*HEADER    PEPTIDE BINDING PROTEIN                 20-JAN-12   2LOB              
*TITLE     PDZ DOMAIN OF CAL (CYSTIC FIBROSIS TRANSMEMBRANE REGULATOR-ASSOCIATED 
*TITLE    2 LIGAND)                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GOLGI-ASSOCIATED PDZ AND COILED-COIL MOTIF-CONTAINING      
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: PDZ DOMAIN RESIDUES 286-370;                               
*COMPND   6 SYNONYM: CFTR-ASSOCIATED LIGAND, FUSED IN GLIOBLASTOMA, PDZ PROTEIN  
*COMPND   7 INTERACTING SPECIFICALLY WITH TC10, PIST;                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR;       
*COMPND  11 CHAIN: B;                                                            
*COMPND  12 FRAGMENT: PDZ-BINDING MOTIF RESIDUES 1473-1480;                      
*COMPND  13 SYNONYM: CFTR, ATP-BINDING CASSETTE SUB-FAMILY C MEMBER 7, CHANNEL   
*COMPND  14 CONDUCTANCE-CONTROLLING ATPASE, CAMP-DEPENDENT CHLORIDE CHANNEL;     
*COMPND  15 EC: 3.6.3.49;                                                        
*COMPND  16 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: GOPC, CAL, FIG;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PHCALP5;                                   
*SOURCE   9 MOL_ID: 2                                                            
*KEYWDS    STRUCTURAL PROTEIN-HYDROLASE COMPLEX, PEPTIDE BINDING PROTEIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    7                                                                     
*AUTHOR    A.PISERCHIO, A.FELLOWS, D.R.MADDEN, D.F.MIERKE                        
*REVDAT   1   13-JUN-12 2LOB    0                                                


assign (resid 27  and name  ha#  ) (resid 28  and name  hn   )   2.325  0.695  0.695
assign (resid 28  and name  ha   ) (resid 28  and name  hn   )   2.900  0.870  0.870
assign (resid 28  and name  hb   ) (resid 28  and name  hn   )   2.085  0.625  0.625
assign (resid 28  and name  hd#  ) (resid 28  and name  hn   )   3.930  1.180  1.180
assign (resid 28  and name  hg2# ) (resid 28  and name  hn   )   2.370  0.710  0.710
assign (resid 28  and name  ha   ) (resid 29  and name  hn   )   2.225  0.665  0.665
assign (resid 28  and name  hb   ) (resid 29  and name  hn   )   2.495  0.745  1.234 ! 20% added
assign (resid 28  and name  hg2# ) (resid 29  and name  hn   )   2.370  0.710  0.710
assign (resid 28  and name  hn   ) (resid 29  and name  hn   )   3.840  1.150  1.150
assign (resid 29  and name  ha   ) (resid 29  and name  hn   )   2.865  0.855  0.855
assign (resid 29  and name  hd#  ) (resid 29  and name  hn   )   3.645  1.095  1.095
assign (resid 30  and name  hn   ) (resid 29  and name  hn   )   3.475  1.045  1.045
assign (resid 108  and name  ha   ) (resid 29  and name  hn   )   3.870  1.160  1.160
assign (resid 108  and name  hb1  ) (resid 29  and name  hn   )   3.245  0.975  0.975
assign (resid 108  and name  hb2  ) (resid 29  and name  hn   )   3.300  0.990  0.990
assign (resid 109  and name  hn   ) (resid 29  and name  hn   )   2.840  0.850  0.850
assign (resid 110  and name  ha   ) (resid 29  and name  hn   )   3.415  1.025  1.025
assign (resid 29  and name  ha   ) (resid 30  and name  hn   )   1.910  0.570  0.570
assign (resid 29  and name  hb1  ) (resid 30  and name  hn   )   2.705  0.815  0.815
assign (resid 30  and name  ha   ) (resid 30  and name  hn   )   2.715  0.815  0.815
assign (resid 30  and name  hb1  ) (resid 30  and name  hn   )   2.325  0.695  0.695
assign (resid 30  and name  hd#  ) (resid 30  and name  hn   )   3.070  0.920  0.920
assign (resid 30  and name  hg#  ) (resid 30  and name  hn   )   3.125  0.935  0.935
assign (resid 30  and name  ha   ) (resid 31  and name  hn   )   2.170  0.650  0.650
assign (resid 30  and name  hg#  ) (resid 31  and name  hn   )   3.285  0.985  0.985
assign (resid 30  and name  hn   ) (resid 31  and name  hn   )   3.460  1.040  1.040
assign (resid 31  and name  ha   ) (resid 31  and name  hn   )   2.910  0.870  0.870
assign (resid 31  and name  hb   ) (resid 31  and name  hn   )   2.530  0.760  0.760
assign (resid 31  and name  hg#  ) (resid 31  and name  hn   )   2.515  0.755  0.755
assign (resid 32  and name  hn   ) (resid 31  and name  hn   )   3.445  1.035  1.035
assign (resid 107  and name  hb1  ) (resid 31  and name  hn   )   3.645  1.095  1.095
assign (resid 107  and name  hb2  ) (resid 31  and name  hn   )   3.345  1.005  1.005
assign (resid 108  and name  ha   ) (resid 31  and name  hn   )   3.040  0.910  0.910
assign (resid 31  and name  ha   ) (resid 32  and name  hn   )   2.025  0.605  0.605
assign (resid 31  and name  hb   ) (resid 32  and name  hn   )   3.170  0.950  0.950
assign (resid 32  and name  ha   ) (resid 32  and name  hn   )   2.770  0.830  0.830
assign (resid 32  and name  hb#  ) (resid 32  and name  hn   )   2.210  0.660  0.660
assign (resid 32  and name  hd#  ) (resid 32  and name  hn   )   2.315  0.695  0.695
assign (resid 32  and name  hg   ) (resid 32  and name  hn   )   3.730  1.120  1.120
assign (resid 32  and name  ha   ) (resid 33  and name  hn   )   2.055  0.615  0.615
assign (resid 32  and name  hn   ) (resid 33  and name  hn   )   3.400  1.020  1.020
assign (resid 33  and name  ha   ) (resid 33  and name  hn   )   2.840  0.850  0.850
assign (resid 33  and name  hb1  ) (resid 33  and name  hn   )   2.310  0.690  0.690
assign (resid 33  and name  hb2  ) (resid 33  and name  hn   )   2.690  0.810  0.810
assign (resid 33  and name  hd2# ) (resid 33  and name  hn   )   3.460  1.040  1.040
assign (resid 34  and name  hn   ) (resid 33  and name  hn   )   3.935  1.185  1.185
assign (resid 33  and name  ha   ) (resid 34  and name  hn   )   2.085  0.625  0.625
assign (resid 34  and name  ha   ) (resid 34  and name  hn   )   2.915  0.875  0.875
assign (resid 34  and name  hb#  ) (resid 34  and name  hn   )   2.215  0.665  0.665
assign (resid 65  and name  hb2  ) (resid 34  and name  hn   )   4.080  1.220  8.220 ! `Taken out
assign (resid 34  and name  ha   ) (resid 35  and name  hn   )   2.100  0.630  0.630
assign (resid 34  and name  hg#  ) (resid 35  and name  hn   )   2.780  0.830  1.608 ! 10% added 0.5
assign (resid 35  and name  ha   ) (resid 35  and name  hn   )   2.800  0.840  0.840
assign (resid 35  and name  hb#  ) (resid 35  and name  hn   )   2.615  0.785  0.785
assign (resid 35  and name  hg#  ) (resid 35  and name  hn   )   3.185  0.955  0.955
assign (resid 103  and name  ha1  ) (resid 35  and name  hn   )   3.810  1.140  1.140
assign (resid 103  and name  ha2  ) (resid 35  and name  hn   )   4.255  1.275  1.275
assign (resid 104  and name  ha   ) (resid 35  and name  hn   )   2.690  0.810  0.810
assign (resid 35  and name  ha   ) (resid 36  and name  hn   )   2.485  0.745  0.745
assign (resid 35  and name  hb#  ) (resid 36  and name  hn   )   2.745  0.825  0.825
assign (resid 35  and name  hn   ) (resid 36  and name  hn   )   3.830  1.150  1.150
assign (resid 36  and name  ha   ) (resid 36  and name  hn   )   2.360  0.710  0.710
assign (resid 36  and name  hb#  ) (resid 36  and name  hn   )   2.555  0.765  0.765
assign (resid 36  and name  hg#  ) (resid 36  and name  hn   )   2.930  0.880  0.880
assign (resid 38  and name  ha   ) (resid 39  and name  hn   )   3.070  0.920  0.920
assign (resid 39  and name  ha   ) (resid 39  and name  hn   )   2.930  0.880  0.880
assign (resid 39  and name  hb#  ) (resid 39  and name  hn   )   2.740  0.820  0.820
assign (resid 39  and name  ha   ) (resid 40  and name  hn   )   3.270  0.980  0.980
assign (resid 39  and name  hb#  ) (resid 40  and name  hn   )   3.445  1.035  1.035
assign (resid 40  and name  ha1  ) (resid 40  and name  hn   )   3.705  1.115  1.115
assign (resid 43  and name  ha   ) (resid 44  and name  hn   )   2.895  0.865  0.865
assign (resid 43  and name  hb   ) (resid 44  and name  hn   )   2.655  0.795  0.795
assign (resid 44  and name  ha   ) (resid 44  and name  hn   )   2.430  0.730  0.730
assign (resid 44  and name  hb1  ) (resid 44  and name  hn   )   3.200  0.960  0.960
assign (resid 44  and name  hb2  ) (resid 44  and name  hn   )   3.565  1.065  1.065
assign (resid 59  and name  hn   ) (resid 44  and name  hn   )   2.880  0.860  0.860
assign (resid 60  and name  ha   ) (resid 44  and name  hn   )   3.615  1.085  1.085
assign (resid 61  and name  hd2  ) (resid 44  and name  hn   )   3.955  1.185  1.185
assign (resid 44  and name  hb2  ) (resid 45  and name  hn   )   3.815  1.145  1.145
assign (resid 44  and name  ha   ) (resid 45  and name  hn   )   3.100  0.930  0.930
assign (resid 44  and name  hb1  ) (resid 45  and name  hn   )   3.880  1.160  1.160
assign (resid 45  and name  ha   ) (resid 45  and name  hn   )   4.015  1.205  1.205
assign (resid 45  and name  hb   ) (resid 45  and name  hn   )   4.095  1.225  1.225
assign (resid 45  and name  hd#  ) (resid 45  and name  hn   )   3.970  1.190  1.190
assign (resid 45  and name  hg11 ) (resid 45  and name  hn   )   3.230  0.970  0.970
assign (resid 45  and name  hg12 ) (resid 45  and name  hn   )   3.425  1.025  1.025
assign (resid 45  and name  hg2# ) (resid 45  and name  hn   )   3.685  1.105  1.105
assign (resid 45  and name  ha   ) (resid 46  and name  hn   )   2.475  0.745  0.745
assign (resid 45  and name  hb   ) (resid 46  and name  hn   )   2.930  0.880  0.880
assign (resid 45  and name  hg12 ) (resid 46  and name  hn   )   3.445  1.035  1.035
assign (resid 45  and name  hg2# ) (resid 46  and name  hn   )   3.155  0.945  0.945
assign (resid 45  and name  hn   ) (resid 46  and name  hn   )   3.580  1.070  1.070
assign (resid 46  and name  ha   ) (resid 46  and name  hn   )   3.200  0.960  0.960
assign (resid 46  and name  hb   ) (resid 46  and name  hn   )   3.645  1.095  1.095
assign (resid 46  and name  hg2# ) (resid 46  and name  hn   )   2.845  0.855  0.855
assign (resid 55  and name  ha   ) (resid 46  and name  hn   )   3.570  1.070  1.070
assign (resid 55  and name  hb   ) (resid 46  and name  hn   )   3.925  1.175  1.175
assign (resid 55  and name  hd#  ) (resid 46  and name  hn   )   3.390  1.020  1.020
assign (resid 56  and name  hn   ) (resid 46  and name  hn   )   3.305  0.995  0.995
assign (resid 46  and name  ha   ) (resid 47  and name  hn   )   2.910  0.870  0.870
assign (resid 46  and name  hb   ) (resid 47  and name  hn   )   2.945  0.885  0.885
assign (resid 46  and name  hg2# ) (resid 47  and name  hn   )   3.060  0.920  0.920
assign (resid 47  and name  ha1  ) (resid 47  and name  hn   )   2.740  0.820  0.820
assign (resid 48  and name  hn   ) (resid 47  and name  hn   )   3.270  0.980  0.980
assign (resid 47  and name  ha1  ) (resid 48  and name  hn   )   2.915  0.875  0.875
assign (resid 48  and name  ha1  ) (resid 48  and name  hn   )   2.840  0.850  0.850
assign (resid 48  and name  ha2  ) (resid 48  and name  hn   )   2.425  0.725  0.725
assign (resid 55  and name  ha   ) (resid 48  and name  hn   )   3.300  0.990  0.990
assign (resid 48  and name  ha1  ) (resid 49  and name  hn   )   3.055  0.915  0.915
assign (resid 49  and name  ha   ) (resid 49  and name  hn   )   2.970  0.890  0.890
assign (resid 49  and name  hb1  ) (resid 49  and name  hn   )   3.060  0.920  0.920
assign (resid 49  and name  hb2  ) (resid 49  and name  hn   )   3.165  0.945  0.945
assign (resid 50  and name  ha   ) (resid 51  and name  hn   )   3.440  1.030  1.030
assign (resid 50  and name  hb#  ) (resid 51  and name  hn   )   3.660  1.100  1.100
assign (resid 51  and name  hb1  ) (resid 51  and name  hn   )   3.060  0.920  0.920
assign (resid 51  and name  hb2  ) (resid 51  and name  hn   )   3.470  1.040  1.040
assign (resid 51  and name  hd2  ) (resid 51  and name  hn   )   3.800  1.140  1.140
assign (resid 53  and name  hn   ) (resid 51  and name  hn   )   3.460  1.040  1.040
assign (resid 51  and name  ha   ) (resid 52  and name  hn   )   2.175  0.655  0.655
assign (resid 51  and name  hb1  ) (resid 52  and name  hn   )   3.895  1.165  1.165
assign (resid 51  and name  hb2  ) (resid 52  and name  hn   )   3.905  1.175  1.175
assign (resid 52  and name  ha1  ) (resid 52  and name  hn   )   2.710  0.810  0.810
assign (resid 52  and name  ha2  ) (resid 52  and name  hn   )   2.670  0.800  0.800
assign (resid 53  and name  hn   ) (resid 52  and name  hn   )   2.830  0.850  0.850
assign (resid 51  and name  hb1  ) (resid 53  and name  hn   )   3.170  0.950  0.950
assign (resid 51  and name  hb2  ) (resid 53  and name  hn   )   3.195  0.955  0.955
assign (resid 52  and name  ha1  ) (resid 53  and name  hn   )   3.040  0.910  0.910
assign (resid 52  and name  ha2  ) (resid 53  and name  hn   )   2.915  0.875  0.875
assign (resid 53  and name  ha   ) (resid 53  and name  hn   )   2.675  0.805  0.805
assign (resid 53  and name  hb   ) (resid 53  and name  hn   )   3.265  0.975  0.975
assign (resid 53  and name  hg1# ) (resid 53  and name  hn   )   2.455  0.735  0.735
assign (resid 53  and name  hg2# ) (resid 53  and name  hn   )   2.585  0.775  0.775
assign (resid 54  and name  ha   ) (resid 55  and name  hn   )   2.530  0.760  0.760
assign (resid 54  and name  hb1  ) (resid 55  and name  hn   )   2.890  0.870  0.870
assign (resid 54  and name  hb2  ) (resid 55  and name  hn   )   2.855  0.855  0.855
assign (resid 55  and name  ha   ) (resid 55  and name  hn   )   3.245  0.975  0.975
assign (resid 55  and name  hb   ) (resid 55  and name  hn   )   2.530  0.760  0.760
assign (resid 55  and name  hd#  ) (resid 55  and name  hn   )   3.105  0.935  0.935
assign (resid 55  and name  hg11 ) (resid 55  and name  hn   )   2.860  0.860  0.860
assign (resid 55  and name  hg12 ) (resid 55  and name  hn   )   2.860  0.860  0.860
assign (resid 55  and name  hg2# ) (resid 55  and name  hn   )   3.385  1.015  1.015
assign (resid 78  and name  hb   ) (resid 55  and name  hn   )   3.295  0.985  1.985 ! 1 added
assign (resid 45  and name  ha   ) (resid 56  and name  hn   )   3.725  1.115  1.615 !0.5 added
assign (resid 55  and name  ha   ) (resid 56  and name  hn   )   2.185  0.655  0.655
assign (resid 56  and name  ha   ) (resid 56  and name  hn   )   3.170  0.950  0.950
assign (resid 56  and name  hb1  ) (resid 56  and name  hn   )   3.040  0.910  0.910
assign (resid 56  and name  hb2  ) (resid 56  and name  hn   )   2.860  0.860  0.860
