = 0.763 )  ( resid 20 and name HG2 )
  do ( store1 = 0.261 )  ( resid 20 and name HG1 )
  do ( store1 = 23.400 )  ( resid 20 and name CG )
  do ( store1 = 42.900 )  ( resid 20 and name CD )
  do ( store1 = 1.905 )  ( resid 20 and name HD2 )
  do ( store1 = 0.765 )  ( resid 20 and name HD1 )
  do ( store1 = 6.491 )  ( resid 20 and name HE )
  do ( store1 = 87.260 )  ( resid 20 and name NE )
  do ( store1 = 63.880 )  ( resid 21 and name CA )
  do ( store1 = 31.270 )  ( resid 21 and name CB )
  do ( store1 = 176.370 )  ( resid 21 and name C )
  do ( store1 = 28.500 )  ( resid 21 and name CG )
  do ( store1 = 50.620 )  ( resid 21 and name CD )
  do ( store1 = 3.980 )  ( resid 21 and name HA )
  do ( store1 = 1.930 )  ( resid 21 and name HB2 )
  do ( store1 = 1.560 )  ( resid 21 and name HB1 )
  do ( store1 = 2.130 )  ( resid 21 and name HG2 )
  do ( store1 = 1.832 )  ( resid 21 and name HG1 )
  do ( store1 = 3.408 )  ( resid 21 and name HD1 )
  do ( store1 = 3.960 )  ( resid 21 and name HD2 )
  do ( store1 = 126.550 )  ( resid 22 and name N )
  do ( store1 = 8.930 )  ( resid 22 and name HN )
  do ( store1 = 58.090 )  ( resid 22 and name CA )
  do ( store1 = 32.950 )  ( resid 22 and name CB )
  do ( store1 = 177.040 )  ( resid 22 and name C )
  do ( store1 = 29.570 )  ( resid 22 and name CD )
  do ( store1 = 25.040 )  ( resid 22 and name CG )
  do ( store1 = 42.080 )  ( resid 22 and name CE )
  do ( store1 = 3.825 )  ( resid 22 and name HA )
  do ( store1 = 1.503 )  ( resid 22 and name HB2 )
  do ( store1 = 1.214 )  ( resid 22 and name HB1 )
  do ( store1 = 2.846 )  ( resid 22 and name HE* )
  do ( store1 = 1.455 )  ( resid 22 and name HD* )
  do ( store1 = 1.219 )  ( resid 22 and name HG* )
  do ( store1 = 1.278 )  ( resid 22 and name HG2 )
  do ( store1 = 1.181 )  ( resid 22 and name HG1 )
  do ( store1 = 118.490 )  ( resid 23 and name N )
  do ( store1 = 8.731 )  ( resid 23 and name HN )
  do ( store1 = 54.640 )  ( resid 23 and name CA )
  do ( store1 = 37.170 )  ( resid 23 and name CB )
  do ( store1 = 174.340 )  ( resid 23 and name C )
  do ( store1 = 4.361 )  ( resid 23 and name HA )
  do ( store1 = 2.900 )  ( resid 23 and name HB* )
  do ( store1 = 113.000 )  ( resid 23 and name ND2 )
  do ( store1 = 6.825 )  ( resid 23 and name HD21 )
  do ( store1 = 7.500 )  ( resid 23 and name HD22 )
  do ( store1 = 113.720 )  ( resid 24 and name N )
  do ( store1 = 7.588 )  ( resid 24 and name HN )
  do ( store1 = 57.790 )  ( resid 24 and name CA )
  do ( store1 = 65.030 )  ( resid 24 and name CB )
  do ( store1 = 174.340 )  ( resid 24 and name C )
  do ( store1 = 4.403 )  ( resid 24 and name HA )
  do ( store1 = 3.781 )  ( resid 24 and name HB2 )
  do ( store1 = 3.520 )  ( resid 24 and name HB1 )
  do ( store1 = 114.970 )  ( resid 25 and name N )
  do ( store1 = 8.013 )  ( resid 25 and name HN )
  do ( store1 = 60.960 )  ( resid 25 and name CA )
  do ( store1 = 31.380 )  ( resid 25 and name CB )
  do ( store1 = 176.860 )  ( resid 25 and name C )
  do ( store1 = 21.300 )  ( resid 25 and name CG2 )
  do ( store1 = 18.680 )  ( resid 25 and name CG1 )
  do ( store1 = 4.318 )  ( resid 25 and name HA )
  do ( store1 = 2.258 )  ( resid 25 and name HB )
  do ( store1 = 0.782 )  ( resid 25 and name HG2* )
  do ( store1 = 0.713 )  ( resid 25 and name HG1* )
  do ( store1 = 110.520 )  ( resid 26 and name N )
  do ( store1 = 7.862 )  ( resid 26 and name HN )
  do ( store1 = 44.350 )  ( resid 26 and name CA )
  do ( store1 = 173.050 )  ( resid 26 and name C )
  do ( store1 = 4.040 )  ( resid 26 and name HA2 )
  do ( store1 = 3.682 )  ( resid 26 and name HA1 )
  do ( store1 = 118.630 )  ( resid 27 and name N )
  do ( store1 = 8.069 )  ( resid 27 and name HN )
  do ( store1 = 56.170 )  ( resid 27 and name CA )
  do ( store1 = 31.040 )  ( resid 27 and name CB )
  do ( store1 = 176.860 )  ( resid 27 and name C )
  do ( store1 = 27.240 )  ( resid 27 and name CG )
  do ( store1 = 43.370 )  ( resid 27 and name CD )
  do ( store1 = 4.146 )  ( resid 27 and name HA )
  do ( store1 = 1.745 )  ( resid 27 and name HB2 )
  do ( store1 = 1.635 )  ( resid 27 and name HB1 )
  do ( store1 = 3.145 )  ( resid 27 and name HD* )
  do ( store1 = 1.617 )  ( resid 27 and name HG* )
  do ( store1 = 122.030 )  ( resid 28 and name N )
  do ( store1 = 8.266 )  ( resid 28 and name HN )
