NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord in_dress stage position program type subtype subsubtype
2109 1bf0 cing recoord dress 1-original 1 XPLOR/CNS distance NOE ambi


! peak number d 442  F1=  4.168  F2=  3.435   null   null  d=  2.9
assi (( resid  1 and name HA))
     (( resid  1 and name HB2))
             2.9 1.29 1.29
! peak number d 443  F1=  4.155  F2=  3.221   null   null  d=  3.1
assi (( resid  1 and name HA))
     (( resid  1 and name HB3))
             3.1 0.77 0.77
! peak number d 988  F1=  1.062  F2=  3.235   null   null  d=  4.5
assi (( resid  1 and name HB3))
     (( resid  60 and name HG*))
             4.5 1.13 1.13
! peak number d 1109  F1=  3.888  F2=  7.254   null   null  d=  3.9
assi (( resid  1 and name HD1))
     (( resid  4 and name HD2))
             3.9 0.96 0.96
! peak number d 753  F1=  7.248  F2=  3.687   null   null  d=  3.6
assi (( resid  1 and name HD1))
     (( resid  4 and name HD3))
             3.6 0.90 0.90
! peak number d 764  F1=  7.249  F2=  4.946   null   null  d=  3.6
assi (( resid  1 and name HD1))
     (( resid  57 and name HA))
             3.6 0.90 0.90
! peak number h 288  F1=  7.250  F2=  9.939   null   null  d=  2.6
assi (( resid  1 and name HE1))
     (( resid  1 and name HD1))
             2.6 0.65 0.65
! peak number h 248  F1=  7.260  F2=  6.921   null   null  d=  2.4
assi (( resid  1 and name HE3))
     (( resid  1 and name HZ3))
             2.4 0.60 0.60
! peak number d 1023  F1=  7.240  F2=  4.549   null   null  d=  4.0
assi (( resid  1 and name HE3))
     (( resid  58 and name HA))
             4.0 1.00 1.00
! peak number d 773  F1=  7.238  F2=  4.177   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HA))
             3.5 0.88 0.88
! peak number d 134  F1=  7.240  F2=  3.436   null   null  d=  3.2
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HB2))
             3.2 0.81 0.81
! peak number d 146  F1=  7.237  F2=  3.219   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  1 and name HB3))
             3.5 0.88 0.88
! peak number d 125  F1=  7.250  F2=  4.105   null   null  d=  3.3
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  3 and name HA))
             3.3 0.84 0.84
! peak number d 242  F1=  4.151  F2=  7.252   null   null  d=  3.4
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  56 and name HA) or ( resid 1 and name HA))
             3.4 0.85 0.85
! peak number d 1403  F1=  3.025  F2=  7.229   null   null  d=  4.1
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  59 and name HA1))
             4.1 1.02 1.02
! peak number d 162  F1=  7.241  F2=  2.479   null   null  d=  3.5
assi (( resid  1 and name HE3) or ( resid 1 and name HD1))
     (( resid  59 and name HA2))
             3.5 0.88 0.88
! peak number h 1071  F1=  1.790  F2=  6.909   null   null  d=  4.5
assi (( resid  1 and name HH2))
     (( resid  3 and name HB3))
             4.5 1.90 1.90
! peak number d 1242  F1=  6.940  F2=  3.226   null   null  d=  4.1
assi (( resid  1 and name HH2))
     (( resid  30 and name HA) or ( resid 1 and name HB3))
             4.1 1.02 1.02
! peak number d 289  F1=  2.471  F2=  6.931   null   null  d=  3.2
assi (( resid  1 and name HH2))
     (( resid  30 and name HE3) or ( resid 3 and name HB2))
             3.2 0.80 0.80
! peak number d 544  F1=  7.380  F2=  6.944   null   null  d=  2.5
assi (( resid  1 and name HZ2))
     (( resid  1 and name HH2))
             2.5 0.63 0.63
! peak number d 751  F1=  7.380  F2=  3.428   null   null  d=  5.0
assi (( resid  1 and name HZ2))
     (( resid  27 and name HB2) or ( resid 1 and name HB2))
             5.0 2.60 2.60
! peak number d 1110  F1=  3.873  F2=  7.371   null   null  d=  2.8
assi (( resid  1 and name HZ2))
     (( resid  4 and name HD2))
             2.8 0.70 0.70
! peak number d 769  F1=  6.915  F2=  4.111   null   null  d=  3.5