assign (resid 56  and name  hd1# ) (resid 56  and name  hn   )   3.370  1.010  1.010
assign (resid 56  and name  hd2# ) (resid 56  and name  hn   )   2.940  0.880  0.880
assign (resid 56  and name  hg   ) (resid 56  and name  hn   )   2.940  0.880  0.880
assign (resid 56  and name  ha   ) (resid 57  and name  hn   )   2.370  0.710  0.710
assign (resid 56  and name  hn   ) (resid 57  and name  hn   )   3.500  1.650  1.050
assign (resid 57  and name  ha   ) (resid 57  and name  hn   )   3.070  0.920  0.920
assign (resid 57  and name  hb   ) (resid 57  and name  hn   )   2.575  0.775  0.775
assign (resid 57  and name  hg1# ) (resid 57  and name  hn   )   2.740  0.820  0.820
assign (resid 78  and name  hn   ) (resid 57  and name  hn   )   3.180  0.950  0.950
assign (resid 44  and name  hb1  ) (resid 58  and name  hn   )   4.155  1.245  1.245
assign (resid 44  and name  hb2  ) (resid 58  and name  hn   )   3.440  1.030  1.030
assign (resid 44  and name  hn   ) (resid 58  and name  hn   )   3.745  1.125  1.125
assign (resid 45  and name  ha   ) (resid 58  and name  hn   )   2.725  0.815  0.815
assign (resid 57  and name  ha   ) (resid 58  and name  hn   )   2.370  0.710  0.710
assign (resid 57  and name  hb   ) (resid 58  and name  hn   )   3.715  1.115  1.115
assign (resid 57  and name  hn   ) (resid 58  and name  hn   )   3.810  1.140  1.140
assign (resid 58  and name  ha   ) (resid 58  and name  hn   )   3.170  0.950  0.950
assign (resid 58  and name  hb#  ) (resid 58  and name  hn   )   3.455  1.035  1.035
assign (resid 59  and name  hn   ) (resid 58  and name  hn   )   2.515  0.755  0.755
assign (resid 43  and name  ha   ) (resid 59  and name  hn   )   3.445  1.035  1.435 !0.4 added
assign (resid 44  and name  hb1  ) (resid 59  and name  hn   )   3.130  0.940  0.940
assign (resid 44  and name  hb2  ) (resid 59  and name  hn   )   3.270  0.980  0.980
assign (resid 45  and name  ha   ) (resid 59  and name  hn   )   3.360  1.010  1.010
assign (resid 58  and name  ha   ) (resid 59  and name  hn   )   3.085  0.925  0.925
assign (resid 58  and name  hb#  ) (resid 59  and name  hn   )   3.475  1.045  1.045
assign (resid 59  and name  ha   ) (resid 59  and name  hn   )   2.825  0.845  0.845
assign (resid 59  and name  hb#  ) (resid 59  and name  hn   )   2.810  0.840  0.840
assign (resid 59  and name  hg1  ) (resid 59  and name  hn   )   3.540  1.060  1.060
assign (resid 59  and name  hg2  ) (resid 59  and name  hn   )   3.595  1.075  1.075
assign (resid 59  and name  ha   ) (resid 60  and name  hn   )   2.085  0.625  0.625
assign (resid 59  and name  hn   ) (resid 60  and name  hn   )   3.390  1.020  1.020
assign (resid 60  and name  hb   ) (resid 60  and name  hn   )   2.370  0.710  0.710
assign (resid 60  and name  hd#  ) (resid 60  and name  hn   )   3.460  1.040  1.040
assign (resid 60  and name  hg2# ) (resid 60  and name  hn   )   3.110  0.930  0.930
assign (resid 43  and name  ha   ) (resid 61  and name  hn   )   3.145  0.945  0.945
assign (resid 60  and name  ha   ) (resid 61  and name  hn   )   2.325  0.695  0.695
assign (resid 60  and name  hg2# ) (resid 61  and name  hn   )   2.715  0.815  0.815
assign (resid 61  and name  ha   ) (resid 61  and name  hn   )   2.985  0.895  0.895
assign (resid 61  and name  hb1  ) (resid 61  and name  hn   )   2.970  0.890  0.890
assign (resid 61  and name  hb2  ) (resid 61  and name  hn   )   3.125  0.935  0.935
assign (resid 61  and name  hd2  ) (resid 61  and name  hn   )   3.260  0.980  0.980
assign (resid 61  and name  he1  ) (resid 61  and name  hn   )   3.625  1.085  1.085
assign (resid 61  and name  hd1  ) (resid 61  and name  hn   )   3.475  1.045  1.045
assign (resid 62  and name  ha   ) (resid 63  and name  hn   )   2.540  0.760  0.760
assign (resid 62  and name  hb1  ) (resid 63  and name  hn   )   3.855  1.155  1.155
assign (resid 62  and name  hb2  ) (resid 63  and name  hn   )   3.240  0.970  0.970
assign (resid 63  and name  ha1  ) (resid 63  and name  hn   )   2.800  0.840  0.840
assign (resid 63  and name  ha2  ) (resid 63  and name  hn   )   2.760  0.830  0.830
assign (resid 64  and name  hn   ) (resid 63  and name  hn   )   2.970  0.890  0.890
assign (resid 67  and name  hb#  ) (resid 63  and name  hn   )   2.955  0.885  0.885
assign (resid 61  and name  hb1  ) (resid 64  and name  hn   )   3.085  0.925  0.925
assign (resid 61  and name  hb2  ) (resid 64  and name  hn   )   3.625  1.085  1.085
assign (resid 62  and name  ha   ) (resid 64  and name  hn   )   3.655  1.095  1.095
assign (resid 63  and name  ha1  ) (resid 64  and name  hn   )   3.425  1.025  1.025
assign (resid 63  and name  ha2  ) (resid 64  and name  hn   )   2.900  0.870  0.870
assign (resid 64  and name  ha   ) (resid 64  and name  hn   )   2.840  0.850  0.850
assign (resid 64  and name  hb1  ) (resid 64  and name  hn   )   2.390  0.720  0.720
assign (resid 64  and name  hb2  ) (resid 64  and name  hn   )   3.070  0.920  0.920
assign (resid 64  and name  hg#  ) (resid 64  and name  he21 )   3.485  1.045  1.045
assign (resid 64  and name  hg#  ) (resid 64  and name  he22 )   3.075  0.925  0.925
assign (resid 65  and name  ha   ) (resid 66  and name  hn   )   3.725  1.115  1.115
assign (resid 65  and name  hb1  ) (resid 66  and name  hn   )   3.670  1.100  1.100
assign (resid 65  and name  hb2  ) (resid 66  and name  hn   )   3.830  1.150  1.150
assign (resid 66  and name  ha   ) (resid 66  and name  hn   )   3.190  0.960  0.960
assign (resid 66  and name  hb#  ) (resid 66  and name  hn   )   2.725  0.815  0.815
assign (resid 66  and name  ha   ) (resid 67  and name  hn   )   3.330  1.000  1.000
assign (resid 66  and name  hb#  ) (resid 67  and name  hn   )   2.995  0.895  0.895
assign (resid 66  and name  hn   ) (resid 67  and name  hn   )   3.030  0.910  0.910
assign (resid 67  and name  ha   ) (resid 67  and name  hn   )   2.875  0.865  0.865
assign (resid 67  and name  hb#  ) (resid 67  and name  hn   )   2.715  0.815  0.815
assign (resid 68  and name  hn   ) (resid 67  and name  hn   )   2.925  0.875  0.875
assign (resid 69  and name  hn   ) (resid 67  and name  hn   )   3.740  1.120  1.120
assign (resid 64  and name  ha   ) (resid 68  and name  hn   )   3.400  1.020  1.020
assign (resid 65  and name  ha   ) (resid 68  and name  hn   )   2.870  0.860  0.860
assign (resid 67  and name  ha   ) (resid 68  and name  hn   )   2.745  0.825  0.825
assign (resid 67  and name  hb#  ) (resid 68  and name  hn   )   2.690  0.810  0.810
assign (resid 68  and name  ha   ) (resid 68  and name  hn   )   2.600  0.780  0.780
assign (resid 68  and name  hd#  ) (resid 68  and name  hn   )   3.570  1.070  1.070
assign (resid 68  and name  hg#  ) (resid 68  and name  hn   )   2.760  0.830  0.830
assign (resid 68  and name  hg#  ) (resid 68  and name  hn   )   2.525  0.755  0.755
assign (resid 69  and name  hn   ) (resid 68  and name  hn   )   2.770  0.830  0.830
assign (resid 70  and name  hn   ) (resid 68  and name  hn   )   3.770  1.130  1.130
assign (resid 66  and name  ha   ) (resid 69  and name  hn   )   3.130  0.940  0.940
assign (resid 67  and name  ha   ) (resid 69  and name  hn   )   3.675  1.105  1.105
assign (resid 68  and name  ha   ) (resid 69  and name  hn   )   2.885  0.865  0.865
assign (resid 68  and name  hb#  ) (resid 69  and name  hn   )   3.115  0.935  0.935
assign (resid 69  and name  ha   ) (resid 69  and name  hn   )   2.510  0.750  0.750
assign (resid 69  and name  hb#  ) (resid 69  and name  hn   )   2.455  0.735  0.735
assign (resid 70  and name  hn   ) (resid 69  and name  hn   )   2.775  0.835  0.835
assign (resid 68  and name  ha   ) (resid 70  and name  hn   )   2.260  0.680  1.128 ! 30% added
assign (resid 69  and name  ha   ) (resid 70  and name  hn   )   2.710  0.810  0.810
assign (resid 69  and name  hb#  ) (resid 70  and name  hn   )   3.425  1.025  1.025
assign (resid 70  and name  ha2  ) (resid 70  and name  hn   )   2.730  0.820  0.820
assign (resid 70  and name  ha1  ) (resid 71  and name  hn   )   3.355  1.005  1.005
assign (resid 70  and name  ha2  ) (resid 71  and name  hn   )   3.145  0.945  0.945
assign (resid 70  and name  hn   ) (resid 71  and name  hn   )   3.275  0.985  0.985
assign (resid 71  and name  ha1  ) (resid 71  and name  hn   )   2.570  0.770  0.770
assign (resid 71  and name  ha2  ) (resid 71  and name  hn   )   2.755  0.825  0.825
assign (resid 72  and name  hd2# ) (resid 71  and name  hn   )   3.970  1.190  1.190
assign (resid 72  and name  hn   ) (resid 71  and name  hn   )   2.585  0.775  0.775
assign (resid 72  and name  hn   ) (resid 71  and name  hn   )   2.530  0.760  0.760
assign (resid 71  and name  ha1  ) (resid 72  and name  hn   )   3.025  0.905  0.905
assign (resid 71  and name  ha2  ) (resid 72  and name  hn   )   3.230  0.970  0.970
assign (resid 72  and name  ha   ) (resid 72  and name  hn   )   3.000  0.900  0.900
assign (resid 72  and name  hb1  ) (resid 72  and name  hn   )   2.875  0.865  0.865
assign (resid 72  and name  hb2  ) (resid 72  and name  hn   )   2.410  0.720  0.720
assign (resid 72  and name  hd1# ) (resid 72  and name  hn   )   3.210  0.960  0.960
assign (resid 72  and name  hd2# ) (resid 72  and name  hn   )   2.955  0.885  0.885
assign (resid 72  and name  hg   ) (resid 72  and name  hn   )   2.455  0.735  0.735
assign (resid 72  and name  ha   ) (resid 73  and name  hn   )   2.375  0.715  0.715
assign (resid 72  and name  hb1  ) (resid 73  and name  hn   )   2.940  0.880  0.880
assign (resid 72  and name  hb2  ) (resid 73  and name  hn   )   2.985  0.895  0.895
assign (resid 72  and name  hd2# ) (resid 73  and name  hn   )   3.200  0.960  0.960
assign (resid 72  and name  hn   ) (resid 73  and name  hn   )   3.710  1.110  1.110
assign (resid 73  and name  ha   ) (resid 73  and name  hn   )   3.145  0.945  0.945
assign (resid 73  and name  hb1  ) (resid 73  and name  hn   )   2.775  0.835  0.835
assign (resid 73  and name  hb2  ) (resid 73  and name  hn   )   2.775  0.835  0.835
assign (resid 73  and name  hd2  ) (resid 73  and name  hn   )   3.325  0.995  0.995
assign (resid 74  and name  hn   ) (resid 73  and name  hn   )   3.600  1.080  1.080
assign (resid 73  and name  ha   ) (resid 74  and name  hn   )   2.170  0.650  0.867 ! 10 % added
assign (resid 73  and name  hb1  ) (resid 74  and name  hn   )   2.970  0.890  0.890
assign (resid 73  and name  hb2  ) (resid 74  and name  hn   )   2.710  0.810  1.081
assign (resid 74  and name  ha   ) (resid 74  and name  hn   )   2.825  0.845  0.845
assign (resid 74  and name  hb   ) (resid 74  and name  hn   )   2.245  0.675  0.675
assign (resid 74  and name  hg#  ) (resid 74  and name  hn   )   2.400  0.720  0.720
assign (resid 74  and name  ha   ) (resid 75  and name  hn   )   2.215  0.665  0.665
assign (resid 74  and name  hb   ) (resid 75  and name  hn   )   3.365  1.005  1.005
assign (resid 74  and name  hg#  ) (resid 75  and name  hn   )   2.590  0.780  0.780
assign (resid 74  and name  hn   ) (resid 75  and name  hn   )   3.555  1.065  1.065
assign (resid 75  and name  ha2  ) (resid 75  and name  hn   )   2.760  0.830  0.830
assign (resid 76  and name  hn   ) (resid 75  and name  hn   )   2.845  0.855  0.855
assign (resid 73  and name  hd2  ) (resid 76  and name  hn   )   3.300  0.990  0.990
assign (resid 75  and name  ha1  ) (resid 76  and name  hn   )   2.640  0.790  0.790
assign (resid 75  and name  ha2  ) (resid 76  and name  hn   )   2.810  0.840  0.840
assign (resid 76  and name  ha   ) (resid 76  and name  hn   )   2.675  0.805  0.805
assign (resid 76  and name  hb1  ) (resid 76  and name  hn   )   2.410  0.720  0.720
assign (resid 76  and name  hb2  ) (resid 76  and name  hn   )   2.415  0.725  0.725
assign (resid 76  and name  ha   ) (resid 77  and name  hn   )   2.300  0.690  0.690
assign (resid 76  and name  hb1  ) (resid 77  and name  hn   )   3.115  0.935  0.935
assign (resid 76  and name  hb2  ) (resid 77  and name  hn   )   3.240  0.970  0.970
assign (resid 76  and name  hn   ) (resid 77  and name  hn   )   3.485  1.045  1.045
assign (resid 77  and name  ha   ) (resid 77  and name  hn   )   3.115  0.935  0.935
assign (resid 77  and name  hb#  ) (resid 77  and name  hn   )   2.490  0.750  0.750
assign (resid 78  and name  hn   ) (resid 77  and name  hn   )   3.365  1.005  1.005
assign (resid 109  and name  ha   ) (resid 77  and name  hn   )   4.010  1.200  1.200
assign (resid 110  and name  hn   ) (resid 77  and name  hn   )   2.945  0.885  0.885
assign (resid 56  and name  ha   ) (resid 78  and name  hn   )   3.285  0.985  0.985
assign (resid 77  and name  ha   ) (resid 78  and name  hn   )   2.355  0.705  0.705
assign (resid 77  and name  hb#  ) (resid 78  and name  hn   )   2.885  0.865  0.865
assign (resid 78  and name  ha   ) (resid 78  and name  hn   )   3.195  0.955  0.955
assign (resid 78  and name  hb   ) (resid 78  and name  hn   )   2.415  0.725  0.725
assign (resid 78  and name  hg12 ) (resid 78  and name  hn   )   3.840  1.150  1.150
assign (resid 78  and name  hg2# ) (resid 78  and name  hn   )   3.040  0.910  0.910
assign (resid 78  and name  ha   ) (resid 79  and name  hn   )   2.465  0.735  0.735
assign (resid 78  and name  hb   ) (resid 79  and name  hn   )   2.515  0.755  1.755 ! Overl, 1A added
assign (resid 79  and name  hb#  ) (resid 79  and name  hn   )   3.745  1.125  1.125
assign (resid 79  and name  hd#  ) (resid 79  and name  hn   )   2.660  0.800  0.800
assign (resid 80  and name  hn   ) (resid 79  and name  hn   )   2.505  0.755  0.755
assign (resid 109  and name  ha   ) (resid 79  and name  hn   )   2.915  0.875  0.875
assign (resid 79  and name  ha   ) (resid 80  and name  hn   )   2.810  0.840  0.840
assign (resid 79  and name  hb1  ) (resid 80  and name  hn   )   3.075  0.925  0.925
assign (resid 79  and name  hd#  ) (resid 80  and name  hn   )   2.460  0.740  0.740
assign (resid 80  and name  ha   ) (resid 80  and name  hn   )   2.745  0.825  0.825
assign (resid 80  and name  hb#  ) (resid 80  and name  hn   )   2.670  0.800  0.800
assign (resid 109  and name  ha   ) (resid 80  and name  hn   )   3.430  1.030  1.030
assign (resid 80  and name  ha   ) (resid 81  and name  hn   )   2.200  0.660  0.660
assign (resid 80  and name  hb#  ) (resid 81  and name  hn   )   2.415  0.725  0.725
assign (resid 81  and name  ha   ) (resid 81  and name  hn   )   2.975  0.895  0.895