  do ( store1 = 57.540 )  ( resid 28 and name CA )
  do ( store1 = 29.400 )  ( resid 28 and name CB )
  do ( store1 = 177.590 )  ( resid 28 and name CD1 )
  do ( store1 = 4.090 )  ( resid 28 and name HA )
  do ( store1 = 2.971 )  ( resid 28 and name HB2 )
  do ( store1 = 2.811 )  ( resid 28 and name HB1 )
  do ( store1 = 124.750 )  ( resid 29 and name N )
  do ( store1 = 8.411 )  ( resid 29 and name HN )
  do ( store1 = 55.820 )  ( resid 29 and name CA )
  do ( store1 = 32.460 )  ( resid 29 and name CB )
  do ( store1 = 174.880 )  ( resid 29 and name C )
  do ( store1 = 28.900 )  ( resid 29 and name CD )
  do ( store1 = 25.690 )  ( resid 29 and name CG )
  do ( store1 = 4.123 )  ( resid 29 and name HA )
  do ( store1 = 1.502 )  ( resid 29 and name HD* )
  do ( store1 = 1.115 )  ( resid 29 and name HG* )
  do ( store1 = -0.063 )  ( resid 29 and name HB1 )
  do ( store1 = 0.598 )  ( resid 29 and name HB2 )
  do ( store1 = 2.947 )  ( resid 29 and name HE* )
  do ( store1 = 42.650 )  ( resid 29 and name CE )
  do ( store1 = 117.190 )  ( resid 30 and name N )
  do ( store1 = 7.803 )  ( resid 30 and name HN )
  do ( store1 = 54.690 )  ( resid 30 and name CA )
  do ( store1 = 34.650 )  ( resid 30 and name CB )
  do ( store1 = 175.620 )  ( resid 30 and name C )
  do ( store1 = 37.220 )  ( resid 30 and name CG )
  do ( store1 = 5.634 )  ( resid 30 and name HA )
  do ( store1 = 1.952 )  ( resid 30 and name HG* )
  do ( store1 = 1.756 )  ( resid 30 and name HB* )
  do ( store1 = 126.370 )  ( resid 31 and name N )
  do ( store1 = 9.404 )  ( resid 31 and name HN )
  do ( store1 = 51.620 )  ( resid 31 and name CA )
  do ( store1 = 22.320 )  ( resid 31 and name CB )
  do ( store1 = 175.620 )  ( resid 31 and name C )
  do ( store1 = 4.783 )  ( resid 31 and name HA )
  do ( store1 = 1.505 )  ( resid 31 and name HB* )
  do ( store1 = 117.690 )  ( resid 32 and name N )
  do ( store1 = 8.488 )  ( resid 32 and name HN )
  do ( store1 = 62.370 )  ( resid 32 and name CA )
  do ( store1 = 69.440 )  ( resid 32 and name CB )
  do ( store1 = 174.100 )  ( resid 32 and name C )
  do ( store1 = 21.560 )  ( resid 32 and name CG2 )
  do ( store1 = 4.796 )  ( resid 32 and name HA )
  do ( store1 = 3.963 )  ( resid 32 and name HB )
  do ( store1 = 1.052 )  ( resid 32 and name HG2* )
  do ( store1 = 128.300 )  ( resid 33 and name N )
  do ( store1 = 8.992 )  ( resid 33 and name HN )
  do ( store1 = 57.950 )  ( resid 33 and name CA )
  do ( store1 = 40.190 )  ( resid 33 and name CB )
  do ( store1 = 4.284 )  ( resid 33 and name HA )
  do ( store1 = 1.682 )  ( resid 33 and name HB )
  do ( store1 = 0.573 )  ( resid 33 and name HG2* )
  do ( store1 = 0.956 )  ( resid 33 and name HG12 )
  do ( store1 = 0.347 )  ( resid 33 and name HG11 )
  do ( store1 = 0.241 )  ( resid 33 and name HD1* )
  do ( store1 = 26.580 )  ( resid 33 and name CG1 )
  do ( store1 = 17.220 )  ( resid 33 and name CG2 )
  do ( store1 = 13.810 )  ( resid 33 and name CD1 )
  do ( store1 = 63.210 )  ( resid 34 and name CA )
  do ( store1 = 32.470 )  ( resid 34 and name CB )
  do ( store1 = 177.370 )  ( resid 34 and name C )
  do ( store1 = 27.540 )  ( resid 34 and name CG )
  do ( store1 = 50.860 )  ( resid 34 and name CD )
  do ( store1 = 4.494 )  ( resid 34 and name HA )
  do ( store1 = 2.331 )  ( resid 34 and name HB2 )
  do ( store1 = 2.003 )  ( resid 34 and name HG* )
  do ( store1 = 1.780 )  ( resid 34 and name HB1 )
  do ( store1 = 3.805 )  ( resid 34 and name HD2 )
  do ( store1 = 3.510 )  ( resid 34 and name HD1 )
  do ( store1 = 107.000 )  ( resid 35 and name N )
  do ( store1 = 7.884 )  ( resid 35 and name HN )
  do ( store1 = 46.130 )  ( resid 35 and name CA )
  do ( store1 = 173.390 )  ( resid 35 and name C )
  do ( store1 = 3.723 )  ( resid 35 and name HA* )
  do ( store1 = 115.830 )  ( resid 36 and name N )
  do ( store1 = 7.757 )  ( resid 36 and name HN )
  do ( store1 = 55.930 )  ( resid 36 and name CA )
  do ( store1 = 30.450 )  ( resid 36 and name CB )
  do ( store1 = 175.880 )  ( resid 36 and name C )
  do ( store1 = 3.169 )  ( resid 36 and name HB2 )
  do ( store1 = 2.925 )  ( resid 36 and name HB1 )
  do ( store1 = 4.574 )  ( resid 36 and name HA )
  do ( store1 = 6.940 )  ( resid 36 and name HD2 )
  do ( store1 = 122.620 )  ( resid 37 and name N )
  do ( store1 = 7.431 )  ( resid 37 and name HN )