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  3 and name HA))
             3.5 0.86 0.86
! peak number d 742  F1=  6.924  F2=  2.203   null   null  d=  3.3
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  3 and name HG2))
             3.3 0.82 0.82
! peak number d 163  F1=  6.920  F2=  2.481   null   null  d=  3.1
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  30 and name HE3) or ( resid 3 and name HB2))
             3.1 0.78 0.78
! peak number d 934  F1=  6.916  F2=  4.937   null   null  d=  3.8
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  57 and name HA))
             3.8 0.95 0.95
! peak number h 851  F1=  6.925  F2=  1.441   null   null  d=  3.6
assi (( resid  1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  58 and name HG))
             3.6 0.90 0.90
! peak number d 400  F1=  4.645  F2=  2.343   null   null  d=  2.5
assi (( resid  10 and name HA))
     (( resid  10 and name HB*))
             2.5 0.62 0.62
! peak number d 343  F1=  1.913  F2=  4.656   null   null  d=  3.0
assi (( resid  10 and name HA))
     (( resid  10 and name HG3))
             3.0 0.80 0.80
! peak number d 460  F1=  3.797  F2=  2.138   null   null  d=  2.9
assi (( resid  10 and name HD2))
     (( resid  10 and name HG2))
             2.9 0.72 0.72
! peak number d 466  F1=  3.796  F2=  1.886   null   null  d=  2.8
assi (( resid  10 and name HD2))
     (( resid  10 and name HG3))
             2.8 0.70 0.70
! peak number d 454  F1=  3.802  F2=  2.252   null   null  d=  3.6
assi (( resid  10 and name HD2))
     (( resid  9 and name HG2))
             3.6 0.91 0.91
! peak number h 1002  F1=  3.686  F2=  2.123   null   null  d=  3.4
assi (( resid  10 and name HD3))
     (( resid  10 and name HG2))
             3.4 0.84 0.84
! peak number d 523  F1=  2.248  F2=  3.688   null   null  d=  2.7
assi (( resid  10 and name HD3))
     (( resid  9 and name HG2))
             2.7 0.68 0.68
! peak number d 376  F1=  3.895  F2=  0.451   null   null  d=  2.7
assi (( resid  11 and name HA))
     (( resid  11 and name HB))
             2.7 0.68 0.68
! peak number d 372  F1=  0.319  F2=  3.904   null   null  d=  3.5
assi (( resid  11 and name HA))
     (( resid  11 and name HG1*))
             3.5 0.88 0.88
! peak number d 369  F1=  -0.729  F2=  3.907   null   null  d=  2.6
assi (( resid  11 and name HA))
     (( resid  11 and name HG2*))
             2.6 0.65 0.65
! peak number d 696  F1=  -0.725  F2=  0.448   null   null  d=  2.4
assi (( resid  11 and name HB))
     (( resid  11 and name HG2*))
             2.4 0.60 0.60
! peak number d 695  F1=  -0.725  F2=  0.324   null   null  d=  2.4
assi (( resid  11 and name HG1*))
     (( resid  11 and name HG2*))
             2.4 0.60 0.60
! peak number h 826  F1=  7.704  F2=  2.340   null   null  d=  4.5
assi (( resid  11 and name HN))
     (( resid  10 and name HB*))
             4.5 1.13 1.13
! peak number h 390  F1=  0.449  F2=  7.705   null   null  d=  2.7
assi (( resid  11 and name HN))
     (( resid  11 and name HB))
             2.7 0.68 0.68
! peak number h 391  F1=  0.322  F2=  7.703   null   null  d=  2.5
assi (( resid  11 and name HN))
     (( resid  11 and name HG1*))
             2.5 0.62 0.62
! peak number d 1090  F1=  4.677  F2=  0.325   null   null  d=  3.6
assi (( resid  12 and name HA))
     (( resid  11 and name HG1*))
             3.6 0.90 0.90
! peak number d 1088  F1=  4.695  F2=  -0.714   null   null  d=  4.0
assi (( resid  12 and name HA))
     (( resid  11 and name HG2*))
             4.0 1.00 1.00
! peak number d 344  F1=  1.841  F2=  4.703   null   null  d=  2.9
assi (( resid  12 and name HA))
     (( resid  12 and name HB2))
             2.9 0.71 0.71
! peak number d 367  F1=  1.502  F2=  4.697   null   null  d=  3.2
assi (( resid  12 and name HA))
     (( resid  12 and name HB3))
             3.2 0.80 0.80