assign (resid 81  and name  hb   ) (resid 81  and name  hn   )   2.920  0.880  0.880
assign (resid 81  and name  hg1# ) (resid 81  and name  hn   )   3.085  0.925  0.925
assign (resid 81  and name  hg2# ) (resid 81  and name  hn   )   2.755  0.825  0.825
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  hb   ) (resid 81  and name  hn   )   2.655  0.795  1.825 ! 40 % added
assign (resid 85  and name  ha   ) (resid 81  and name  hn   )   3.315  0.995  0.995
assign (resid 81  and name  ha   ) (resid 82  and name  hn   )   2.270  0.680  0.680
assign (resid 81  and name  hb   ) (resid 82  and name  hn   )   3.345  1.005  1.005
assign (resid 81  and name  hg1# ) (resid 82  and name  hn   )   2.645  0.795  0.795
assign (resid 81  and name  hg2# ) (resid 82  and name  hn   )   3.500  1.050  1.050
assign (resid 82  and name  ha   ) (resid 82  and name  hn   )   2.330  0.700  0.700
assign (resid 82  and name  hb1  ) (resid 82  and name  hn   )   3.355  1.005  1.005
assign (resid 82  and name  hb2  ) (resid 82  and name  hn   )   3.330  1.000  1.000
assign (resid 83  and name  hn   ) (resid 82  and name  hn   )   3.290  0.990  0.990
assign (resid 106  and name  hb1  ) (resid 82  and name  hn   )   3.170  0.950  0.950
assign (resid 106  and name  hb2  ) (resid 82  and name  hn   )   3.055  0.915  0.915
assign (resid 106  and name  hn   ) (resid 82  and name  hn   )   3.010  0.900  0.900
assign (resid 107  and name  ha   ) (resid 82  and name  hn   )   3.245  0.975  0.975
assign (resid 82  and name  hb1  ) (resid 82  and name  hd21 )   3.100  0.930  0.930
assign (resid 82  and name  hb1  ) (resid 82  and name  hd22 )   2.715  0.815  0.815
assign (resid 82  and name  hb2  ) (resid 82  and name  hd21 )   3.245  0.975  0.975
assign (resid 82  and name  hb2  ) (resid 82  and name  hd22 )   3.305  0.995  0.995
assign (resid 80  and name  hb#  ) (resid 83  and name  hn   )   3.190  0.960  0.960
assign (resid 81  and name  hn   ) (resid 83  and name  hn   )   3.575  1.075  1.075
assign (resid 82  and name  ha   ) (resid 83  and name  hn   )   2.755  0.825  0.825
assign (resid 82  and name  hb1  ) (resid 83  and name  hn   )   3.890  1.170  1.170
assign (resid 82  and name  hb2  ) (resid 83  and name  hn   )   3.430  1.030  1.030
assign (resid 82  and name  hd22 ) (resid 83  and name  hn   )   3.995  1.195  1.195
assign (resid 83  and name  ha1  ) (resid 83  and name  hn   )   2.580  0.770  0.770
assign (resid 83  and name  ha2  ) (resid 83  and name  hn   )   2.705  0.815  0.815
assign (resid 84  and name  hn   ) (resid 83  and name  hn   )   2.855  0.855  0.855
assign (resid 81  and name  hn   ) (resid 84  and name  hn   )   3.560  1.070  1.070
assign (resid 83  and name  ha1  ) (resid 84  and name  hn   )   3.510  1.050  1.050
assign (resid 83  and name  ha2  ) (resid 84  and name  hn   )   2.900  0.870  0.870
assign (resid 84  and name  hb   ) (resid 84  and name  hn   )   2.175  0.655  0.655
assign (resid 84  and name  hg#  ) (resid 84  and name  hn   )   2.145  0.645  0.645
assign (resid 84  and name  ha   ) (resid 85  and name  hn   )   2.625  0.785  0.785
assign (resid 84  and name  hg#  ) (resid 85  and name  hn   )   2.575  0.775  0.775
assign (resid 85  and name  ha   ) (resid 85  and name  hn   )   2.800  0.840  0.840
assign (resid 85  and name  hb#  ) (resid 85  and name  hn   )   2.340  0.700  0.700
assign (resid 79  and name  ha   ) (resid 86  and name  hn   )   3.240  0.970  1.470 !0.4 added
assign (resid 80  and name  ha   ) (resid 86  and name  hn   )   2.760  0.830  0.830
assign (resid 85  and name  ha   ) (resid 86  and name  hn   )   2.475  0.745  0.745
assign (resid 85  and name  hb#  ) (resid 86  and name  hn   )   3.575  1.075  1.075
assign (resid 86  and name  ha   ) (resid 86  and name  hn   )   2.945  0.885  0.885
assign (resid 86  and name  hb1  ) (resid 86  and name  hn   )   2.800  0.840  0.840
assign (resid 86  and name  hb2  ) (resid 86  and name  hn   )   2.700  0.810  0.810
assign (resid 86  and name  hd1# ) (resid 86  and name  hn   )   3.215  0.965  0.965
assign (resid 86  and name  hd2# ) (resid 86  and name  hn   )   3.245  0.975  0.975
assign (resid 87  and name  hn   ) (resid 86  and name  hn   )   2.845  1.355  0.855
assign (resid 85  and name  ha   ) (resid 87  and name  hn   )   3.470  1.040  1.040
assign (resid 86  and name  hb1  ) (resid 87  and name  hn   )   3.325  0.995  0.995
assign (resid 86  and name  hb2  ) (resid 87  and name  hn   )   2.585  0.775  1.291 ! 20 % added
assign (resid 86  and name  hd1# ) (resid 87  and name  hn   )   3.540  1.060  1.414 ! 10  % added
assign (resid 86  and name  hd2# ) (resid 87  and name  hn   )   3.320  1.000  1.664 ! 20  % added
assign (resid 87  and name  ha   ) (resid 87  and name  hn   )   2.945  0.885  0.885
assign (resid 87  and name  hb1  ) (resid 87  and name  hn   )   2.970  0.890  0.890
assign (resid 87  and name  hb2  ) (resid 87  and name  hn   )   2.740  0.820  0.820
assign (resid 87  and name  hg#  ) (resid 87  and name  hn   )   2.490  0.750  0.750
assign (resid 88  and name  hn   ) (resid 87  and name  hn   )   4.060  1.220  1.220
assign (resid 87  and name  ha   ) (resid 89  and name  hn   )   2.890  0.870  1.870  ! 1 Added
assign (resid 88  and name  ha   ) (resid 89  and name  hn   )   1.770  0.530  0.530
assign (resid 88  and name  hb1  ) (resid 89  and name  hn   )   3.510  1.050  1.050
assign (resid 88  and name  hb2  ) (resid 89  and name  hn   )   3.980  1.190  1.190
assign (resid 89  and name  ha   ) (resid 89  and name  hn   )   2.615  0.785  0.785
assign (resid 89  and name  hb   ) (resid 89  and name  hn   )   2.645  0.795  0.795
assign (resid 89  and name  hg2# ) (resid 89  and name  hn   )   2.760  0.830  0.830
assign (resid 89  and name  ha   ) (resid 90  and name  hn   )   2.495  0.745  0.745
assign (resid 89  and name  hb   ) (resid 90  and name  hn   )   3.160  0.950  0.950
assign (resid 89  and name  hg2# ) (resid 90  and name  hn   )   2.845  0.855  0.855
assign (resid 89  and name  hn   ) (resid 90  and name  hn   )   4.000  1.200  1.200
assign (resid 90  and name  hb1  ) (resid 90  and name  hn   )   2.845  0.855  0.855
assign (resid 90  and name  hb2  ) (resid 90  and name  hn   )   2.860  0.860  0.860
assign (resid 91  and name  ha   ) (resid 92  and name  hn   )   2.790  0.840  0.840
assign (resid 91  and name  hb1  ) (resid 92  and name  hn   )   2.940  0.880  0.880
assign (resid 91  and name  hb2  ) (resid 92  and name  hn   )   3.045  0.915  0.915
assign (resid 92  and name  ha   ) (resid 92  and name  hn   )   2.790  0.840  0.840
assign (resid 92  and name  hb1  ) (resid 92  and name  hn   )   2.755  0.825  0.825
assign (resid 92  and name  hb2  ) (resid 92  and name  hn   )   2.670  0.800  0.800
assign (resid 92  and name  hg#  ) (resid 92  and name  hn   )   3.515  1.055  1.055
assign (resid 93  and name  hn   ) (resid 92  and name  hn   )   3.025  0.905  0.905
assign (resid 92  and name  ha   ) (resid 93  and name  hn   )   3.060  0.920  0.920
assign (resid 93  and name  ha   ) (resid 93  and name  hn   )   2.930  0.880  0.880
assign (resid 93  and name  hb1  ) (resid 93  and name  hn   )   2.730  0.820  0.820
assign (resid 93  and name  hb2  ) (resid 93  and name  hn   )   2.300  0.690  0.690
assign (resid 93  and name  ha   ) (resid 94  and name  hn   )   3.370  1.010  1.010
assign (resid 93  and name  hb1  ) (resid 94  and name  hn   )   2.900  0.870  0.870
assign (resid 93  and name  hb2  ) (resid 94  and name  hn   )   2.615  0.785  0.785
assign (resid 93  and name  hn   ) (resid 94  and name  hn   )   2.415  0.725  0.725
assign (resid 94  and name  ha   ) (resid 94  and name  hn   )   2.710  0.810  0.810
assign (resid 94  and name  hb#  ) (resid 94  and name  hn   )   2.200  0.660  0.660
assign (resid 93  and name  hn   ) (resid 95  and name  hn   )   3.840  1.150  1.150
assign (resid 94  and name  ha   ) (resid 95  and name  hn   )   2.640  0.790  0.790
assign (resid 94  and name  hb#  ) (resid 95  and name  hn   )   2.595  0.775  0.775
assign (resid 95  and name  ha   ) (resid 95  and name  hn   )   2.755  0.825  0.825
assign (resid 95  and name  hb   ) (resid 95  and name  hn   )   2.430  0.730  0.730
assign (resid 95  and name  hb   ) (resid 95  and name  hn   )   2.360  0.710  0.710
assign (resid 95  and name  hg1# ) (resid 95  and name  hn   )   2.455  0.735  0.735
assign (resid 95  and name  hg2# ) (resid 95  and name  hn   )   3.020  0.910  0.910
assign (resid 96  and name  hn   ) (resid 95  and name  hn   )   2.830  0.850  0.850
assign (resid 93  and name  ha   ) (resid 96  and name  hn   )   2.870  0.860  0.860
assign (resid 95  and name  ha   ) (resid 96  and name  hn   )   3.190  0.960  0.960
assign (resid 95  and name  hb   ) (resid 96  and name  hn   )   2.480  0.740  0.740
assign (resid 95  and name  hg1# ) (resid 96  and name  hn   )   2.900  0.870  0.870
assign (resid 95  and name  hg2# ) (resid 96  and name  hn   )   2.960  0.890  0.890
assign (resid 96  and name  ha   ) (resid 96  and name  hn   )   2.840  0.850  0.850
assign (resid 96  and name  hb   ) (resid 96  and name  hn   )   2.455  0.735  0.735
assign (resid 96  and name  hg2# ) (resid 96  and name  hn   )   2.915  0.875  0.875
assign (resid 93  and name  ha   ) (resid 97  and name  hn   )   3.555  1.065  1.065
assign (resid 94  and name  ha   ) (resid 97  and name  hn   )   3.140  0.940  0.940
assign (resid 96  and name  hb   ) (resid 97  and name  hn   )   2.970  0.890  0.890
assign (resid 96  and name  hg2# ) (resid 97  and name  hn   )   3.125  0.935  0.935
assign (resid 96  and name  hn   ) (resid 97  and name  hn   )   3.105  0.935  0.935
assign (resid 97  and name  ha   ) (resid 97  and name  hn   )   3.015  0.905  0.905
assign (resid 97  and name  hb   ) (resid 97  and name  hn   )   2.270  0.680  0.680
assign (resid 97  and name  hg11 ) (resid 97  and name  hn   )   3.330  1.000  1.000
assign (resid 97  and name  hg2# ) (resid 97  and name  hn   )   2.740  0.820  0.820
assign (resid 95  and name  ha   ) (resid 98  and name  hn   )   3.230  0.970  0.970
assign (resid 96  and name  hn   ) (resid 98  and name  hn   )   3.540  1.060  1.060
assign (resid 97  and name  ha   ) (resid 98  and name  hn   )   3.270  0.980  0.980
assign (resid 97  and name  hn   ) (resid 98  and name  hn   )   2.895  0.865  0.865
assign (resid 98  and name  hb1  ) (resid 98  and name  hn   )   2.755  0.825  0.825
assign (resid 98  and name  hb2  ) (resid 98  and name  hn   )   2.470  0.740  0.740
assign (resid 98  and name  hd#  ) (resid 98  and name  hn   )   2.345  0.705  0.705
assign (resid 98  and name  hg   ) (resid 98  and name  hn   )   2.360  0.710  0.710
assign (resid 99  and name  hn   ) (resid 98  and name  hn   )   2.775  0.835  0.835
assign (resid 100  and name  hn   ) (resid 98  and name  hn   )   3.785  1.135  1.135
assign (resid 95  and name  ha   ) (resid 99  and name  hn   )   3.745  1.125  1.125
assign (resid 97  and name  ha   ) (resid 99  and name  hn   )   3.605  1.085  1.085
assign (resid 98  and name  ha   ) (resid 99  and name  hn   )   2.915  0.875  0.875
assign (resid 98  and name  hb2  ) (resid 99  and name  hn   )   2.765  0.825  0.825
assign (resid 98  and name  hd#  ) (resid 99  and name  hn   )   3.240  0.970  0.970
assign (resid 98  and name  hg   ) (resid 99  and name  hn   )   3.900  1.170  1.170
assign (resid 99  and name  hb1  ) (resid 99  and name  hn   )   3.160  0.950  0.950
assign (resid 99  and name  ha   ) (resid 99  and name  hn   )   2.545  0.765  0.765
assign (resid 99  and name  hb#  ) (resid 99  and name  hn   )   2.505  0.755  0.755
assign (resid 100  and name  hn   ) (resid 99  and name  hn   )   2.805  0.845  0.845
assign (resid 101  and name  hn   ) (resid 99  and name  hn   )   3.740  1.120  1.120
assign (resid 96  and name  ha   ) (resid 100  and name  hn   )   3.745  1.125  0.625 ! modified
assign (resid 97  and name  ha   ) (resid 100  and name  hn   )   3.660  1.100  0.600 ! modified
assign (resid 99  and name  hb#  ) (resid 100  and name  hn   )   3.260  0.980  0.980
assign (resid 100  and name  hb#  ) (resid 100  and name  hn   )   2.575  0.775  0.775
assign (resid 100  and name  hg#  ) (resid 100  and name  hn   )   3.085  0.925  0.925
assign (resid 101  and name  hn   ) (resid 100  and name  hn   )   2.755  0.825  0.825
assign (resid 98  and name  ha   ) (resid 101  and name  hn   )   3.555  1.065  0.665 ! modified
assign (resid 98  and name  ha   ) (resid 101  and name  hn   )   3.555  1.065  0.665 ! modified
assign (resid 98  and name  ha   ) (resid 101  and name  hn   )   3.555  1.065  0.665 ! modified
assign (resid 98  and name  ha   ) (resid 101  and name  hn   )   3.555  1.065  0.665 ! modified
assign (resid 100  and name  ha   ) (resid 101  and name  hn   )   2.900  0.870  0.870
assign (resid 100  and name  hb#  ) (resid 101  and name  hn   )   3.255  0.975  0.975
assign (resid 101  and name  ha   ) (resid 101  and name  hn   )   3.270  0.980  0.980
assign (resid 101  and name  hb1  ) (resid 101  and name  hn   )   2.910  0.870  0.870
assign (resid 101  and name  hb2  ) (resid 101  and name  hn   )   2.870  0.860  0.860
assign (resid 101  and name  hg#  ) (resid 101  and name  hn   )   2.825  0.845  0.845
assign (resid 101  and name  ha   ) (resid 102  and name  hn   )   3.340  1.000  1.000
assign (resid 101  and name  hb2  ) (resid 102  and name  hn   )   4.175  1.255  1.255
assign (resid 102  and name  ha   ) (resid 102  and name  hn   )   3.870  1.160  1.160
assign (resid 102  and name  hb#  ) (resid 102  and name  hn   )   3.740  1.120  1.120
assign (resid 102  and name  ha   ) (resid 103  and name  hn   )   3.660  1.100  1.100
assign (resid 102  and name  hb1  ) (resid 103  and name  hn   )   3.885  1.165  1.165
assign (resid 102  and name  hb2  ) (resid 103  and name  hn   )   3.630  1.090  1.090
assign (resid 103  and name  ha1  ) (resid 103  and name  hn   )   3.400  1.020  1.020
assign (resid 103  and name  ha2  ) (resid 103  and name  hn   )   3.300  0.990  0.990
assign (resid 103  and name  ha1  ) (resid 104  and name  hn   )   2.555  0.765  0.765
assign (resid 103  and name  ha2  ) (resid 104  and name  hn   )   2.270  0.680  0.680
assign (resid 104  and name  ha   ) (resid 104  and name  hn   )   2.345  0.705  0.705