  do ( store1 = 55.680 )  ( resid 37 and name CA )
  do ( store1 = 42.310 )  ( resid 37 and name CB )
  do ( store1 = 176.800 )  ( resid 37 and name C )
  do ( store1 = 4.081 )  ( resid 37 and name HA )
  do ( store1 = 1.419 )  ( resid 37 and name HB* )
  do ( store1 = 0.762 )  ( resid 37 and name HD2* )
  do ( store1 = 0.635 )  ( resid 37 and name HD1* )
  do ( store1 = 1.090 )  ( resid 37 and name HG )
  do ( store1 = 26.900 )  ( resid 37 and name CG )
  do ( store1 = 25.300 )  ( resid 37 and name CD2 )
  do ( store1 = 23.500 )  ( resid 37 and name CD1 )
  do ( store1 = 116.370 )  ( resid 38 and name N )
  do ( store1 = 8.500 )  ( resid 38 and name HN )
  do ( store1 = 53.770 )  ( resid 38 and name CA )
  do ( store1 = 39.140 )  ( resid 38 and name CB )
  do ( store1 = 174.950 )  ( resid 38 and name C )
  do ( store1 = 4.539 )  ( resid 38 and name HA )
  do ( store1 = 2.697 )  ( resid 38 and name HB* )
  do ( store1 = 112.350 )  ( resid 38 and name ND2 )
  do ( store1 = 7.469 )  ( resid 38 and name HD22 )
  do ( store1 = 6.780 )  ( resid 38 and name HD21 )
  do ( store1 = 112.010 )  ( resid 39 and name N )
  do ( store1 = 7.531 )  ( resid 39 and name HN )
  do ( store1 = 57.740 )  ( resid 39 and name CA )
  do ( store1 = 64.300 )  ( resid 39 and name CB )
  do ( store1 = 172.680 )  ( resid 39 and name C )
  do ( store1 = 4.352 )  ( resid 39 and name HA )
  do ( store1 = 3.703 )  ( resid 39 and name HB* )
  do ( store1 = 123.030 )  ( resid 40 and name N )
  do ( store1 = 7.881 )  ( resid 40 and name HN )
  do ( store1 = 58.770 )  ( resid 40 and name CA )
  do ( store1 = 41.050 )  ( resid 40 and name CB )
  do ( store1 = 173.770 )  ( resid 40 and name C )
  do ( store1 = 2.845 )  ( resid 40 and name HB2 )
  do ( store1 = 2.496 )  ( resid 40 and name HB1 )
  do ( store1 = 4.347 )  ( resid 40 and name HA )
  do ( store1 = 6.546 )  ( resid 40 and name HE* )
  do ( store1 = 6.712 )  ( resid 40 and name HD* )
  do ( store1 = 118.230 )  ( resid 40 and name CE* )
  do ( store1 = 132.810 )  ( resid 40 and name CD* )
  do ( store1 = 121.710 )  ( resid 41 and name N )
  do ( store1 = 7.344 )  ( resid 41 and name HN )
  do ( store1 = 61.450 )  ( resid 41 and name CA )
  do ( store1 = 70.480 )  ( resid 41 and name CB )
  do ( store1 = 172.400 )  ( resid 41 and name C )
  do ( store1 = 21.240 )  ( resid 41 and name CG2 )
  do ( store1 = 3.644 )  ( resid 41 and name HB )
  do ( store1 = 0.895 )  ( resid 41 and name HG2* )
  do ( store1 = 4.144 )  ( resid 41 and name HA )
  do ( store1 = 125.910 )  ( resid 42 and name N )
  do ( store1 = 8.056 )  ( resid 42 and name HN )
  do ( store1 = 60.430 )  ( resid 42 and name CA )
  do ( store1 = 38.290 )  ( resid 42 and name CB )
  do ( store1 = 175.500 )  ( resid 42 and name C )
  do ( store1 = 26.940 )  ( resid 42 and name CG1 )
  do ( store1 = 17.300 )  ( resid 42 and name CG2 )
  do ( store1 = 12.740 )  ( resid 42 and name CD1 )
  do ( store1 = 3.731 )  ( resid 42 and name HA )
  do ( store1 = 1.195 )  ( resid 42 and name HB )
  do ( store1 = 0.158 )  ( resid 42 and name HG2* )
  do ( store1 = -0.030 )  ( resid 42 and name HD1* )
  do ( store1 = 0.457 )  ( resid 42 and name HG11 )
  do ( store1 = 1.020 )  ( resid 42 and name HG12 )
  do ( store1 = 127.960 )  ( resid 43 and name N )
  do ( store1 = 8.371 )  ( resid 43 and name HN )
  do ( store1 = 56.320 )  ( resid 43 and name CA )
  do ( store1 = 33.450 )  ( resid 43 and name CB )
  do ( store1 = 4.230 )  ( resid 43 and name HA )
  do ( store1 = 1.710 )  ( resid 43 and name HB* )
  do ( store1 = 1.380 )  ( resid 43 and name HG2 )
  do ( store1 = 1.290 )  ( resid 43 and name HG1 )
  do ( store1 = 2.910 )  ( resid 43 and name HE* )
  do ( store1 = 1.600 )  ( resid 43 and name HD* )
  do ( store1 = 25.050 )  ( resid 43 and name CG )
  do ( store1 = 28.900 )  ( resid 43 and name CD )
  do ( store1 = 42.080 )  ( resid 43 and name CE )
  do ( store1 = 45.900 )  ( resid 44 and name CA )
  do ( store1 = 175.310 )  ( resid 44 and name C )
  do ( store1 = 4.101 )  ( resid 44 and name HA2 )
  do ( store1 = 3.733 )  ( resid 44 and name HA1 )
  do ( store1 = 120.050 )  ( resid 45 and name N )
  do ( store1 = 7.738 )  ( resid 45 and name HN )
  do ( store1 = 54.580 )  ( resid 45 and name CA )
  do ( store1 = 41.820 )  ( resid 45 and name CB )
  do ( store1 = 177.020 )  ( resid 45 and name C )
  do ( store1 = 25.990 )  ( resid 45 and name CD2 )
  do ( store1 = 20.680 )  ( resid 45 and name CD1 )
  do ( store1 = 4.243 )  ( resid 45 and name HA )
  do ( store1 = 1.576 )  ( resid 45 and name HB2 )
  do ( store1 = 1.014 )  ( resid 45 and name HB1 )
  do ( store1 = 0.388 )  ( resid 45 and name HD2* )
  do ( store1 = -0.203 )  ( resid 45 and name HD1* )
  do ( store1 = 1.090 )  ( resid 45 and name HG )
  do ( store1 = 26.050 )  ( resid 45 and name CG )
  do ( store1 = 124.710 )  ( resid 46 and name N )
  do ( store1 = 8.650 )  ( resid 46 and name HN )
  do ( store1 = 53.460 )  ( resid 46 and name CA )
  do ( store1 = 33.650 )  ( resid 46 and name CB )
  do ( store1 = 4.740 )  ( resid 46 and name HA )
  do ( store1 = 1.710 )  ( resid 46 and name HB1 )
  do ( store1 = 1.520 )  ( resid 46 and name HG2 )
  do ( store1 = 1.820 )  ( resid 46 and name HB2 )
  do ( store1 = 1.440 )  ( resid 46 and name HG1 )
  do ( store1 = 1.640 )  ( resid 46 and name HD* )
  do ( store1 = 2.970 )  ( resid 46 and name HE* )
  do ( store1 = 24.900 )  ( resid 46 and name CG )
  do ( store1 = 29.300 )  ( resid 46 and name CD )
  do ( store1 = 42.400 )  ( resid 46 and name CE )
  do ( store1 = 63.270 )  ( resid 47 and name CA )
  do ( store1 = 32.090 )  ( resid 47 and name CB )
  do ( store1 = 177.430 )  ( resid 47 and name C )
  do ( store1 = 27.580 )  ( resid 47 and name CG )
  do ( store1 = 51.230 )  ( resid 47 and name CD )
  do ( store1 = 4.506 )  ( resid 47 and name HA )
  do ( store1 = 2.207 )  ( resid 47 and name HB2 )
  do ( store1 = 1.880 )  ( resid 47 and name HB1 )
  do ( store1 = 2.050 )  ( resid 47 and name HG2 )
  do ( store1 = 1.940 )  ( resid 47 and name HG1 )
  do ( store1 = 3.920 )  ( resid 47 and name HD2 )
  do ( store1 = 3.670 )  ( resid 47 and name HD1 )
  do ( store1 = 111.390 )  ( resid 48 and name N )
  do ( store1 = 8.704 )  ( resid 48 and name HN )
  do ( store1 = 45.730 )  ( resid 48 and name CA )
  do ( store1 = 173.610 )  ( resid 48 and name C )
  do ( store1 = 4.094 )  ( resid 48 and name HA2 )
  do ( store1 = 3.594 )  ( resid 48 and name HA1 )
  do ( store1 = 121.490 )  ( resid 49 and name N )
  do ( store1 = 7.123 )  ( resid 49 and name HN )
  do ( store1 = 62.000 )  ( resid 49 and name CA )
  do ( store1 = 33.570 )  ( resid 49 and name CB )
  do ( store1 = 174.640 )  ( resid 49 and name C )
  do ( store1 = 22.410 )  ( resid 49 and name CG2 )
  do ( store1 = 20.010 )  ( resid 49 and name CG1 )
  do ( store1 = 3.828 )  ( resid 49 and name HA )
  do ( store1 = 1.853 )  ( resid 49 and name HB )
  do ( store1 = 0.691 )  ( resid 49 and name HG2* )
  do ( store1 = 0.086 )  ( resid 49 and name HG1* )
  do ( store1 = 125.900 )  ( resid 50 and name N )
  do ( store1 = 8.097 )  ( resid 50 and name HN )
  do ( store1 = 62.160 )  ( resid 50 and name CA )
  do ( store1 = 31.630 )  ( resid 50 and name CB )
  do ( store1 = 174.900 )  ( resid 50 and name C )
  do ( store1 = 21.700 )  ( resid 50 and name CG2 )
  do ( store1 = 4.045 )  ( resid 50 and name HA )
  do ( store1 = 1.716 )  ( resid 50 and name HB )
  do ( store1 = 0.740 )  ( resid 50 and name HG2* )
  do ( store1 = 0.784 )  ( resid 50 and name HG1* )
  do ( store1 = 21.000 )  ( resid 50 and name CG1 )
  do ( store1 = 128.610 )  ( resid 51 and name N )
  do ( store1 = 9.220 )  ( resid 51 and name HN )
  do ( store1 = 58.010 )  ( resid 51 and name CA )
  do ( store1 = 40.100 )  ( resid 51 and name CB )
  do ( store1 = 174.750 )  ( resid 51 and name C )
  do ( store1 = 2.062 )  ( resid 51 and name HB2 )
  do ( store1 = 0.841 )  ( resid 51 and name HB1 )
  do ( store1 = 4.411 )  ( resid 51 and name HA )
  do ( store1 = 6.553 )  ( resid 51 and name HD* )
  do ( store1 = 6.866 )  ( resid 51 and name HE* )
  do ( store1 = 118.120 )  ( resid 51 and name CE* )
  do ( store1 = 132.950 )  ( resid 51 and name CD* )
  do ( store1 = 118.750 )  ( resid 52 and name N )
  do ( store1 = 9.026 )  ( resid 52 and name HN )
  do ( store1 = 54.720 )  ( resid 52 and name CA )
  do ( store1 = 32.420 )  ( resid 52 and name CB )
  do ( store1 = 175.470 )  ( resid 52 and name C )
  do ( store1 = 36.400 )  ( resid 52 and name CG )
  do ( store1 = 5.176 )  ( resid 52 and name HA )
  do ( store1 = 2.183 )  ( resid 52 and name HG* )
  do ( store1 = 2.070 )  ( resid 52 and name HB2 )