assign (resid 104  and name  hb#  ) (resid 104  and name  hn   )   2.465  0.735  0.735
assign (resid 104  and name  hg#  ) (resid 104  and name  hn   )   3.085  0.925  0.925
assign (resid 34  and name  ha   ) (resid 105  and name  hn   )   3.085  0.925  0.925
assign (resid 104  and name  ha   ) (resid 105  and name  hn   )   2.175  0.655  0.655
assign (resid 104  and name  hb#  ) (resid 105  and name  hn   )   3.045  0.915  0.915
assign (resid 104  and name  hn   ) (resid 105  and name  hn   )   3.730  1.920  1.120
assign (resid 105  and name  ha   ) (resid 105  and name  hn   )   3.085  0.925  0.925
assign (resid 105  and name  hb   ) (resid 105  and name  hn   )   2.705  0.815  0.815
assign (resid 105  and name  hd#  ) (resid 105  and name  hn   )   2.970  0.890  0.890
assign (resid 105  and name  hg12 ) (resid 105  and name  hn   )   2.920  0.880  0.880
assign (resid 105  and name  hg2# ) (resid 105  and name  hn   )   3.130  0.940  0.940
assign (resid 106  and name  hn   ) (resid 105  and name  hn   )   3.540  1.060  1.060
assign (resid 107  and name  hd#  ) (resid 105  and name  hn   )   3.630  1.090  1.090
assign (resid 82  and name  ha   ) (resid 106  and name  hn   )   3.155  0.945  0.945
assign (resid 82  and name  hb1  ) (resid 106  and name  hn   )   4.400  1.320  1.320
assign (resid 82  and name  hd21 ) (resid 106  and name  hn   )   2.855  0.855  0.855
assign (resid 105  and name  ha   ) (resid 106  and name  hn   )   2.115  0.635  0.635
assign (resid 105  and name  hb   ) (resid 106  and name  hn   )   3.055  0.915  0.915
assign (resid 105  and name  hg2# ) (resid 106  and name  hn?   )   2.560  0.770  0.770
assign (resid 106  and name  ha   ) (resid 106  and name  hn   )   2.990  0.900  0.900
assign (resid 106  and name  hb1  ) (resid 106  and name  hn   )   2.540  0.760  0.760
assign (resid 106  and name  hb2  ) (resid 106  and name  hn   )   2.555  0.765  0.765
assign (resid 30  and name  ha   ) (resid 107  and name  hn   )   3.600  1.080  1.080
assign (resid 31  and name  hn   ) (resid 107  and name  hn   )   3.015  0.905  0.905
assign (resid 106  and name  ha   ) (resid 107  and name  hn   )   2.185  0.655  0.655
assign (resid 106  and name  hb1  ) (resid 107  and name  hn   )   2.955  0.885  0.885
assign (resid 106  and name  hb2  ) (resid 107  and name  hn   )   3.170  0.950  0.950
assign (resid 107  and name  hb1  ) (resid 107  and name  hn   )   2.800  0.840  0.840
assign (resid 107  and name  hb2  ) (resid 107  and name  hn   )   2.700  0.810  0.810
assign (resid 107  and name  hd#  ) (resid 107  and name  hn   )   3.235  0.975  0.975
assign (resid 108  and name  hn   ) (resid 107  and name  hn   )   3.385  1.015  1.015
assign (resid 80  and name  hn   ) (resid 108  and name  hn   )   2.885  1.160  0.865
assign (resid 107  and name  ha   ) (resid 108  and name  hn   )   2.210  0.660  0.660
assign (resid 107  and name  hb1  ) (resid 108  and name  hn   )   3.010  0.900  0.900
assign (resid 107  and name  hb2  ) (resid 108  and name  hn   )   3.260  0.980  0.980
assign (resid 108  and name  ha   ) (resid 108  and name  hn   )   2.910  0.870  0.870
assign (resid 28  and name  ha   ) (resid 109  and name  hn   )   3.490  1.050  1.050
assign (resid 30  and name  ha   ) (resid 109  and name  hn   )   2.980  0.890  0.890
assign (resid 108  and name  ha   ) (resid 109  and name  hn   )   2.145  0.645  0.645
assign (resid 108  and name  hb1  ) (resid 109  and name  hn   )   3.125  0.935  0.935
assign (resid 108  and name  hb2  ) (resid 109  and name  hn   )   3.275  0.985  0.985
assign (resid 109  and name  ha   ) (resid 109  and name  hn   )   3.035  0.915  0.915
assign (resid 109  and name  hb   ) (resid 109  and name  hn   )   3.345  1.005  1.005
assign (resid 109  and name  hg1# ) (resid 109  and name  hn   )   2.370  0.710  0.710
assign (resid 109  and name  hg2# ) (resid 109  and name  hn   )   2.970  0.890  0.890
assign (resid 76  and name  ha   ) (resid 110  and name  hn   )   3.830  1.150  1.150
assign (resid 78  and name  ha   ) (resid 110  and name  hn   )   3.105  0.935  0.935
assign (resid 109  and name  ha   ) (resid 110  and name  hn   )   2.270  0.680  0.680
assign (resid 109  and name  hb   ) (resid 110  and name  hn   )   2.415  0.725  0.725
assign (resid 109  and name  hg1# ) (resid 110  and name  hn?   )   2.785  0.835  0.835
assign (resid 110  and name  ha   ) (resid 110  and name  hn   )   2.885  0.865  0.865
assign (resid 110  and name  hb   ) (resid 110  and name  hn   )   3.115  0.935  0.935
assign (resid 110  and name  hg2# ) (resid 110  and name  hn   )   2.370  0.710  0.710
assign (resid 110  and name  hg2# ) (resid 110  and name  hn   )   2.525  0.755  0.755
assign (resid 110  and name  ha   ) (resid 111  and name  hn   )   2.555  0.765  0.765
assign (resid 110  and name  hb   ) (resid 111  and name  hn   )   3.475  1.045  1.045
assign (resid 110  and name  hg#  ) (resid 111  and name  hn   )   2.490  0.750  0.750
assign (resid 111  and name  ha   ) (resid 111  and name  hn   )   2.370  0.710  0.710
assign (resid 111  and name  hb1  ) (resid 111  and name  hn   )   2.930  0.880  0.880
assign (resid 111  and name  hb2  ) (resid 111  and name  hn   )   2.740  0.820  0.820
assign (resid 111  and name  hd#  ) (resid 111  and name  hn   )   3.315  0.995  0.995
assign (resid 111  and name  ha   ) (resid 112  and name  hn   )   2.340  0.700  0.700
assign (resid 111  and name  hb1  ) (resid 112  and name  hn   )   3.570  1.070  1.070
assign (resid 111  and name  hb2  ) (resid 112  and name  hn   )   3.475  1.045  1.045
assign (resid 112  and name  ha   ) (resid 112  and name  hn   )   2.930  0.880  0.880
assign (resid 112  and name  hb   ) (resid 112  and name  hn   )   2.840  0.850  0.850
assign (resid 112  and name  hg2# ) (resid 112  and name  hn   )   2.610  0.780  0.780
assign (resid 29  and name  hn   ) (resid 30  and name  hn   )   3.225  0.965  0.965
assign (resid 31  and name  hn   ) (resid 30  and name  hn   )   3.380  1.010  1.010
assign (resid 31  and name  hn   ) (resid 30  and name  hn   )   3.020  0.910  0.910
assign (resid 107  and name  hn   ) (resid 31  and name  hn   )   2.615  0.785  0.785
assign (resid 107  and name  hn   ) (resid 33  and name  hn   )   3.110  0.930  0.930
assign (resid 33  and name  hn   ) (resid 34  and name  hn   )   3.130  0.940  0.940
assign (resid 35  and name  hn   ) (resid 34  and name  hn   )   2.925  0.875  0.875
assign (resid 36  and name  hn   ) (resid 35  and name  hn   )   3.440  1.030  1.030
assign (resid 58  and name  hn   ) (resid 44  and name  hn   )   3.415  1.025  1.425 !0.4 added
assign (resid 47  and name  hn   ) (resid 48  and name  hn   )   3.125  0.935  0.935
assign (resid 51  and name  hn   ) (resid 53  and name  hn   )   2.360  0.710  0.710
assign (resid 52  and name  hn   ) (resid 53  and name  hn   )   2.570  0.770  0.770
assign (resid 46  and name  hn   ) (resid 56  and name  hn   )   3.155  0.945  0.945
assign (resid 46  and name  hn   ) (resid 56  and name  hn   )   2.730  0.820  0.820
assign (resid 44  and name  hn   ) (resid 59  and name  hn   )   2.455  0.735  0.735
assign (resid 58  and name  hn   ) (resid 59  and name  hn   )   2.075  0.625  0.625
assign (resid 60  and name  hn   ) (resid 59  and name  hn   )   3.030  0.910  0.910
assign (resid 60  and name  hn   ) (resid 61  and name  hn   )   3.115  0.935  0.935
assign (resid 63  and name  hn   ) (resid 64  and name  hn   )   2.540  0.760  0.760
assign (resid 67  and name  hn   ) (resid 64  and name  hn   )   3.065  0.915  0.915
assign (resid 67  and name  hn   ) (resid 66  and name  hn   )   3.040  0.910  0.910
assign (resid 67  and name  hn   ) (resid 68  and name  hn   )   2.500  0.750  0.750
assign (resid 68  and name  hn   ) (resid 69  and name  hn   )   2.455  0.735  0.735
assign (resid 69  and name  hn   ) (resid 70  and name  hn   )   2.390  0.720  0.720
assign (resid 71  and name  hn   ) (resid 72  and name  hn   )   2.510  0.750  0.750
assign (resid 73  and name  hn   ) (resid 72  and name  hn   )   3.245  0.975  0.975
assign (resid 73  and name  hn   ) (resid 74  and name  hn   )   3.330  1.000  1.000
assign (resid 75  and name  hn   ) (resid 74  and name  hn   )   2.935  0.885  1.385 ! 0.5 added, close to diagonal
assign (resid 75  and name  hn   ) (resid 76  and name  hn   )   2.225  0.665  0.665
assign (resid 77  and name  hn   ) (resid 76  and name  hn   )   3.215  0.965  0.965
assign (resid 57  and name  hn   ) (resid 78  and name  hn   )   2.800  0.840  0.840
assign (resid 79  and name  hn   ) (resid 80  and name  hn   )   2.040  0.610  0.610
assign (resid 81  and name  hn   ) (resid 80  and name  hn   )   3.460  1.040  1.040
assign (resid 82  and name  hn   ) (resid 81  and name  hn   )   3.300  0.990  0.990
assign (resid 83  and name  hn   ) (resid 81  and name  hn   )   2.925  0.875  0.875
assign (resid 84  and name  hn   ) (resid 81  and name  hn   )   2.615  0.785  0.785
assign (resid 86  and name  hn   ) (resid 81  and name  hn   )   3.130  0.940  1.253  ! 10%c added, distorted
assign (resid 106  and name  hn   ) (resid 82  and name  hd21 )   3.230  0.970  0.970
assign (resid 82  and name  hn   ) (resid 83  and name  hn   )   2.580  0.770  0.770
assign (resid 90  and name  hn   ) (resid 89  and name  hn   )   3.375  1.015  1.015
assign (resid 91  and name  hn   ) (resid 92  and name  hn   )   3.285  0.985  0.985
assign (resid 90  and name  hn   ) (resid 93  and name  hn   )   3.330  1.000  1.000
assign (resid 92  and name  hn   ) (resid 93  and name  hn   )   2.585  0.775  0.775
assign (resid 94  and name  hn   ) (resid 93  and name  hn   )   2.200  0.660  0.660
assign (resid 92  and name  hn   ) (resid 94  and name  hn   )   3.470  1.040  1.040
assign (resid 95  and name  hn   ) (resid 96  and name  hn   )   2.500  0.750  0.750
assign (resid 97  and name  hn   ) (resid 96  and name  hn   )   2.160  0.650  0.650
assign (resid 98  and name  hn   ) (resid 96  and name  hn   )   3.585  1.075  1.075
assign (resid 98  and name  hn   ) (resid 97  and name  hn   )   2.675  0.805  0.805
assign (resid 98  and name  hn   ) (resid 99  and name  hn   )   2.490  0.750  0.750
assign (resid 98  and name  hn   ) (resid 100  and name  hn   )   3.585  1.075  1.075
assign (resid 99  and name  hn   ) (resid 100  and name  hn   )   2.345  0.705  0.705
assign (resid 100  and name  hn   ) (resid 101  and name  hn   )   2.530  0.760  0.760
assign (resid 82  and name  hn   ) (resid 106  and name  hn   )   2.685  0.805  0.805
assign (resid 105  and name  hn   ) (resid 106  and name  hn   )   3.030  0.910  0.910
assign (resid 107  and name  hn   ) (resid 108  and name  hn   )   3.330  1.000  1.000
assign (resid 29  and name  hn   ) (resid 109  and name  hn   )   2.560  0.770  1.650
assign (resid 77  and name  hn   ) (resid 110  and name  hn   )   2.490  0.750  1.750 ! 1 A added check
assign (resid 109  and name  hn   ) (resid 110  and name  hn   )   2.875  0.865  1.865 ! 1 A add ed upper
assign (resid 111  and name  hn   ) (resid 112  and name  hn   )   3.545  1.065  1.065
assign (resid 32  and name  ha   ) (resid 33  and name  hn   )   1.985  0.195  0.195
assign (resid 32  and name  ha   ) (resid  107  and name  hn   )   3.075  0.305  0.305
assign (resid 35  and name  ha   ) (resid 36  and name  hn   )   2.245  0.225  0.225
assign (resid 36  and name  ha   ) (resid 36  and name  hn   )   2.665  0.265  0.265
assign (resid 44  and name  ha   ) (resid 61  and name  hd2  )   3.000  0.300  3.600 ! 3 A added as uppea check
assign (resid 45  and name  hb   ) (resid 45  and name  ha   )   2.740  0.270  0.270
assign (resid 45  and name  hg11 ) (resid 45  and name  ha   )   3.180  0.320  0.320
assign (resid 45  and name  hg2# ) (resid 45  and name  ha   )   2.690  0.270  0.270
assign (resid 45  and name  hd#  ) (resid 45  and name  ha   )   3.425  0.795  0.795
assign (resid 45  and name  hn   ) (resid 91  and name  he1  )   3.435  2.000  1.400  ! not integrated 1 Added
assign (resid 51  and name  hd2  ) (resid 51  and name  hn   )   2.065  0.205  0.205
assign (resid 56  and name  ha   ) (resid 77  and name  ha   )   3.145  0.315  0.315
assign (resid 56  and name  ha   ) (resid 78  and name  hn   )   2.545  0.255  0.255
assign (resid 57  and name  ha   ) (resid 45  and name  ha   )   2.865  0.285  0.285
assign (resid 61  and name  hb1  ) (resid 61  and name  hd2  )   3.125  0.315  0.315
assign (resid 61  and name  hb2  ) (resid 61  and name  hd2  )   3.435  0.345  0.345
assign (resid 61  and name  hd2  ) (resid 61  and name  hn   )   2.880  0.290  0.290
assign (resid 62  and name  ha   ) (resid 63  and name  hn   )   2.200  0.220  0.220
assign (resid 62  and name  ha   ) (resid 64  and name  hn   )   2.390  0.709  0.909 ! 30% added upper and lower
assign (resid 63  and name  ha1  ) (resid 63  and name  hn   )   2.265  0.225  0.225
assign (resid 63  and name  ha2  ) (resid 63  and name  hn   )   2.170  0.220  0.220
assign (resid 63  and name  ha2  ) (resid 64  and name  hn   )   3.235  0.325  0.325
assign (resid 77  and name  ha   ) (resid 57  and name  hn   )   2.675  0.265  0.932 ! 10 added 0.4 added
assign (resid 77  and name  ha   ) (resid 78  and name  hn   )   2.090  0.210  0.210
assign (resid 78  and name  ha   ) (resid 109  and name  ha   )   2.800  0.280  0.280
assign (resid 81  and name  ha   ) (resid 83  and name  hn   )   3.380  0.340  0.340
assign (resid 90  and name  ha   ) (resid 90  and name  hn   )   3.600  0.360  0.360
assign (resid 90  and name  ha   ) (resid 91  and name  hn   )   1.690  0.170  0.170
assign (resid 90  and name  hb1  ) (resid 91  and name  hn   )   2.930  0.290  0.290
assign (resid 90  and name  hb2  ) (resid 91  and name  hn   )   2.990  0.300  0.300
assign (resid 91  and name  ha   ) (resid 91  and name  hd2  )   2.700  0.270  1.270 ! 1 added
assign (resid 91  and name  ha   ) (resid 91  and name  hn   )   2.780  0.280  0.280
assign (resid 91  and name  hb1  ) (resid 91  and name  hd2  )   2.655  0.795  0.795 ! 20% added upper and lowe
assign (resid 91  and name  hb1  ) (resid 91  and name  hn   )   2.645  0.265  0.265
assign (resid 91  and name  hb2  ) (resid 91  and name  hd2  )   2.665  0.530  0.830 ! 0.5 added 10% added upper and lower
assign (resid 91  and name  hb2  ) (resid 91  and name  hn   )   2.735  0.275  0.275