  do ( store1 = 1.970 )  ( resid 52 and name HB1 )
  do ( store1 = 2.000 )  ( resid 52 and name HB* )
  do ( store1 = 108.850 )  ( resid 53 and name N )
  do ( store1 = 9.246 )  ( resid 53 and name HN )
  do ( store1 = 43.560 )  ( resid 53 and name CA )
  do ( store1 = 173.560 )  ( resid 53 and name C )
  do ( store1 = 5.873 )  ( resid 53 and name HA2 )
  do ( store1 = 3.000 )  ( resid 53 and name HA1 )
  do ( store1 = 119.610 )  ( resid 54 and name N )
  do ( store1 = 9.191 )  ( resid 54 and name HN )
  do ( store1 = 54.350 )  ( resid 54 and name CA )
  do ( store1 = 32.120 )  ( resid 54 and name CB )
  do ( store1 = 173.900 )  ( resid 54 and name C )
  do ( store1 = 33.570 )  ( resid 54 and name CG )
  do ( store1 = 4.976 )  ( resid 54 and name HA )
  do ( store1 = 1.898 )  ( resid 54 and name HG* )
  do ( store1 = 1.561 )  ( resid 54 and name HB* )
  do ( store1 = 110.120 )  ( resid 54 and name NE2 )
  do ( store1 = 6.355 )  ( resid 54 and name HE2* )
  do ( store1 = 125.270 )  ( resid 55 and name N )
  do ( store1 = 9.206 )  ( resid 55 and name HN )
  do ( store1 = 53.340 )  ( resid 55 and name CA )
  do ( store1 = 45.420 )  ( resid 55 and name CB )
  do ( store1 = 175.210 )  ( resid 55 and name C )
  do ( store1 = 26.320 )  ( resid 55 and name CD2 )
  do ( store1 = 24.180 )  ( resid 55 and name CD1 )
  do ( store1 = 5.374 )  ( resid 55 and name HA )
  do ( store1 = 2.035 )  ( resid 55 and name HB2 )
  do ( store1 = 1.473 )  ( resid 55 and name HG )
  do ( store1 = 1.241 )  ( resid 55 and name HB1 )
  do ( store1 = 0.679 )  ( resid 55 and name HD2* )
  do ( store1 = 0.737 )  ( resid 55 and name HD1* )
  do ( store1 = 27.750 )  ( resid 55 and name CG )
  do ( store1 = 130.520 )  ( resid 56 and name N )
  do ( store1 = 9.862 )  ( resid 56 and name HN )
  do ( store1 = 60.520 )  ( resid 56 and name CA )
  do ( store1 = 39.380 )  ( resid 56 and name CB )
  do ( store1 = 175.680 )  ( resid 56 and name C )
  do ( store1 = 28.300 )  ( resid 56 and name CG1 )
  do ( store1 = 18.060 )  ( resid 56 and name CG2 )
  do ( store1 = 13.630 )  ( resid 56 and name CD1 )
  do ( store1 = 4.887 )  ( resid 56 and name HA )
  do ( store1 = 0.662 )  ( resid 56 and name HG2* )
  do ( store1 = 0.988 )  ( resid 56 and name HG11 )
  do ( store1 = 1.385 )  ( resid 56 and name HG12 )
  do ( store1 = 1.894 )  ( resid 56 and name HB )
  do ( store1 = 0.618 )  ( resid 56 and name HD1* )
  do ( store1 = 122.370 )  ( resid 57 and name N )
  do ( store1 = 9.069 )  ( resid 57 and name HN )
  do ( store1 = 56.760 )  ( resid 57 and name CA )
  do ( store1 = 64.330 )  ( resid 57 and name CB )
  do ( store1 = 173.870 )  ( resid 57 and name C )
  do ( store1 = 4.745 )  ( resid 57 and name HA )
  do ( store1 = 3.716 )  ( resid 57 and name HB* )
  do ( store1 = 126.070 )  ( resid 58 and name N )
  do ( store1 = 8.335 )  ( resid 58 and name HN )
  do ( store1 = 61.170 )  ( resid 58 and name CA )
  do ( store1 = 37.610 )  ( resid 58 and name CB )
  do ( store1 = 175.680 )  ( resid 58 and name C )
  do ( store1 = 27.850 )  ( resid 58 and name CG1 )
  do ( store1 = 17.260 )  ( resid 58 and name CG2 )
  do ( store1 = 12.800 )  ( resid 58 and name CD1 )
  do ( store1 = 4.256 )  ( resid 58 and name HA )
  do ( store1 = 1.726 )  ( resid 58 and name HB )
  do ( store1 = 1.263 )  ( resid 58 and name HG12 )
  do ( store1 = 0.764 )  ( resid 58 and name HG2* )
  do ( store1 = 0.862 )  ( resid 58 and name HG11 )
  do ( store1 = 0.606 )  ( resid 58 and name HD1* )
  do ( store1 = 125.780 )  ( resid 59 and name N )
  do ( store1 = 8.458 )  ( resid 59 and name HN )
  do ( store1 = 54.850 )  ( resid 59 and name CA )
  do ( store1 = 30.260 )  ( resid 59 and name CB )
  do ( store1 = 176.530 )  ( resid 59 and name C )
  do ( store1 = 33.980 )  ( resid 59 and name CG )
  do ( store1 = 4.577 )  ( resid 59 and name HA )
  do ( store1 = 2.216 )  ( resid 59 and name HB2 )
  do ( store1 = 1.848 )  ( resid 59 and name HB1 )
  do ( store1 = 2.280 )  ( resid 59 and name HG2 )
  do ( store1 = 2.200 )  ( resid 59 and name HG1 )
  do ( store1 = 111.250 )  ( resid 59 and name NE2 )
  do ( store1 = 7.269 )  ( resid 59 and name HE22 )
  do ( store1 = 6.714 )  ( resid 59 and name HE21 )
  do ( store1 = 120.530 )  ( resid 60 and name N )
  do ( store1 = 8.357 )  ( resid 60 and name HN )
  do ( store1 = 58.010 )  ( resid 60 and name CA )
  do ( store1 = 28.760 )  ( resid 60 and name CB )
  do ( store1 = 176.200 )  ( resid 60 and name C )
  do ( store1 = 33.140 )  ( resid 60 and name CG )
  do ( store1 = 3.840 )  ( resid 60 and name HA )
  do ( store1 = 1.927 )  ( resid 60 and name HG2 )
  do ( store1 = 1.750 )  ( resid 60 and name HB2 )
  do ( store1 = 1.593 )  ( resid 60 and name HB1 )
  do ( store1 = 1.758 )  ( resid 60 and name HG1 )
  do ( store1 = 111.330 )  ( resid 60 and name NE2 )
  do ( store1 = 7.185 )  ( resid 60 and name HE22 )
  do ( store1 = 6.675 )  ( resid 60 and name HE21 )
  do ( store1 = 115.890 )  ( resid 61 and name N )
  do ( store1 = 8.116 )  ( resid 61 and name HN )
  do ( store1 = 57.750 )  ( resid 61 and name CA )
  do ( store1 = 36.820 )  ( resid 61 and name CB )
  do ( store1 = 176.270 )  ( resid 61 and name C )
  do ( store1 = 3.183 )  ( resid 61 and name HB2 )
  do ( store1 = 2.947 )  ( resid 61 and name HB1 )
  do ( store1 = 4.460 )  ( resid 61 and name HA )
  do ( store1 = 6.722 )  ( resid 61 and name HE* )
  do ( store1 = 7.032 )  ( resid 61 and name HD* )
  do ( store1 = 133.130 )  ( resid 61 and name CD* )
  do ( store1 = 118.270 )  ( resid 61 and name CE* )
  do ( store1 = 107.580 )  ( resid 62 and name N )
  do ( store1 = 7.923 )  ( resid 62 and name HN )
  do ( store1 = 45.440 )  ( resid 62 and name CA )
  do ( store1 = 173.950 )  ( resid 62 and name C )
  do ( store1 = 4.128 )  ( resid 62 and name HA2 )
  do ( store1 = 3.542 )  ( resid 62 and name HA1 )
  do ( store1 = 120.270 )  ( resid 63 and name N )
  do ( store1 = 7.610 )  ( resid 63 and name HN )
  do ( store1 = 56.630 )  ( resid 63 and name CA )
  do ( store1 = 31.270 )  ( resid 63 and name CB )
  do ( store1 = 174.240 )  ( resid 63 and name C )
  do ( store1 = 2.960 )  ( resid 63 and name HB* )
  do ( store1 = 4.500 )  ( resid 63 and name HA )
  do ( store1 = 122.080 )  ( resid 64 and name N )
  do ( store1 = 8.093 )  ( resid 64 and name HN )
  do ( store1 = 54.450 )  ( resid 64 and name CA )
  do ( store1 = 31.280 )  ( resid 64 and name CB )
  do ( store1 = 33.700 )  ( resid 64 and name CG )
  do ( store1 = 5.030 )  ( resid 64 and name HA )
  do ( store1 = 2.185 )  ( resid 64 and name HG2 )
  do ( store1 = 2.050 )  ( resid 64 and name HG1 )
  do ( store1 = 1.730 )  ( resid 64 and name HB1 )
  do ( store1 = 1.785 )  ( resid 64 and name HB2 )
  do ( store1 = 110.000 )  ( resid 64 and name NE2 )
  do ( store1 = 7.189 )  ( resid 64 and name HE22 )
  do ( store1 = 6.537 )  ( resid 64 and name HE21 )
  do ( store1 = 1.757 )  ( resid 64 and name HB* )
  do ( store1 = 55.260 )  ( resid 65 and name CA )
  do ( store1 = 32.710 )  ( resid 65 and name CB )
  do ( store1 = 174.930 )  ( resid 65 and name C )
  do ( store1 = 36.350 )  ( resid 65 and name CG )
  do ( store1 = 4.570 )  ( resid 65 and name HA )
  do ( store1 = 2.170 )  ( resid 65 and name HG* )
  do ( store1 = 2.020 )  ( resid 65 and name HB2 )
  do ( store1 = 1.860 )  ( resid 65 and name HB1 )
  do ( store1 = 124.860 )  ( resid 66 and name N )
  do ( store1 = 8.747 )  ( resid 66 and name HN )
  do ( store1 = 62.000 )  ( resid 66 and name CA )
  do ( store1 = 34.130 )  ( resid 66 and name CB )
  do ( store1 = 21.480 )  ( resid 66 and name CG2 )
  do ( store1 = 20.840 )  ( resid 66 and name CG1 )
  do ( store1 = 4.840 )  ( resid 66 and name HA )
  do ( store1 = 0.730 )  ( resid 66 and name HG1* )
  do ( store1 = 0.830 )  ( resid 66 and name HG2* )
  do ( store1 = 1.920 )  ( resid 66 and name HB )
  do ( store1 = 71.090 )  ( resid 67 and name CB )
  do ( store1 = 173.020 )  ( resid 67 and name C )
  do ( store1 = 21.640 )  ( resid 67 and name CG2 )
  do ( store1 = 1.270 )  ( resid 67 and name HG2* )
  do ( store1 = 4.092 )  ( resid 67 and name HB )
  do ( store1 = 4.680 )  ( resid 67 and name HA )
  do ( store1 = 8.908 )  ( resid 67 and name HN )
  do ( store1 = 126.000 )  ( resid 68 and name N )
  do ( store1 = 8.759 )  ( resid 68 and name HN )
  do ( store1 = 55.540 )  ( resid 68 and name CA )
  do ( store1 = 32.550 )  ( resid 68 and name CB )
  do ( store1 = 175.440 )  ( resid 68 and name C )
  do ( store1 = 28.250 )  ( resid 68 and name CG )
  do ( store1 = 43.350 )  ( resid 68 and name CD )
  do ( store1 = 5.146 )  ( resid 68 and name HA )
  do ( store1 = 2.022 )  ( resid 68 and name HB2 )