assign (resid 92  and name  ha   ) (resid 96  and name  hn   )   3.625  0.265  0.265
assign (resid 94  and name  ha   ) (resid 98  and name  hn   )   2.900  0.290  0.890 !0.5 added
assign (resid 98  and name  ha   ) (resid 98  and name  hn   )   2.560  0.260  0.260
assign (resid 106 and name  ha   ) (resid 33  and name  hn   )   2.685  0.265  0.265
assign (resid 106 and name  ha   ) (resid  107  and name  hn   )   1.955  0.195  0.195
assign (resid  107  and name  ha   ) (resid  107  and name  hd#  )   2.920  0.290  0.290
assign (resid  107  and name  hd#  ) (resid  108  and name  hn   )   3.99  1.200  1.200
assign (resid  108  and name  ha   ) (resid 30  and name  ha   )   3.415  0.345  0.345
assign (resid 111  and name  hb1  ) (resid 111  and name  hn   )   2.425  0.245  0.245
assign (resid 111  and name  hb2  ) (resid 111  and name  hn   )   2.540  0.250  0.250
assign (resid 108  and name  hn   ) (resid 109  and name  hn   )   3.240  0.970  0.970
assign (resid 31  and name  hg#  ) (resid 30  and name  hn   )   3.165  0.945  0.945
assign (resid 30  and name  hb1  ) (resid 31  and name  hn   )   2.900  0.870  0.870
assign (resid 106  and name  ha   ) (resid 31  and name  hn   )   3.455  1.035  1.035
assign (resid 34  and name  hd#  ) (resid 33  and name  hn   )   2.615  0.785  0.785
assign (resid 107  and name  hd#  ) (resid 33  and name  hn   )   3.945  1.185  1.185
assign (resid 107  and name  he#  ) (resid 33  and name  hn   )   3.945  1.185  1.185
assign (resid 33  and name  hd1# ) (resid 34  and name  hn   )   2.935  0.885  0.885
assign (resid 34  and name  hd#  ) (resid 34  and name  hn   )   3.185  0.955  0.955
assign (resid 69  and name  hb#  ) (resid 34  and name  hn   )   3.380  1.010  1.010
assign (resid 33  and name  hd1# ) (resid 35  and name  hn   )   3.340  1.000  1.000
assign (resid 35  and name  hd#  ) (resid 36  and name  hn   )   2.715  0.815  0.815
assign (resid 35  and name  hb#  ) (resid 39  and name  hn   )   2.790  0.840  0.840
assign (resid 35  and name  hd#  ) (resid 39  and name  hn   )   3.215  0.965  0.965
assign (resid 53  and name  hg1# ) (resid 47  and name  hn   )   3.855  1.155  1.155
assign (resid 91  and name  hd2  ) (resid 47  and name  hn   )   3.305  0.995  1.995 ! 1 added
assign (resid 53  and name  hb   ) (resid 48  and name  hn   )   3.690  1.110  1.110
assign (resid 53  and name  hg1# ) (resid 48  and name  hn   )   2.645  0.795  0.795
assign (resid 55  and name  hd#  ) (resid 48  and name  hn   )   3.145  0.945  0.945
assign (resid 90  and name  ha   ) (resid 49  and name  hn   )   3.185  0.955  0.955
assign (resid 53  and name  hg1# ) (resid 51  and name  hn   )   3.585  1.075  1.075
assign (resid 53  and name  hg1# ) (resid 52  and name  hn   )   3.600  1.080  1.080
assign (resid 51  and name  hb1  ) (resid 53  and name  hn   )   3.670  1.100  1.100
assign (resid 51  and name  hb2  ) (resid 53  and name  hn   )   3.570  1.070  1.070
assign (resid 54  and name  hd1  ) (resid 53  and name  hn   )   3.510  1.050  2.050 ! 1 added
assign (resid 54  and name  hg1  ) (resid 53  and name  hn   )   3.740  1.120  2.120 ! 1added
assign (resid 47  and name  ha2  ) (resid 56  and name  hn   )   3.430  1.030  1.030
assign (resid 55  and name  hb   ) (resid 56  and name  hn   )   3.660  1.100  1.100
assign (resid 78  and name  hg2# ) (resid 56  and name  hn   )   3.295  0.985  0.985
assign (resid 56  and name  hb1  ) (resid 57  and name  hn   )   2.865  0.855  1.147 ! 10 % added
assign (resid 56  and name  hb2  ) (resid 57  and name  hn   )   5.295  1.585  1.585
assign (resid 56  and name  hd1# ) (resid 57  and name  hn   )   3.200  0.960  0.960
assign (resid 56  and name  hd2# ) (resid 57  and name  hn   )   2.770  0.830  1.830 ! 1 added
assign (resid 57  and name  hg2# ) (resid 57  and name  hn   )   2.730  0.820  0.820
assign (resid 74  and name  ha   ) (resid 57  and name  hn   )   3.685  1.105  1.505 !0.5 added
assign (resid 76  and name  hb#  ) (resid 57  and name  hn   )   4.000  1.200  1.200
assign (resid 76  and name  hn   ) (resid 57  and name  hn   )   3.990  1.200  1.200
assign (resid 77  and name  ha   ) (resid 57  and name  hn   )   3.315  0.995  0.995
assign (resid 78  and name  hb   ) (resid 57  and name  hn   )   3.230  0.970  0.970
assign (resid 78  and name  hg12 ) (resid 57  and name  hn   )   3.300  0.990  0.990
assign (resid 45  and name  hg2# ) (resid 58  and name  hn   )   3.120  0.940  0.940
assign (resid 57  and name  hg2# ) (resid 58  and name  hn   )   2.715  0.815  0.815
assign (resid 59  and name  ha   ) (resid 58  and name  hn   )   3.575  1.075  1.075
assign (resid 74  and name  hb   ) (resid 58  and name  hn   )   3.410  1.020  1.020
assign (resid 57  and name  ha   ) (resid 59  and name  hn   )   3.020  0.910  0.910
assign (resid 57  and name  hg2# ) (resid 59  and name  hn   )   2.555  0.765  0.765
assign (resid 74  and name  hg#  ) (resid 59  and name  hn   )   3.005  0.905  0.905
assign (resid 60  and name  hd#  ) (resid 61  and name  hn   )   3.410  1.020  1.020
assign (resid 60  and name  hg11 ) (resid 61  and name  hn   )   3.495  1.045  1.045
assign (resid 64  and name  hb1  ) (resid 61  and name  hn   )   3.565  1.065  1.065
assign (resid 33  and name  hd2# ) (resid 66  and name  hn   )   3.355  1.005  1.005
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140 !1.0 A added check 
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140 !1.0 A added check
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140
assign (resid 63  and name  ha2  ) (resid 66  and name  hn   )   3.790  1.140  2.140
assign (resid 72  and name  hb1  ) (resid 66  and name  hn   )   3.575  1.075  1.432 ! 20 added
assign (resid 33  and name  hd2# ) (resid 68  and name  hn   )   3.675  1.105  1.105
assign (resid 68  and name  hb#  ) (resid 68  and name  hn   )   2.560  0.770  0.770
assign (resid 72  and name  hg   ) (resid 68  and name  hn   )   3.785  1.135  1.135
assign (resid 33  and name  hd2# ) (resid 69  and name  hn   )   3.445  1.035  1.035
assign (resid 33  and name  hd2# ) (resid 70  and name  hn   )   3.430  1.030  1.030
assign (resid 31  and name  hg#  ) (resid 71  and name  hn   )   3.115  0.935  0.935
assign (resid 69  and name  ha   ) (resid 71  and name  hn   )   2.970  0.890  0.890
assign (resid 69  and name  hb#  ) (resid 71  and name  hn   )   3.995  1.195  1.195
assign (resid 70  and name  ha#  ) (resid 72  and name  hn   )   3.475  1.045  1.045
assign (resid 72  and name  hd1# ) (resid 73  and name  hn   )   3.815  1.145  1.145
assign (resid 76  and name  hb1  ) (resid 73  and name  hn   )   3.425  1.025  3.025 ! 2 ADDED
assign (resid 60  and name  hd#  ) (resid 74  and name  hn   )   2.915  0.875  0.875
assign (resid 60  and name  hg12 ) (resid 74  and name  hn   )   2.955  0.885  0.885
assign (resid 57  and name  hb   ) (resid 75  and name  hn   )   2.990  0.900  0.900
assign (resid 57  and name  hg2# ) (resid 75  and name  hn   )   3.055  0.915  0.915
assign (resid 57  and name  hd#  ) (resid 76  and name  hn   )   2.660  0.800  0.800
assign (resid 74  and name  hg1# ) (resid 76  and name  hn   )   2.945  0.885  0.885
assign (resid 109  and name  hb   ) (resid 77  and name  hn   )   3.415  1.025  1.025
assign (resid 112  and name  hg2# ) (resid 77  and name  hn   )   2.790  0.840  0.840
assign (resid 112  and name  hn   ) (resid 77  and name  hn   )   3.460  1.040  1.040
assign (resid 79  and name  hb2  ) (resid 79  and name  hn   )   2.515  0.755  0.755
assign (resid 80  and name  hb#  ) (resid 79  and name  hn   )   3.280  0.980  0.980
assign (resid 107  and name  ha   ) (resid 79  and name  hn   )   3.715  1.115  1.858 ! 20 % added
assign (resid 110  and name  hn   ) (resid 79  and name  hn   )   3.225  0.965  0.965
assign (resid 79  and name  hb2  ) (resid 80  and name  hn   )   2.585  0.775  0.775
assign (resid 108  and name  hb1  ) (resid 80  and name  hn   )   2.805  0.845  0.845
assign ((resid 109  and name  hb) or (resid 108 and name  hg#)) (resid 80  and name  hn   )   2.795  0.835  1.835 ! 1 A dded, overlapping
assign (resid 86  and name  hd2# ) (resid 81  and name  hn   )   2.760  0.830  0.830
assign (resid 86  and name  hg   ) (resid 81  and name  hn   )   2.940  0.880  0.880
assign (resid 106  and name  hg#  ) (resid 81  and name  hn   )   3.275  0.985  0.985
assign (resid 105  and name  hd#  ) (resid 82  and name  hn   )   3.870  1.160  1.160
assign (resid 84  and name  hg#  ) (resid 83  and name  hn   )   3.915  1.175  1.175
assign (resid 106  and name  hb2  ) (resid 83  and name  hn   )   3.810  1.140  1.140
assign (resid 87  and name  hb2  ) (resid 86  and name  hn   )   3.825  1.145  1.145
assign (resid 85  and name  hb#  ) (resid 87  and name  hn   )   3.430  1.030  1.030
assign (resid 87  and name  hd#  ) (resid 87  and name  hn   )   3.400  1.020  1.020
assign (resid 86  and name  hb2  ) (resid 89  and name  hn   )   3.510  1.050  3.381 ! 30% added 2 added
assign (resid 93  and name  hb1  ) (resid 90  and name  hn   )   3.400  1.020  1.020
assign (resid 93  and name  hb2  ) (resid 92  and name  hn   )   3.445  1.035  1.035
assign (resid 92  and name  hb1  ) (resid 93  and name  hn   )   2.815  0.845  0.845
assign (resid 94  and name  hb#  ) (resid 93  and name  hn   )   3.275  0.985  0.985
assign (resid 55  and name  hd#  ) (resid 94  and name  hn   )   3.475  1.045  1.045
assign (resid 86  and name  hd2# ) (resid 94  and name  hn   )   3.045  0.915  0.915
assign (resid 91  and name  hb1  ) (resid 94  and name  hn   )   3.895  1.165  1.165
assign (resid 45  and name  hd#  ) (resid 95  and name  hn   )   3.160  0.950  0.950
assign (resid 96  and name  hg2# ) (resid 95  and name  hn   )   3.260  0.980  0.980
assign (resid 92  and name  hd#  ) (resid 96  and name  hn   )   3.660  1.100  1.100
assign (resid 94  and name  hb#  ) (resid 96  and name  hn   )   3.395  1.015  1.015
assign (resid 97  and name  hb   ) (resid 96  and name  hn   )   3.070  0.920  0.920
assign (resid 81  and name  hg2# ) (resid 98  and name  hn   )   3.540  1.060  1.414 ! 10% added
assign (resid 99  and name  hb#  ) (resid 98  and name  hn   )   3.775  1.135  1.135
assign (resid 100  and name  hg1  ) (resid 99  and name  hn   )   3.555  1.065  1.065
assign (resid 99  and name  hb1  ) (resid 100  and name  hn   )   3.910  1.170  1.170
assign (resid 101  and name  hg#  ) (resid 100  and name  hn   )   3.710  1.110  1.110
assign (resid 98  and name  hd#  ) (resid 101  and name  hn   )   3.765  1.125  1.125
assign (resid 34  and name  hb1  ) (resid 104  and name  hn   )   3.780  1.130  1.130
assign (resid 33  and name  hd1# ) (resid 105  and name  hn   )   3.140  0.940  0.940
assign (resid 106  and name  hb2  ) (resid 105  and name  hn   )   3.575  1.075  2.075 ! 0.5 added check 0.5 added
assign (resid 81  and name  hb   ) (resid 106  and name  hn   )   3.630  1.090  1.090
assign (resid 81  and name  hg2# ) (resid 106  and name  hn   )   3.355  1.005  1.005
assign (resid 105  and name  hd#  ) (resid 106  and name  hn   )   3.600  1.080  1.080
assign (resid 107  and name  hd#  ) (resid 108  and name  hn   )   3.990  1.200  1.200
assign (resid 30  and name  hg#  ) (resid 109  and name  hn   )   3.615  1.085  1.085
assign (resid 76  and name  hb2  ) (resid 110  and name  hn   )   3.760  1.130  1.130
assign (resid 77  and name  ha   ) (resid 110  and name  hn   )   3.800  1.140  1.140
assign (resid 77  and name  hb#  ) (resid 110  and name  hn   )   2.915  0.875  0.875
assign (resid 78  and name  hb   ) (resid 110  and name  hn   )   3.090  0.930  2.351 ! 30% added
assign (resid 76  and name  ha   ) (resid 112  and name  hn   )   2.970  0.890  0.890
assign (resid 36  and name  hn   ) (resid 39  and name  hn   )   3.290  0.990  0.990
assign (resid 31  and name  hg#  ) (resid 72  and name  hn   )   2.820  0.280  0.280
assign (resid 45  and name  hd1# ) (resid 91  and name  hd2  )   3.500  0.800  0.800
assign (resid 48  and name  ha1  ) (resid 91  and name  hn   )   3.390  0.340  0.340
assign (resid 55  and name  hd#  ) (resid 91  and name  hd2  )   2.800  0.280  0.280
assign (resid 55  and name  hg2# ) (resid 91  and name  hd2  )   3.360  0.340  0.340
assign (resid 72  and name  hd1# ) (resid 73  and name  hn   )   2.975  0.295  0.295
assign (resid 72  and name  hd1# ) (resid 105  and name  hg2# )   1.590  0.160  2.660 ! close to diagonal
assign (resid 72  and name  hd1# ) (resid 107  and name  hd#  )   3.015  0.305  0.305
assign (resid 81  and name  hg1# ) (resid 82  and name  hn   )   2.420  0.240  0.240
assign (resid 92  and name  hg#  ) (resid 91  and name  hd2  )   2.725  0.275  1.275 ! 1 added
assign (resid 94  and name  hb#  ) (resid 91  and name  hd2  )   3.255  0.325  0.325
assign (resid 95  and name  hg1# ) (resid 91  and name  hd2  )   2.810  0.280  0.280
assign (resid 95  and name  hg2# ) (resid 91  and name  hd2  )   3.010  0.300  1.300 ! 1 added
assign (resid 105  and name  hg2# ) (resid 107  and name  hd#  )   2.265  0.225  0.225
assign (resid 105  and name  hg2# ) (resid 107  and name  he#  )   2.235  0.225  0.225
assign (resid 107  and name  hd#  ) (resid 107  and name  hn   )   3.100  0.400  0.400
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid 84  and name  ha   ) (resid 81  and name  hn   )   4.170  1.250  1.250
assign (resid  30  and name  hb1  ) (resid  30  and name  ha   )   2.558  1.023  1.023  ! rescaled by50.%
assign (resid  30  and name  hd#  ) (resid  30  and name  ha   )   2.790  1.116  1.116  ! rescaled by50.%
assign (resid  30  and name  hg#  ) (resid  30  and name  ha   )   2.767  1.107  1.107  ! rescaled by50.%
assign (resid  31  and name  hb   ) (resid  31  and name  ha   )   2.692  1.077  1.077  ! rescaled by50.%
assign (resid  31  and name  hg#  ) (resid  31  and name  ha   )   2.168  0.867  0.867  ! rescaled by50.%
assign (resid  31  and name  hg#  ) (resid  31  and name  hb   )   2.220  0.888  0.888  ! rescaled by50.%
assign (resid  32  and name  hb#  ) (resid  32  and name  ha   )   3.195  1.278  1.278  ! rescaled by50.%
assign (resid  32  and name  hd#  ) (resid  32  and name  ha   )   2.850  1.140  1.140  ! rescaled by50.%
assign (resid  33  and name  hd1# ) (resid  33  and name  hb1  )   2.723  1.089  1.089  ! rescaled by50.%