  do ( store1 = 1.749 )  ( resid 68 and name HB1 )
  do ( store1 = 1.495 )  ( resid 68 and name HG1 )
  do ( store1 = 3.198 )  ( resid 68 and name HD* )
  do ( store1 = 1.634 )  ( resid 68 and name HG2 )
  do ( store1 = 118.950 )  ( resid 69 and name N )
  do ( store1 = 7.991 )  ( resid 69 and name HN )
  do ( store1 = 56.290 )  ( resid 69 and name CA )
  do ( store1 = 39.860 )  ( resid 69 and name CB )
  do ( store1 = 172.300 )  ( resid 69 and name C )
  do ( store1 = 4.938 )  ( resid 69 and name HA )
  do ( store1 = 3.294 )  ( resid 69 and name HB2 )
  do ( store1 = 3.118 )  ( resid 69 and name HB1 )
  do ( store1 = 6.895 )  ( resid 69 and name HD* )
  do ( store1 = 6.837 )  ( resid 69 and name HE* )
  do ( store1 = 6.672 )  ( resid 69 and name HZ )
  do ( store1 = 128.030 )  ( resid 69 and name CZ )
  do ( store1 = 130.600 )  ( resid 69 and name CE* )
  do ( store1 = 132.920 )  ( resid 69 and name CD* )
  do ( store1 = 3.190 )  ( resid 69 and name HB* )
  do ( store1 = 120.110 )  ( resid 70 and name N )
  do ( store1 = 8.570 )  ( resid 70 and name HN )
  do ( store1 = 52.760 )  ( resid 70 and name CA )
  do ( store1 = 42.900 )  ( resid 70 and name CB )
  do ( store1 = 176.710 )  ( resid 70 and name C )
  do ( store1 = 5.983 )  ( resid 70 and name HA )
  do ( store1 = 2.538 )  ( resid 70 and name HB* )
  do ( store1 = 116.700 )  ( resid 71 and name N )
  do ( store1 = 9.475 )  ( resid 71 and name HN )
  do ( store1 = 57.100 )  ( resid 71 and name CA )
  do ( store1 = 41.750 )  ( resid 71 and name CB )
  do ( store1 = 172.220 )  ( resid 71 and name C )
  do ( store1 = 3.265 )  ( resid 71 and name HB* )
  do ( store1 = 5.290 )  ( resid 71 and name HA )
  do ( store1 = 6.420 )  ( resid 71 and name HZ )
  do ( store1 = 6.740 )  ( resid 71 and name HE* )
  do ( store1 = 6.888 )  ( resid 71 and name HD* )
  do ( store1 = 129.050 )  ( resid 71 and name CZ )
  do ( store1 = 130.670 )  ( resid 71 and name CE* )
  do ( store1 = 132.920 )  ( resid 71 and name CD* )
  do ( store1 = 110.540 )  ( resid 72 and name N )
  do ( store1 = 8.623 )  ( resid 72 and name HN )
  do ( store1 = 59.680 )  ( resid 72 and name CA )
  do ( store1 = 72.550 )  ( resid 72 and name CB )
  do ( store1 = 175.230 )  ( resid 72 and name C )
  do ( store1 = 21.070 )  ( resid 72 and name CG2 )
  do ( store1 = 5.007 )  ( resid 72 and name HA )
  do ( store1 = 4.473 )  ( resid 72 and name HB )
  do ( store1 = 1.165 )  ( resid 72 and name HG2* )
  do ( store1 = 111.590 )  ( resid 73 and name N )
  do ( store1 = 9.434 )  ( resid 73 and name HN )
  do ( store1 = 63.160 )  ( resid 73 and name CA )
  do ( store1 = 69.190 )  ( resid 73 and name CB )
  do ( store1 = 175.600 )  ( resid 73 and name C )
  do ( store1 = 23.150 )  ( resid 73 and name CG2 )
  do ( store1 = 4.340 )  ( resid 73 and name HA )
  do ( store1 = 1.123 )  ( resid 73 and name HG2* )
  do ( store1 = 4.310 )  ( resid 73 and name HB )
  do ( store1 = 112.180 )  ( resid 74 and name N )
  do ( store1 = 8.116 )  ( resid 74 and name HN )
  do ( store1 = 61.630 )  ( resid 74 and name CA )
  do ( store1 = 69.700 )  ( resid 74 and name CB )
  do ( store1 = 174.900 )  ( resid 74 and name C )
  do ( store1 = 21.500 )  ( resid 74 and name CG2 )
  do ( store1 = 4.301 )  ( resid 74 and name HB )
  do ( store1 = 4.486 )  ( resid 74 and name HA )
  do ( store1 = 1.144 )  ( resid 74 and name HG2* )
  do ( store1 = 118.450 )  ( resid 75 and name N )
  do ( store1 = 8.067 )  ( resid 75 and name HN )
  do ( store1 = 59.180 )  ( resid 75 and name CA )
  do ( store1 = 64.390 )  ( resid 75 and name CB )
  do ( store1 = 174.090 )  ( resid 75 and name C )
  do ( store1 = 3.895 )  ( resid 75 and name HB* )
  do ( store1 = 4.540 )  ( resid 75 and name HA )
  do ( store1 = 114.140 )  ( resid 76 and name N )
  do ( store1 = 8.201 )  ( resid 76 and name HN )
  do ( store1 = 61.630 )  ( resid 76 and name CA )
  do ( store1 = 70.210 )  ( resid 76 and name CB )
  do ( store1 = 174.290 )  ( resid 76 and name C )
  do ( store1 = 21.710 )  ( resid 76 and name CG2 )
  do ( store1 = 4.219 )  ( resid 76 and name HB )
  do ( store1 = 4.573 )  ( resid 76 and name HA )
  do ( store1 = 1.139 )  ( resid 76 and name HG2* )
  do ( store1 = 117.660 )  ( resid 77 and name N )
  do ( store1 = 8.414 )  ( resid 77 and name HN )
  do ( store1 = 58.140 )  ( resid 77 and name CA )
  do ( store1 = 64.230 )  ( resid 77 and name CB )
  do ( store1 = 174.160 )  ( resid 77 and name C )
  do ( store1 = 4.540 )  ( resid 77 and name HA )
  do ( store1 = 3.800 )  ( resid 77 and name HB* )
  do ( store1 = 117.530 )  ( resid 78 and name N )
  do ( store1 = 8.197 )  ( resid 78 and name HN )
  do ( store1 = 59.890 )  ( resid 78 and name CA )
  do ( store1 = 69.600 )  ( resid 78 and name CB )
  do ( store1 = 4.114 )  ( resid 78 and name HB )
  do ( store1 = 1.154 )  ( resid 78 and name HG2* )
  do ( store1 = 4.580 )  ( resid 78 and name HA )
  do ( store1 = 21.600 )  ( resid 78 and name CG2 )
  do ( store1 = 63.900 )  ( resid 79 and name CA )
  do ( store1 = 32.150 )  ( resid 79 and name CB )
  do ( store1 = 177.590 )  ( resid 79 and name C )
  do ( store1 = 27.560 )  ( resid 79 and name CG )
  do ( store1 = 4.330 )  ( resid 79 and name HA )
  do ( store1 = 2.220 )  ( resid 79 and name HB2 )
  do ( store1 = 1.880 )  ( resid 79 and name HB1 )
  do ( store1 = 1.978 )  ( resid 79 and name HG* )
  do ( store1 = 3.642 )  ( resid 79 and name HD1 )
  do ( store1 = 3.784 )  ( resid 79 and name HD2 )
  do ( store1 = 51.000 )  ( resid 79 and name CD )
  do ( store1 = 109.600 )  ( resid 80 and name N )
  do ( store1 = 8.480 )  ( resid 80 and name HN )
  do ( store1 = 45.300 )  ( resid 80 and name CA )
  do ( store1 = 3.917 )  ( resid 80 and name HA* )
  do ( store1 = 58.300 )  ( resid 81 and name CA )
  do ( store1 = 63.900 )  ( resid 81 and name CB )
  do ( store1 = 4.352 )  ( resid 81 and name HA )
  do ( store1 = 3.757 )  ( resid 81 and name HB* )
  do ( store1 = 56.140 )  ( resid 82 and name CA )
  do ( store1 = 30.800 )  ( resid 82 and name CB )
  do ( store1 = 176.350 )  ( resid 82 and name C )
  do ( store1 = 27.140 )  ( resid 82 and name CG )
  do ( store1 = 43.380 )  ( resid 82 and name CD )
  do ( store1 = 4.320 )  ( resid 82 and name HA )
  do ( store1 = 1.770 )  ( resid 82 and name HB2 )
  do ( store1 = 1.650 )  ( resid 82 and name HB1 )
  do ( store1 = 1.530 )  ( resid 82 and name HG* )
  do ( store1 = 3.080 )  ( resid 82 and name HD* )
  do ( store1 = 116.470 )  ( resid 83 and name N )
  do ( store1 = 8.200 )  ( resid 83 and name HN )
  do ( store1 = 58.200 )  ( resid 83 and name CA )
  do ( store1 = 63.700 )  ( resid 83 and name CB )
  do ( store1 = 4.350 )  ( resid 83 and name HA )
  do ( store1 = 3.750 )  ( resid 83 and name HB* )
  do ( store1 = 56.250 )  ( resid 88 and name CA )
  do ( store1 = 30.690 )  ( resid 88 and name CB )
  do ( store1 = 174.110 )  ( resid 88 and name C )
  do ( store1 = 4.510 )  ( resid 88 and name HA )
  do ( store1 = 2.970 )  ( resid 88 and name HB* )
  do ( store1 = 125.600 )  ( resid 89 and name N )
  do ( store1 = 7.880 )  ( resid 89 and name HN )
  do ( store1 = 57.400 )  ( resid 89 and name CA )
  do ( store1 = 30.920 )  ( resid 89 and name CB )
  do ( store1 = 4.344 )  ( resid 89 and name HA )
  do ( store1 = 3.079 )  ( resid 89 and name HB2 )
  do ( store1 = 2.944 )  ( resid 89 and name HB1 )
  do ( store1 = 7.017 )  ( resid 19 and name HH2 )
  do ( store1 = 7.330 )  ( resid 19 and name HZ2 )
  do ( store1 = 7.161 )  ( resid 19 and name HE3 )
  do ( store1 = 6.805 )  ( resid 19 and name HZ3 )
  do ( store1 = 114.900 )  ( resid 19 and name CZ2 )
  do ( store1 = 121.700 )  ( resid 19 and name CE3 )
  do ( store1 = 121.630 )  ( resid 19 and name CZ3 )
  do ( store1 = 124.020 )  ( resid 19 and name CH2 )
  do ( store1 = 125.460 )  ( resid 19 and name CD1 )
  do ( store1 = 6.618 )  ( resid 19 and name HD1 )
  do ( store1 = 128.510 )  ( resid 19 and name NE1 )
  do ( store1 = 9.836 )  ( resid 19 and name HE1 )
  do ( store1 = 6.938 )  ( resid 28 and name HH2 )
  do ( store1 = 7.298 )  ( resid 28 and name HZ2 )
  do ( store1 = 7.219 )  ( resid 28 and name HE3 )
  do ( store1 = 6.924 )  ( resid 28 and name HZ3 )
  do ( store1 = 114.760 )  ( resid 28 and name CZ2 )
  do ( store1 = 119.420 )  ( resid 28 and name CE3 )
  do ( store1 = 121.590 )  ( resid 28 and name CZ3 )
  do ( store1 = 124.310 )  ( resid 28 and name CH2 )
  do ( store1 = 128.000 )  ( resid 28 and name CD1 )
  do ( store1 = 7.291 )  ( resid 28 and name HD1 )
  do ( store1 = 130.350 )  ( resid 28 and name NE1 )
  do ( store1 = 10.004 )  ( resid 28 and name HE1 )




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