assign (resid  33  and name  hd1# ) (resid  33  and name  hb2  )   2.798  1.119  1.119  ! rescaled by50.%
assign (resid  33  and name  hd2# ) (resid  33  and name  hb1  )   3.008  1.203  1.203  ! rescaled by50.%
assign (resid  33  and name  hd2# ) (resid  33  and name  hb2  )   2.872  1.149  1.149  ! rescaled by50.%
assign (resid  35  and name  hg#  ) (resid  35  and name  hb#  )   2.775  1.110  1.110  ! rescaled by50.%
assign (resid  43  and name  hd#  ) (resid  43  and name  hb   )   2.520  1.008  1.008  ! rescaled by50.%
assign (resid  43  and name  hg11 ) (resid  43  and name  hb   )   2.595  1.038  1.038  ! rescaled by50.%
assign (resid  43  and name  hg12 ) (resid  43  and name  hb   )   2.723  1.089  1.089  ! rescaled by50.%
assign (resid  43  and name  hg2# ) (resid  43  and name  hb   )   2.332  0.933  0.933  ! rescaled by50.%
assign (resid  45  and name  hd#  ) (resid  45  and name  hb   )   2.558  1.023  1.023  ! rescaled by50.%
assign (resid  45  and name  hg2# ) (resid  45  and name  hb   )   2.467  0.987  0.987  ! rescaled by50.%
assign (resid  46  and name  hg2# ) (resid  46  and name  hb   )   2.707  1.083  1.083  ! rescaled by50.%
assign (resid  46  and name  hg2# ) (resid  58  and name  hb#  )   2.745  1.098  1.098  ! rescaled by50.%
assign (resid  47  and name  ha1  ) (resid  55  and name  ha   )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid  50  and name  hb#  ) (resid  50  and name  ha   )   2.423  0.969  0.969  ! rescaled by50.%
assign (resid  50  and name  hg#  ) (resid  50  and name  ha   )   3.300  1.320  1.320  ! rescaled by50.%
assign (resid  50  and name  hg#  ) (resid  51  and name  hb1  )   2.970  1.188  1.188  ! rescaled by50.%
assign (resid  51  and name  hb1  ) (resid  51  and name  hb2  )   2.820  1.128  1.128  ! rescaled by50.%
assign (resid  53  and name  hg1# ) (resid  47  and name  ha1  )   3.195  1.278  1.278  ! rescaled by50.%
assign (resid  53  and name  hg1# ) (resid  51  and name  hb1  )   3.180  1.272  1.272  ! rescaled by50.%
assign (resid  53  and name  hg1# ) (resid  51  and name  hb2  )   3.120  1.248  1.248  ! rescaled by50.%
assign (resid  53  and name  hg1# ) (resid  53  and name  hb   )   2.955  1.182  1.182  ! rescaled by50.%
assign (resid  53  and name  hg2# ) (resid  53  and name  hb   )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  54  and name  hb1  ) (resid  53  and name  hb   )   3.045  1.218  1.718  ! rescaled by50.%
assign (resid  55  and name  hb   ) (resid  55  and name  ha   )   2.805  1.122  1.122  ! rescaled by50.%
assign (resid  55  and name  hd#  ) (resid  55  and name  hb   )   2.790  1.116  1.116  ! rescaled by50.%
assign (resid  55  and name  hg2# ) (resid  55  and name  ha   )   2.933  1.173  1.173  ! rescaled by50.%
assign (resid  55  and name  hg2# ) (resid  55  and name  hb   )   2.625  1.050  1.050  ! rescaled by50.%
assign (resid  56  and name  hb1  ) (resid  56  and name  hb2  )   2.490  0.996  0.996  ! rescaled by50.%
assign (resid  56  and name  hd1# ) (resid  56  and name  ha   )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  56  and name  hd1# ) (resid  56  and name  hb2  )   2.805  1.122  1.122  ! rescaled by50.%
assign (resid  56  and name  hd2# ) (resid  56  and name  ha   )   3.277  1.311  1.311  ! rescaled by50.%
assign (resid  56  and name  hd2# ) (resid  56  and name  hb2  )   2.835  1.134  1.134  ! rescaled by50.%
assign (resid  60  and name  hd#  ) (resid  60  and name  hb   )   2.723  1.089  1.089  ! rescaled by50.%
assign (resid  60  and name  hg2# ) (resid  60  and name  hb   )   2.467  0.987  0.987  ! rescaled by50.%
assign (resid  61  and name  hb1  ) (resid  61  and name  hb2  )   2.775  1.110  1.110  ! rescaled by50.%
assign (resid  62  and name  hb1  ) (resid  62  and name  ha   )   2.438  0.975  0.975  ! rescaled by50.%
assign (resid  62  and name  hb2  ) (resid  62  and name  ha   )   2.580  1.032  1.032  ! rescaled by50.%
assign (resid  62  and name  hb2  ) (resid  62  and name  hd1  )   2.745  1.098  1.098  ! rescaled by50.%
assign (resid  62  and name  hd1  ) (resid  62  and name  hd2  )   2.452  0.981  0.981  ! rescaled by50.%
assign (resid  62  and name  hg1  ) (resid  62  and name  hd1  )   3.082  1.233  1.233  ! rescaled by50.%
assign (resid  62  and name  hg1  ) (resid  62  and name  hd2  )   3.098  1.239  1.239  ! rescaled by50.%
assign (resid  64  and name  hb1  ) (resid  64  and name  hb2  )   2.122  0.849  0.849  ! rescaled by50.%
assign (resid  66  and name  hb#  ) (resid  66  and name  ha   )   2.572  1.029  1.029  ! rescaled by50.%
assign (resid  67  and name  hb#  ) (resid  62  and name  ha   )   3.053  1.221  1.221  ! rescaled by50.%
assign (resid  68  and name  hb#  ) (resid  68  and name  ha   )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  71  and name  ha1  ) (resid  71  and name  ha2  )   2.430  0.972  0.972  ! rescaled by50.%
assign (resid  72  and name  hd1# ) (resid  43  and name  hg2# )   2.527  1.011  2.011  ! rescaled by50.% 1 added
assign (resid  72  and name  hd1# ) (resid  72  and name  hb1  )   2.977  1.191  1.191  ! rescaled by50.%
assign (resid  72  and name  hd1# ) (resid  72  and name  hb2  )   3.540  1.416  1.416  ! rescaled by50.%
assign (resid  72  and name  hd1# ) (resid  72  and name  hd2# )   2.205  0.882  0.882  ! rescaled by50.%
assign (resid  72  and name  hd2# ) (resid  31  and name  hb   )   2.805  1.122  1.122  ! rescaled by50.%
assign (resid  72  and name  hd2# ) (resid  72  and name  hb1  )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid  72  and name  hd2# ) (resid  72  and name  hb2  )   2.618  1.047  1.047  ! rescaled by50.%
assign (resid  73  and name  hb1  ) (resid  73  and name  hb2  )   2.760  1.104  1.104  ! rescaled by50.%
assign (resid  74  and name  hb   ) (resid  74  and name  ha   )   3.533  1.413  1.413  ! rescaled by50.%
assign (resid  74  and name  hg#  ) (resid  74  and name  ha   )   2.475  0.990  0.990  ! rescaled by50.%
assign (resid  74  and name  hg#  ) (resid  74  and name  hb   )   2.130  0.852  0.852  ! rescaled by50.%
assign (resid  75  and name  ha1  ) (resid  75  and name  ha2  )   2.505  1.002  1.002  ! rescaled by50.%
assign (resid  77  and name  hb#  ) (resid  77  and name  ha   )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  79  and name  hd#  ) (resid  79  and name  ha   )   2.483  0.993  0.993  ! rescaled by50.%
assign (resid  80  and name  hb#  ) (resid  80  and name  ha   )   2.355  0.942  0.942  ! rescaled by50.%
assign (resid  81  and name  hg1# ) (resid  81  and name  hb   )   2.423  0.969  0.969  ! rescaled by50.%
assign (resid  81  and name  hg2# ) (resid  81  and name  hb   )   2.602  1.041  1.041  ! rescaled by50.%
assign (resid  82  and name  hb1  ) (resid  82  and name  hb2  )   2.595  1.038  1.038  ! rescaled by50.%
assign (resid  83  and name  ha1  ) (resid  83  and name  ha2  )   2.392  0.957  0.957  ! rescaled by50.%
assign (resid  84  and name  hb   ) (resid  84  and name  ha   )   2.798  1.119  1.119  ! rescaled by50.%
assign (resid  84  and name  hg#  ) (resid  84  and name  ha   )   2.257  0.903  0.903  ! rescaled by50.%
assign (resid  84  and name  hg#  ) (resid  84  and name  hb   )   2.295  0.918  0.918  ! rescaled by50.%
assign (resid  89  and name  hg2# ) (resid  89  and name  ha   )   2.610  1.044  1.044  ! rescaled by50.%
assign (resid  91  and name  hb1  ) (resid  91  and name  hb2  )   2.602  1.041  1.041  ! rescaled by50.%
assign (resid  93  and name  hb1  ) (resid  93  and name  ha   )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  93  and name  hb2  ) (resid  93  and name  ha   )   2.452  0.981  0.981  ! rescaled by50.%
assign (resid  96  and name  hg2# ) (resid  96  and name  ha   )   2.490  0.996  0.996  ! rescaled by50.%
assign (resid  97  and name  hb   ) (resid  97  and name  ha   )   2.497  0.999  0.999  ! rescaled by50.%
assign (resid  97  and name  hg11 ) (resid  97  and name  ha   )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid  97  and name  hg11 ) (resid  97  and name  hb   )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid  97  and name  hg12 ) (resid  97  and name  hb   )   2.430  0.972  0.972  ! rescaled by50.%
assign (resid  97  and name  hg2# ) (resid  97  and name  ha   )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  98  and name  hb1  ) (resid  98  and name  ha   )   3.405  1.362  1.362  ! rescaled by50.%
assign (resid  98  and name  hd#  ) (resid  98  and name  ha   )   2.602  1.041  1.041  ! rescaled by50.%
assign (resid  98  and name  hd#  ) (resid  98  and name  hb1  )   2.827  1.131  1.131  ! rescaled by50.%
assign (resid  98  and name  hd#  ) (resid  98  and name  hb2  )   2.820  1.128  1.128  ! rescaled by50.%
assign (resid  98  and name  hg   ) (resid  98  and name  ha   )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid  99  and name  hb#  ) (resid  99  and name  ha   )   2.408  0.963  0.963  ! rescaled by50.%
assign (resid 105  and name  hd#  ) (resid 105  and name  hb   )   3.247  1.299  1.299  ! rescaled by50.%
assign (resid 105  and name  hg2# ) (resid 105  and name  hb   )   3.322  1.329  1.329  ! rescaled by50.%
assign (resid 106  and name  hg#  ) (resid  30  and name  ha   )   2.767  1.107  1.107  ! rescaled by50.%
assign (resid 108  and name  hb1  ) (resid 108  and name  ha   )   3.060  1.224  1.224  ! rescaled by50.%
assign (resid 108  and name  hb2  ) (resid  30  and name  ha   )   3.082  1.233  1.233  ! rescaled by50.%
assign (resid 108  and name  hb2  ) (resid 108  and name  ha   )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid 109  and name  hb   ) (resid 109  and name  ha   )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid 109  and name  hg#  ) (resid 109  and name  ha   )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid 109  and name  hg1# ) (resid  30  and name  ha   )   2.827  1.131  1.631  ! rescaled by50.% 0.5 added
assign (resid 110  and name  hg1# ) (resid 110  and name  ha   )   2.400  0.960  0.960  ! rescaled by50.%
assign (resid 110  and name  hg2# ) (resid 110  and name  ha   )   2.527  1.011  1.011  ! rescaled by50.%
assign (resid 112  and name  hb   ) (resid 112  and name  ha   )   2.325  0.930  0.930  ! rescaled by50.%
assign (resid 112  and name  hg#  ) (resid 112  and name  ha   )   2.332  0.933  0.933  ! rescaled by50.%
assign (resid  31  and name  ha   ) (resid  31  and name  hb   )   3.255  1.302  1.302  ! rescaled by50.%
assign (resid  31  and name  ha   ) (resid  31  and name  hg#  )   2.115  0.846  0.846  ! rescaled by50.%
assign (resid  31  and name  ha   ) (resid  32  and name  hb#  )   2.902  1.161  1.161  ! rescaled by50.%
assign (resid  32  and name  ha   ) (resid  32  and name  hb#  )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  32  and name  ha   ) (resid  32  and name  hd#  )   2.085  0.834  0.834  ! rescaled by50.%
assign (resid  32  and name  ha   ) (resid  33  and name  hb1  )   3.202  1.281  1.281  ! rescaled by50.%
assign (resid  33  and name  ha   ) (resid  33  and name  hb1  )   2.872  1.149  1.149  ! rescaled by50.%
assign (resid  33  and name  ha   ) (resid  33  and name  hb2  )   3.008  1.203  1.203  ! rescaled by50.%
assign (resid  33  and name  ha   ) (resid  33  and name  hd1# )   2.858  1.143  1.143  ! rescaled by50.%
assign (resid  34  and name  ha   ) (resid  34  and name  hd#  )   2.213  0.885  0.885  ! rescaled by50.%
assign (resid  35  and name  ha   ) (resid  35  and name  hb#  )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid  35  and name  ha   ) (resid  35  and name  hb#  )   3.090  1.236  1.236  ! rescaled by50.%
assign (resid  38  and name  ha   ) (resid  38  and name  hb2  )   2.648  1.059  1.059  ! rescaled by50.%
assign (resid  40  and name  ha2  ) (resid  40  and name  ha1  )   2.572  1.029  1.029  ! rescaled by50.%
assign (resid  41  and name  ha   ) (resid  41  and name  hd2# )   2.902  1.161  1.161  ! rescaled by50.%
assign (resid  43  and name  ha   ) (resid  43  and name  hb   )   3.053  1.221  1.221  ! rescaled by50.%
assign (resid  43  and name  ha   ) (resid  43  and name  hg2# )   2.505  1.002  1.002  ! rescaled by50.%
assign (resid  43  and name  hb   ) (resid  41  and name  hd2# )   1.035  0.690  1.690  ! rescaled by50.% ! 1 added
assign (resid  43  and name  hb   ) (resid  43  and name  hd#  )   2.445  0.978  0.978  ! rescaled by50.%
assign (resid  43  and name  hb   ) (resid  43  and name  hg2# )   2.332  0.933  0.933  ! rescaled by50.%
assign (resid  43  and name  hg12 ) (resid  43  and name  hd#  )   2.438  0.975  0.975  ! rescaled by50.%
assign (resid  45  and name  ha   ) (resid  45  and name  hb   )   3.082  1.233  1.233  ! rescaled by50.%
assign (resid  45  and name  ha   ) (resid  45  and name  hd#  )   3.000  1.200  1.200  ! rescaled by50.%
assign (resid  45  and name  ha   ) (resid  45  and name  hg2# )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  45  and name  hb   ) (resid  45  and name  hd#  )   2.632  1.053  1.053  ! rescaled by50.%
assign (resid  45  and name  hb   ) (resid  45  and name  hd#  )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  45  and name  hg11 ) (resid  45  and name  hd#  )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  45  and name  hn   ) (resid  45  and name  hg2# )   3.240  1.296  1.296  ! rescaled by50.%
assign (resid  45  and name  hg1# ) (resid  45  and name  hd#  )   2.340  0.936  0.936  ! rescaled by50.%
assign (resid  46  and name  ha   ) (resid  46  and name  hb   )   2.543  1.017  1.017  ! rescaled by50.%
assign (resid  46  and name  ha   ) (resid  46  and name  hg2# )   2.730  1.092  1.092  ! rescaled by50.%
assign (resid  46  and name  hb   ) (resid  46  and name  hg2# )   3.023  1.209  1.209  ! rescaled by50.%
assign (resid  46  and name  hn   ) (resid  45  and name  hg2# )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  47  and name  ha2  ) (resid  47  and name  ha1  )   2.400  0.960  0.960  ! rescaled by50.%
assign (resid  47  and name  ha2  ) (resid  53  and name  hb   )   3.180  1.272  1.272  ! rescaled by50.%
assign (resid  48  and name  ha2  ) (resid  48  and name  ha1  )   2.527  1.011  1.011  ! rescaled by50.%
assign (resid  48  and name  ha2  ) (resid  55  and name  hd#  )   2.595  1.038  1.038  ! rescaled by50.%
assign (resid  48  and name  hn   ) (resid  55  and name  hd#  )   3.277  1.311  1.311  ! rescaled by50.%
assign (resid  50  and name  ha   ) (resid  50  and name  hb#  )   2.872  1.149  1.149  ! rescaled by50.%
assign (resid  51  and name  ha   ) (resid  51  and name  hb1  )   2.648  1.059  1.059  ! rescaled by50.%
assign (resid  51  and name  ha   ) (resid  51  and name  hb2  )   3.293  1.317  1.317  ! rescaled by50.%
assign (resid  51  and name  hb1  ) (resid  53  and name  hg1# )   2.497  0.999  0.999  ! rescaled by50.%
assign (resid  51  and name  hb2  ) (resid  51  and name  hb1  )   2.820  1.128  1.128  ! rescaled by50.%
assign (resid  51  and name  hn   ) (resid  53  and name  hg1# )   3.015  1.206  1.206  ! rescaled by50.%
assign (resid  53  and name  ha   ) (resid  53  and name  hb   )   2.678  1.071  1.071  ! rescaled by50.%
assign (resid  53  and name  ha   ) (resid  53  and name  hg1# )   2.467  0.987  0.987  ! rescaled by50.%
assign (resid  53  and name  ha   ) (resid  53  and name  hg2# )   2.265  0.906  0.906  ! rescaled by50.%
assign (resid  53  and name  hb   ) (resid  53  and name  hg1# )   2.295  0.918  0.918  ! rescaled by50.%
assign (resid  53  and name  hb   ) (resid  53  and name  hg2# )   2.190  0.876  0.876  ! rescaled by50.%
assign (resid  53  and name  hn   ) (resid  53  and name  hg1# )   2.160  0.864  0.864  ! rescaled by50.%
assign (resid  53  and name  hn   ) (resid  53  and name  hg2# )   2.558  1.023  1.023  ! rescaled by50.%
assign (resid  54  and name  ha   ) (resid  54  and name  hb1  )   2.783  1.113  1.113  ! rescaled by50.%
assign (resid  54  and name  ha   ) (resid  54  and name  hb2  )   3.307  1.323  1.323  ! rescaled by50.%
assign (resid  54  and name  hd1  ) (resid  53  and name  hb   )   2.655  1.062  1.062  ! rescaled by50.%
assign (resid  54  and name  hd1  ) (resid  53  and name  hg2# )   2.430  0.972  0.972  ! rescaled by50.%
assign (resid  54  and name  hd1  ) (resid  56  and name  hd1# )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid  54  and name  hd2  ) (resid  53  and name  hg1# )   3.270  1.308  1.308  ! rescaled by50.%
assign (resid  54  and name  hd2  ) (resid  53  and name  hg2# )   2.520  1.008  1.008  ! rescaled by50.%
assign (resid  55  and name  ha   ) (resid  55  and name  hb   )   3.675  1.470  1.470  ! rescaled by50.%
assign (resid  55  and name  ha   ) (resid  55  and name  hd#  )   2.625  1.050  1.050  ! rescaled by50.%
assign (resid  55  and name  ha   ) (resid  55  and name  hg2# )   2.602  1.041  1.041  ! rescaled by50.%
assign (resid  55  and name  hb   ) (resid  55  and name  hd#  )   3.053  1.221  1.221  ! rescaled by50.%
assign (resid  55  and name  hb   ) (resid  55  and name  hg2# )   2.452  0.981  0.981  ! rescaled by50.%
assign (resid  55  and name  hg11 ) (resid  55  and name  hd#  )   2.565  1.026  1.026  ! rescaled by50.%
assign (resid  55  and name  hg12 ) (resid  55  and name  hd#  )   2.745  1.098  1.098  ! rescaled by50.%
assign (resid  55  and name  hn   ) (resid  55  and name  hd#  )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid  56  and name  ha   ) (resid  55  and name  hd#  )   3.315  1.326  2.157  ! rescaled by50.% ! 0.5 added
assign (resid  56  and name  ha   ) (resid  56  and name  hb1  )   2.977  1.191  1.191  ! rescaled by50.%
assign (resid  56  and name  ha   ) (resid  56  and name  hd1# )   2.423  0.969  0.969  ! rescaled by50.%
assign (resid  56  and name  ha   ) (resid  56  and name  hd2# )   3.570  1.428  1.428  ! rescaled by50.%
assign (resid  56  and name  hb1  ) (resid  56  and name  hd1# )   2.332  0.933  0.933  ! rescaled by50.%
assign (resid  56  and name  hb1  ) (resid  56  and name  hd2# )   2.895  1.158  1.158  ! rescaled by50.%
assign (resid  56  and name  hb2  ) (resid  56  and name  hb1  )   2.505  1.002  1.002  ! rescaled by50.%
assign (resid  56  and name  hb2  ) (resid  56  and name  hd2# )   2.325  0.930  0.930  ! rescaled by50.%
assign (resid  56  and name  hg   ) (resid  56  and name  hd1# )   2.378  0.951  0.951  ! rescaled by50.%
assign (resid  56  and name  hn   ) (resid  55  and name  hd#  )   2.902  1.161  1.161  ! rescaled by50.%
assign (resid  57  and name  ha   ) (resid  45  and name  hg2# )   2.618  1.047  1.047  ! rescaled by50.%
assign (resid  57  and name  ha   ) (resid  57  and name  hb   )   3.810  1.524  1.524  ! rescaled by50.%
assign (resid  57  and name  ha   ) (resid  57  and name  hd#  )   2.580  1.032  1.032  ! rescaled by50.%
assign (resid  57  and name  ha   ) (resid  57  and name  hg2# )   2.805  1.122  1.122  ! rescaled by50.%
assign (resid  57  and name  hb   ) (resid  45  and name  hg2# )   2.745  1.098  1.598  ! rescaled by50.%
assign (resid  57  and name  hb   ) (resid  57  and name  hd#  )   2.497  0.999  0.999  ! rescaled by50.%
assign (resid  57  and name  hb   ) (resid  57  and name  hg2# )   2.707  1.083  1.083  ! rescaled by50.%
assign (resid  57  and name  hg12 ) (resid  57  and name  hg2# )   2.970  1.188  1.188  ! rescaled by50.%
assign (resid  57  and name  hn   ) (resid  56  and name  hd1# )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid  57  and name  hn   ) (resid  57  and name  hb   )   3.000  1.200  1.200  ! rescaled by50.%
assign (resid  57  and name  hn   ) (resid  57  and name  hd#  )   2.835  1.134  1.134  ! rescaled by50.%
assign (resid  57  and name  hn   ) (resid  57  and name  hg2# )   2.842  1.137  1.137  ! rescaled by50.%
assign (resid  58  and name  ha   ) (resid  58  and name  hb#  )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid  60  and name  ha   ) (resid  60  and name  hd#  )   2.452  0.981  0.981  ! rescaled by50.%
assign (resid  60  and name  ha   ) (resid  60  and name  hg2# )   2.310  0.924  0.924  ! rescaled by50.%
assign (resid  60  and name  hb   ) (resid  60  and name  hd#  )   2.475  0.990  0.990  ! rescaled by50.%
assign (resid  60  and name  hb   ) (resid  60  and name  hg2# )   2.340  0.936  0.936  ! rescaled by50.%
assign (resid  60  and name  hg11 ) (resid  60  and name  hd#  )   2.190  0.876  0.876  ! rescaled by50.%
assign (resid  60  and name  hg12 ) (resid  60  and name  hd#  )   2.370  0.948  0.948  ! rescaled by50.%
assign (resid  60  and name  hg12 ) (resid  60  and name  hg2# )   2.827  1.131  1.131  ! rescaled by50.%
assign (resid  60  and name  hn   ) (resid  60  and name  hb   )   2.783  1.113  1.113  ! rescaled by50.%
assign (resid  60  and name  hn   ) (resid  60  and name  hg2# )   3.705  1.482  1.482  ! rescaled by50.%
assign (resid  61  and name  hb2  ) (resid  61  and name  hb1  )   3.090  1.236  1.236  ! rescaled by50.%
assign (resid  61  and name  hn   ) (resid  60  and name  hg2# )   3.000  1.200  1.200  ! rescaled by50.%
assign (resid  62  and name  ha   ) (resid  62  and name  hb1  )   2.798  1.119  1.119  ! rescaled by50.%
assign (resid  62  and name  ha   ) (resid  62  and name  hb2  )   2.632  1.053  1.053  ! rescaled by50.%
assign (resid  62  and name  hd1  ) (resid  62  and name  hg1  )   2.678  1.071  1.071  ! rescaled by50.%
assign (resid  62  and name  hd1  ) (resid  62  and name  hg2  )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid  62  and name  hd2  ) (resid  62  and name  hd1  )   2.430  0.972  0.972  ! rescaled by50.%
assign (resid  64  and name  hb2  ) (resid  60  and name  hg2# )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid  64  and name  hb2  ) (resid  64  and name  hb1  )   2.273  0.909  0.909  ! rescaled by50.%
assign (resid  66  and name  ha   ) (resid  66  and name  hb#  )   2.408  0.963  0.963  ! rescaled by50.%
assign (resid  66  and name  hb#  ) (resid  60  and name  hd#  )   2.558  1.023  1.023  ! rescaled by50.%
assign (resid  66  and name  hn   ) (resid  66  and name  hb#  )   2.610  1.044  1.044  ! rescaled by50.%
assign (resid  67  and name  ha   ) (resid  67  and name  hb#  )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid  68  and name  hd#  ) (resid  68  and name  hb#  )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid  68  and name  hn   ) (resid  68  and name  ha   )   2.977  1.191  1.191  ! rescaled by50.%
assign (resid  69  and name  ha   ) (resid  69  and name  hb#  )   2.558  1.023  1.023  ! rescaled by50.%
assign (resid  71  and name  ha1  ) (resid  31  and name  hg#  )   2.378  0.951  0.951  ! rescaled by50.%
assign (resid  71  and name  hn   ) (resid  71  and name  ha1  )   3.150  1.260  1.260  ! rescaled by50.%
assign (resid  72  and name  ha   ) (resid  31  and name  hg#  )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  72  and name  ha   ) (resid  72  and name  hb1  )   3.443  1.377  1.377  ! rescaled by50.%
assign (resid  72  and name  ha   ) (resid  72  and name  hb2  )   3.967  1.587  1.587  ! rescaled by50.%
assign (resid  72  and name  ha   ) (resid  72  and name  hd2# )   2.505  1.002  1.002  ! rescaled by50.%
assign (resid  72  and name  hb2  ) (resid  72  and name  hd2# )   2.572  1.029  1.029  ! rescaled by50.%
assign (resid  72  and name  hd2# ) (resid  72  and name  hd1# )   2.295  0.918  0.918  ! rescaled by50.%
assign (resid  72  and name  hg   ) (resid  72  and name  hd1# )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  72  and name  hg   ) (resid  72  and name  hd2# )   2.655  1.062  1.062  ! rescaled by50.%
assign (resid  72  and name  hn   ) (resid  72  and name  hd2# )   3.832  1.533  1.533  ! rescaled by50.%
assign (resid  73  and name  ha   ) (resid  73  and name  hb1  )   3.315  1.326  1.326  ! rescaled by50.%
assign (resid  73  and name  ha   ) (resid  73  and name  hb2  )   3.098  1.239  1.239  ! rescaled by50.%
assign (resid  73  and name  hb2  ) (resid  73  and name  hb1  )   2.700  1.080  1.080  ! rescaled by50.%
assign (resid  73  and name  hd2  ) (resid  73  and name  hb2  )   4.770  1.908  1.908  ! rescaled by50.%
assign (resid  73  and name  hn   ) (resid  73  and name  hb1  )   3.420  1.368  1.368  ! rescaled by50.%
assign (resid  74  and name  ha   ) (resid  74  and name  hg#  )   2.295  0.918  0.918  ! rescaled by50.%
assign (resid  74  and name  hn   ) (resid  74  and name  ha   )   3.210  1.284  1.284  ! rescaled by50.%
assign (resid  74  and name  hn   ) (resid  74  and name  hb   )   2.970  1.188  1.188  ! rescaled by50.%
assign (resid  74  and name  hn   ) (resid  74  and name  hg#  )   2.572  1.029  1.029  ! rescaled by50.%
assign (resid  75  and name  ha2  ) (resid  75  and name  ha1  )   2.767  1.107  1.107  ! rescaled by50.%
assign (resid  75  and name  hn   ) (resid  74  and name  ha   )   2.618  1.047  1.047  ! rescaled by50.%
assign (resid  76  and name  ha   ) (resid  76  and name  hb#  )   2.655  1.062  1.062  ! rescaled by50.%
assign (resid  76  and name  hb#  ) (resid  57  and name  hd#  )   2.572  1.029  1.029  ! rescaled by50.%
assign (resid  76  and name  hn   ) (resid  74  and name  ha   )   3.495  1.398  1.398  ! rescaled by50.%
assign (resid  77  and name  ha   ) (resid  56  and name  ha   )   3.098  1.239  1.239  ! rescaled by50.%
assign (resid  77  and name  ha   ) (resid  56  and name  hd1# )   2.475  0.990  0.990  ! rescaled by50.%
assign (resid  77  and name  ha   ) (resid  77  and name  hb#  )   2.378  0.951  0.951  ! rescaled by50.%
assign (resid  77  and name  hb#  ) (resid  56  and name  hd1# )   2.303  0.921  0.921  ! rescaled by50.%
assign (resid  77  and name  hn   ) (resid  77  and name  hb#  )   2.460  0.984  0.984  ! rescaled by50.%
assign (resid  78  and name  ha   ) (resid  78  and name  hb   )   2.842  1.137  1.137  ! rescaled by50.%
assign (resid  78  and name  ha   ) (resid  78  and name  hd#  )   2.775  1.110  1.110  ! rescaled by50.%
assign (resid  78  and name  hn   ) (resid  56  and name  hd1# )   2.625  1.050  1.050  ! rescaled by50.%
assign (resid  78  and name  hn   ) (resid  78  and name  hb   )   3.045  1.218  1.218  ! rescaled by50.%
assign (resid  80  and name  ha   ) (resid  80  and name  hb#  )   2.235  0.894  0.894  ! rescaled by50.%
assign (resid  80  and name  hn   ) (resid  80  and name  hb#  )   2.595  1.038  1.038  ! rescaled by50.%
assign (resid  81  and name  ha   ) (resid  81  and name  hb   )   2.820  1.128  1.128  ! rescaled by50.%
assign (resid  81  and name  ha   ) (resid  81  and name  hg2# )   2.550  1.020  1.020  ! rescaled by50.%
assign (resid  81  and name  hb   ) (resid  81  and name  hg1# )   2.325  0.930  0.930  ! rescaled by50.%
assign (resid  81  and name  hn   ) (resid  80  and name  hb#  )   2.452  0.981  0.981  ! rescaled by50.%
assign (resid  81  and name  hn   ) (resid  81  and name  hg2# )   2.445  0.978  0.978  ! rescaled by50.%
assign (resid  81  and name  hn   ) (resid  81  and name  hg1# )   2.993  1.197  1.197  ! rescaled by50.%
assign (resid  82  and name  ha   ) (resid  82  and name  hb1  )   2.970  1.188  1.188  ! rescaled by50.%
assign (resid  82  and name  ha   ) (resid  82  and name  hb2  )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid  82  and name  hb2  ) (resid  82  and name  hb1  )   2.400  0.960  0.960  ! rescaled by50.%
assign (resid  82  and name  hd21 ) (resid  82  and name  hb2  )   3.975  1.590  1.590  ! rescaled by50.%
assign (resid  82  and name  hd22 ) (resid  82  and name  hb1  )   3.457  1.383  1.383  ! rescaled by50.%
assign (resid  83  and name  ha2  ) (resid  83  and name  ha1  )   2.415  0.966  0.966  ! rescaled by50.%
assign (resid  84  and name  hb   ) (resid  84  and name  hg#  )   2.378  0.951  0.951  ! rescaled by50.%
assign (resid  85  and name  ha   ) (resid  85  and name  hb#  )   3.105  1.242  1.242  ! rescaled by50.%
assign (resid  86  and name  ha   ) (resid  86  and name  hb1  )   3.405  1.362  1.362  ! rescaled by50.%
assign (resid  86  and name  ha   ) (resid  86  and name  hb2  )   3.330  1.332  1.332  ! rescaled by50.%
assign (resid  88  and name  ha   ) (resid  88  and name  hb1  )   3.202  1.281  1.281  ! rescaled by50.%
assign (resid  88  and name  ha   ) (resid  88  and name  hb2  )   3.480  1.392  1.392  ! rescaled by50.%
assign (resid  89  and name  ha   ) (resid  89  and name  hg2# )   2.348  0.939  0.939  ! rescaled by50.%
assign (resid  89  and name  hb   ) (resid  89  and name  hg2# )   2.295  0.918  0.918  ! rescaled by50.%
assign (resid  89  and name  hn   ) (resid  89  and name  hg2# )   2.745  1.098  1.098  ! rescaled by50.%
assign (resid  91  and name  ha   ) (resid  55  and name  hg2# )   3.008  1.203  9.203  ! rescaled by50.% ! Taken out
assign (resid  91  and name  hb2  ) (resid  91  and name  hb1  )   2.955  1.182  1.182  ! rescaled by50.%
assign (resid  92  and name  hn   ) (resid  92  and name  ha   )   3.383  1.353  1.353  ! rescaled by50.%
assign (resid  94  and name  hb#  ) (resid  55  and name  hd#  )   2.340  0.936  1.670  ! rescaled by50.% plus 10 0.5 added
assign (resid  95  and name  ha   ) (resid  45  and name  hd#  )   2.850  1.140  1.640  ! rescaled by50.% 0.5 added
assign (resid  95  and name  ha   ) (resid  95  and name  hg1# )   2.723  1.089  1.089  ! rescaled by50.%
assign (resid  95  and name  hn   ) (resid  45  and name  hd#  )   2.895  1.158  1.158  ! rescaled by50.%
assign (resid  96  and name  ha   ) (resid  96  and name  hg2# )   2.363  0.945  0.945  ! rescaled by50.%
assign (resid  96  and name  hb   ) (resid  93  and name  ha   )   2.993  1.197  1.197  ! rescaled by50.%
assign (resid  96  and name  hb   ) (resid  96  and name  ha   )   2.925  1.170  1.170  ! rescaled by50.%
assign (resid  96  and name  hb   ) (resid  96  and name  hg2# )   2.175  0.870  0.870  ! rescaled by50.%
assign (resid  96  and name  hn   ) (resid  96  and name  hg2# )   2.993  1.197  1.197  ! rescaled by50.%
assign (resid  97  and name  ha   ) (resid  97  and name  hb   )   3.270  1.308  1.308  ! rescaled by50.%
assign (resid  97  and name  hg11 ) (resid  97  and name  hd#  )   2.325  0.930  0.930  ! rescaled by50.%
assign (resid  97  and name  hg12 ) (resid  97  and name  hd#  )   3.645  1.458  1.458  ! rescaled by50.%
assign (resid  97  and name  hn   ) (resid  97  and name  hg2# )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid  98  and name  ha   ) (resid  98  and name  hd#  )   2.775  1.110  1.110  ! rescaled by50.%
assign (resid  98  and name  hn   ) (resid  97  and name  hb   )   3.098  1.239  1.239  ! rescaled by50.%
assign (resid  98  and name  hn   ) (resid  98  and name  hd#  )   2.707  1.083  1.083  ! rescaled by50.%
assign (resid 102  and name  ha   ) (resid 102  and name  hb1  )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid 102  and name  ha   ) (resid 102  and name  hb2  )   2.827  1.131  1.131  ! rescaled by50.%
assign (resid 105  and name  ha   ) (resid 105  and name  hb   )   3.075  1.230  1.230  ! rescaled by50.%
assign (resid 105  and name  ha   ) (resid 105  and name  hg2# )   2.385  0.954  0.954  ! rescaled by50.%
assign (resid 105  and name  hb   ) (resid 105  and name  hd#  )   3.053  1.221  1.221  ! rescaled by50.%
assign (resid 105  and name  hb   ) (resid 105  and name  hg2# )   2.423  0.969  0.969  ! rescaled by50.%
assign (resid 105  and name  hg12 ) (resid 105  and name  cd   )   3.053  1.221  1.221  ! rescaled by50.%
assign (resid 105  and name  hg12 ) (resid 105  and name  hg2# )   3.570  1.428  1.428  ! rescaled by50.%
assign (resid 106  and name  ha   ) (resid 106  and name  hb1  )   2.947  1.179  1.179  ! rescaled by50.%
assign (resid 107  and name  ha   ) (resid 107  and name  hb1  )   3.098  1.239  1.239  ! rescaled by50.%
assign (resid 107  and name  ha   ) (resid 107  and name  hb2  )   3.300  1.320  1.320  ! rescaled by50.%
assign (resid 107  and name  hb1  ) (resid  31  and name  hb   )   2.872  1.149  1.149  ! rescaled by50.%
assign (resid 107  and name  hb2  ) (resid  31  and name  hb   )   3.105  1.242  1.242  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  31  and name  hb   )   3.233  1.293  1.293  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  33  and name  hd1# )   3.202  1.281  1.281  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  41  and name  hd2# )   3.503  1.401  1.401  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  78  and name  hd#  )   2.805  1.122  1.122  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  81  and name  hg1# )   2.970  1.188  1.188  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid  81  and name  hg1# )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid 107  and name  hd#  ) (resid 105  and name  hg2# )   2.595  1.038  1.038  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  33  and name  hb1  )   3.398  1.359  1.359  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  33  and name  hb2  )   3.383  1.353  1.353  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  33  and name  hd1# )   2.670  1.068  1.068  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  41  and name  hd1# )   2.505  1.002  1.002  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  41  and name  hd2# )   2.632  1.053  1.053  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid  43  and name  hd#  )   3.428  1.371  1.871  ! rescaled by50.% ! 0.5 added
assign (resid 107  and name  he#  ) (resid  78  and name  hd#  )   3.997  1.599  1.599  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid 105  and name  hg11 )   2.798  1.119  1.119  ! rescaled by50.%
assign (resid 107  and name  he#  ) (resid 105  and name  hg2# )   2.842  1.137  1.137  ! rescaled by50.%
assign (resid 108  and name  ha   ) (resid 108  and name  hb1  )   3.060  1.224  1.224  ! rescaled by50.%
assign (resid 108  and name  ha   ) (resid 108  and name  hb2  )   3.525  1.410  1.410  ! rescaled by50.%
assign (resid 109  and name  ha   ) (resid 109  and name  hb   )   2.760  1.104  1.104  ! rescaled by50.%
assign (resid 109  and name  ha   ) (resid 109  and name  hg1# )   2.850  1.140  1.140  ! rescaled by50.%
assign (resid 109  and name  ha   ) (resid 109  and name  hg2# )   2.483  0.993  0.993  ! rescaled by50.%
assign (resid 109  and name  hn   ) (resid 109  and name  ha   )   3.255  1.302  1.302  ! rescaled by50.%
assign (resid 109  and name  hn   ) (resid 109  and name  hg1# )   3.075  1.230  1.230  ! rescaled by50.%
assign (resid 110  and name  ha   ) (resid 110  and name  hb   )   2.872  1.149  1.149  ! rescaled by50.%
assign (resid 110  and name  ha   ) (resid 110  and name  hg1# )   2.767  1.107  1.107  ! rescaled by50.%
assign (resid 110  and name  hb   ) (resid 110  and name  hg1# )   2.385  0.954  0.954  ! rescaled by50.%
assign (resid 112  and name  ha   ) (resid 112  and name  hb   )   2.475  0.990  0.990  ! rescaled by50.%
assign (resid 112  and name  ha   ) (resid 112  and name  hg1# )   2.317  0.927  0.927  ! rescaled by50.%
assign (resid 114  and name  hb1  ) (resid 115  and name  hn   )   2.930  0.880  0.880 !!!!! INTERMOLECULAR NOEs
assign (resid 115  and name  ha   ) (resid 116  and name  he22 )   3.530  1.060  1.060
assign (resid 115  and name  ha   ) (resid 116  and name  he21 )   3.655  1.095  1.095
assign (resid 115  and name  ha   ) (resid 116  and name  hn   )   3.385  1.015  1.015
assign (resid 115  and name  hb   ) (resid 115  and name  hn   )   2.430  0.730  0.730
assign (resid 115  and name  hg2# ) (resid 115  and name  hn   )   2.515  0.755  0.755
assign (resid 116  and name  hg#  ) (resid 116  and name  he22 )   2.700  0.810  0.810
assign (resid 116  and name  hg#  ) (resid 116  and name  he21 )   2.700  0.810  0.810
assign (resid 117  and name  hb1  ) (resid 117  and name  hb2  )   1.780  0.530  0.530
!assign (resid 118  and name  hg2# ) (resid 116  and name  he22 )   3.885  1.165  1.165
assign (resid 118  and name  hg2# ) (resid 118  and name  hn   )   3.385  1.015  1.015
assign (resid 118  and name  hg2# ) (resid 119  and name  hn   )   2.860  0.860  0.860
!assign (resid 119  and name  ha   ) (resid 116  and name  he22 )   2.955  0.885  0.885
!assign (resid 119  and name  ha   ) (resid 116  and name  he21 )   2.945  0.885  0.885
assign (resid 119  and name  ha   ) (resid 120  and name  hn   )   2.515  1.955  1.955
assign (resid 119  and name  hb1  ) (resid 119  and name  hn   )   3.210  0.960  0.960
assign (resid 119  and name  hb2  ) (resid 119  and name  hn   )   2.985  0.895  0.895
assign (resid 119  and name  hg#  ) (resid 119  and name  hn   )   3.010  0.900  0.900
assign (resid 120  and name  ha   ) (resid 120  and name  hn   )   2.925  0.875  0.875
assign (resid 120  and name  hb#  ) (resid  42  and name  hn   )   3.615  1.085  1.746 ! 10% added
assign (resid 120  and name  hb#  ) (resid  43  and name  hn   )   3.175  0.955  1.455 ! 0.5 added
assign (resid 120  and name  hb#  ) (resid 120  and name  hn   )   2.470  0.740  0.740
assign (resid 120  and name  hd1# ) (resid  45  and name  hn   )   3.460  1.040  1.386 ! 10 % added
assign (resid 120  and name  hd1# ) (resid 118  and name  hn   )   3.660  1.100  1.600 !0.5 added
assign (resid 120  and name  hd1# ) (resid 119  and name  hd#  )   3.395  1.015  1.015
assign (resid 120  and name  hd1# ) (resid 119  and name  hn   )   4.720  1.420  1.420
assign (resid 120  and name  hd1# ) (resid 120  and name  hn   )   3.145  0.945  0.945
assign (resid 120  and name  hd2# ) (resid  43  and name  hn   )   3.070  0.920  1.227 ! 10% added
!!!!!!!assign (resid 120  and name  hd2# ) (resid  47  and name  hn   )   3.470  1.040  1.040
assign (resid 120  and name  hd2# ) (resid  98  and name  hn   )   3.585  1.075  2.533 ! 10% added 05 added
!assign (resid 120  and name  hd2# ) (resid 103  and name  hn   )   3.025  0.905  2.208 ! 1 A % added
!assign (resid 120  and name  hd2# ) (resid 116  and name  he22 )   3.415  1.025  1.025
!assign (resid 120  and name  hd2# ) (resid 117  and name  hb1  )   3.225  0.965  0.965
!assign (resid 120  and name  hd2# ) (resid 117  and name  hb2  )   3.300  0.990  0.990
!assign (resid 120  and name  hd2# ) (resid 118  and name  hn   )   3.855  1.155  1.155
!assign (resid 120  and name  hd2# ) (resid 119  and name  hn   )   2.775  0.835  0.835
assign (resid 119  and name  ha   ) (resid  44  and name  ha   )   3.285  0.985  1.313 ! 10% added
assign (resid 120  and name  hb#  ) (resid  44  and name  ha   )   3.045  0.915  1.619 ! 10% added 0.4 added
!assign (resid 120  and name  hd#  ) (resid  92  and name  hd#  )   3.400  1.020  1.360  ! 10% added
assign (resid 120  and name  hd#  ) (resid  98  and name  hb1  )   3.605  1.085  1.445 ! 10% added
!assign (resid 120  and name  hd#  ) (resid 102  and name  hb1  )   4.280  1.280  1.708 ! 10% added
assign (resid 120  and name  hd1# ) (resid  43  and name  hb   )   3.640  1.090  1.454 ! 10% added
assign (resid 120  and name  hd1# ) (resid  44  and name  ha   )   3.925  1.175  1.567 ! 10% added
assign (resid 120  and name  hd1# ) (resid  95  and name  ha   )   2.670  0.800  1.667 ! 10% added 0.6 added
assign (resid  41  and name  hb1  ) (resid 120  and name  hb#  )   3.000  0.900  1.200 ! 10% added
assign (resid  41  and name  hd2# ) (resid 120  and name  hb#  )   2.795  0.835  1.114 ! 10% added
assign (resid  43  and name  hg12 ) (resid 120  and name  hb#  )   3.200  0.960  1.280 ! 10% added
assign (resid  45  and name  hd#  ) (resid 120  and name  hb#  )   3.640  1.090  1.453 ! 10% added
assign (resid  46  and name  hg2# ) (resid 117  and name  hb1  )   3.770  1.130  1.507 ! 10% added
assign (resid  46  and name  hg2# ) (resid 117  and name  hb2  )   3.605  1.085  1.415 ! 10% added
assign (resid  98  and name  hd1# ) (resid 120  and name  hb#  )   2.345  0.705  0.939  ! 10% added
!assign (resid 116  and name  ha   ) (resid 116  and name  hg#  )   1.755  0.525  1.525 ! 0.5 added check
!assign (resid 117  and name  hb2  ) (resid 117  and name  hb1  )   1.780  0.530  0.530
!assign (resid 119  and name  he#  ) (resid 119  and name  hb1  )   1.720  0.520  0.520
!assign (resid 119  and name  he#  ) (resid 119  and name  hb2  )   1.745  0.525  0.525
!assign (resid 119  and name  he#  ) (resid 119  and name  hg#  )   1.475  0.445  0.445
assign (resid 118  and name  hg2# ) (resid  45  and name  hd#  )   2.545  0.765  1.019 ! 10% added
assign (resid 118  and name  hg2# ) (resid  45  and name  hg11 )   3.430  1.030  1.373  ! 10% added
assign (resid 118  and name  hg2# ) (resid  45  and name  hg2# )   3.970  1.190  1.487  ! 10% added 
assign (resid 118  and name  hg2# ) (resid  95  and name  hg1# )   2.095  0.625  0.834  ! 10% added
assign (resid 118  and name  hg2# ) (resid  95  and name  hg2# )   2.260  0.680  0.906 ! 10% added 
assign (resid 118  and name  hg2# ) (resid  98  and name  hd1# )   1.970  0.590  0.787 ! 10% added
assign (resid 118  and name  hg2# ) (resid  98  and name  hd2# )   1.915  0.575  0.688 ! 10% added
assign (resid  41  and name  ha   ) (resid 120  and name  hb#  )   3.125  0.935  1.247 ! 10% added
assign (resid 120  and name  ha   ) (resid  98  and name  hd#  )   3.00   2.000  1.000
assign (resid 118  and name  hb   ) (resid  45  and name  hd#  )   3.00   2.000  0.500
!assign (resid 108  and name  hn   ) (resid 80  and name  hn   )   2.465  0.735  0.735
!assign (resid 57  and name  hn   ) (resid 56  and name  hn   )   2.030  0.610  0.610
!assign (resid 86  and name  hn   ) (resid 87  and name  hn   )   2.125  0.635  0.635
!assign (resid 105  and name  hn   ) (resid 104  and name  hn   )   2.685  0.805  0.805
!assign (resid 109  and name  hn   ) (resid 108  and name  hn   )   2.545  0.765  0.765
!assign (resid 58  and name  hn   ) (resid 57  and name  hn   )   2.800  0.840  0.840
!assign (resid 31  and name  hn   ) (resid 32  and name  hn   )   2.840  0.850  0.850
!assign (resid 53  and name  ha   ) (resid 91  and name  hn   )   2.900  0.290  0.290
!assign (resid 63  and name  ha1  ) (resid 66  and name  hn   )   3.780  1.130  1.130
!assign (resid 105  and name  hg2# ) (resid 72  and name  hn   )   3.145  0.315  0.315
!assign (resid 62  and name  ha   ) (resid 61  and name  hd2  )   3.120  0.310  1.521 ! 30% added upper
!assign (resid 90  and name  ha   ) (resid 91  and name  hd2  )   3.230  0.320  0.920  ! 20% added
!assign (resid  43  and name  hb   ) (resid  98  and name  hd#  )   2.055  0.822  0.822  ! rescaled by50.%
!assign (resid  84  and name  ha   ) (resid  45  and name  hd#  )   2.880  1.152  1.152  ! rescaled by50.%
!assign (resid  97  and name  ha   ) (resid  57  and name  hg2# )   2.415  0.966  0.966  ! rescaled by50.%
!assign (resid  34  and name  cb   ) (resid  34  and name  hb#  )   2.798  1.119  1.119  ! rescaled by50.%
!assign (resid  81  and name  cg2  ) (resid  81  and name  hg2# )   2.400  0.960  0.960  ! rescaled by50.%
!assign (resid  97  and name  hb   ) (resid  97  and name  hd#  )   0.855  0.570  0.570  ! rescaled by50.

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
  Start of MODEL    2
  Start of MODEL    3
  Start of MODEL    4
  Start of MODEL    5
  Start of MODEL    6
  Start of MODEL    7