! peak number d 339  F1=  3.194  F2=  4.699   null   null  d=  2.6
assi (( resid  12 and name HA))
     (( resid  12 and name HD*))
             2.6 0.66 0.66
! peak number d 366  F1=  1.598  F2=  4.677   null   null  d=  2.4
assi (( resid  12 and name HA))
     (( resid  12 and name HG3))
             2.4 0.60 0.60
! peak number d 1350  F1=  1.828  F2=  -0.720   null   null  d=  3.8
assi (( resid  12 and name HB2))
     (( resid  11 and name HG2*))
             3.8 0.95 0.95
! peak number d 1119  F1=  3.185  F2=  1.636   null   null  d=  2.5
assi (( resid  12 and name HD*))
     (( resid  12 and name HG2))
             2.5 0.62 0.62
! peak number h 488  F1=  7.173  F2=  3.191   null   null  d=  3.5
assi (( resid  12 and name HE))
     (( resid  12 and name HD*))
             3.5 0.86 0.86
! peak number h 1074  F1=  7.170  F2=  1.613   null   null  d=  4.5
assi (( resid  12 and name HE))
     (( resid  12 and name HG3))
             4.5 1.13 1.13
! peak number h 131  F1=  7.759  F2=  3.902   null   null  d=  2.3
assi (( resid  12 and name HN))
     (( resid  11 and name HA))
             2.3 0.57 0.57
! peak number h 308  F1=  7.750  F2=  -0.724   null   null  d=  2.8
assi (( resid  12 and name HN))
     (( resid  11 and name HG2*))
             2.8 0.70 0.70
! peak number h 844  F1=  7.753  F2=  1.843   null   null  d=  3.3
assi (( resid  12 and name HN))
     (( resid  12 and name HB2))
             3.3 0.84 0.84
! peak number h 658  F1=  7.750  F2=  1.525   null   null  d=  3.3
assi (( resid  12 and name HN))
     (( resid  12 and name HB3))
             3.3 0.84 0.84
! peak number d 419  F1=  4.262  F2=  1.561   null   null  d=  2.5
assi (( resid  13 and name HA))
     (( resid  13 and name HG1*))
             2.5 0.62 0.62
! peak number h 1045  F1=  8.727  F2=  -0.729   null   null  d=  4.0
assi (( resid  13 and name HN))
     (( resid  11 and name HG2*))
             4.0 1.00 1.00
! peak number h 429  F1=  8.733  F2=  4.697   null   null  d=  2.1
assi (( resid  13 and name HN))
     (( resid  12 and name HA))
             2.1 0.53 0.53
! peak number h 1083  F1=  8.726  F2=  3.189   null   null  d=  4.6
assi (( resid  13 and name HN))
     (( resid  12 and name HD*))
             4.6 1.15 1.15
! peak number h 28  F1=  8.728  F2=  4.263   null   null  d=  3.1
assi (( resid  13 and name HN))
     (( resid  13 and name HA))
             3.1 0.78 0.78
! peak number h 37  F1=  8.732  F2=  2.041   null   null  d=  2.5
assi (( resid  13 and name HN))
     (( resid  13 and name HB))
             2.5 0.62 0.62
! peak number h 838  F1=  8.732  F2=  1.071   null   null  d=  4.3
assi (( resid  13 and name HN))
     (( resid  13 and name HD1*))
             4.3 1.30 1.30
! peak number h 41  F1=  8.728  F2=  1.558   null   null  d=  3.0
assi (( resid  13 and name HN))
     (( resid  13 and name HG1*))
             3.0 0.76 0.76
! peak number h 452  F1=  8.730  F2=  1.299   null   null  d=  3.6
assi (( resid  13 and name HN))
     (( resid  13 and name HG2*))
             3.6 1.00 1.00
! peak number h 763  F1=  8.603  F2=  8.735   null   null  d=  2.3
assi (( resid  13 and name HN))
     (( resid  14 and name HN))
             2.3 0.57 0.57
! peak number d 2  F1=  5.260  F2=  3.929   null   null  d=  2.2
assi (( resid  14 and name HA1))
     (( resid  14 and name HA2))
             2.2 0.75 0.75
! peak number d 1060  F1=  5.264  F2=  4.086   null   null  d=  3.5
assi (( resid  14 and name HA1))
     (( resid  41 and name HA1))
             3.5 0.88 0.88
! peak number h 38  F1=  8.598  F2=  2.030   null   null  d=  3.1
assi (( resid  14 and name HN))
     (( resid  13 and name HB))
             3.1 0.79 0.79
! peak number h 438  F1=  8.598  F2=  5.254   null   null  d=  3.3
assi (( resid  14 and name HN))
     (( resid  14 and name HA1))
             3.3 0.82 0.82
! peak number h 518  F1=  3.925  F2=  8.599   null   null  d=  2.7
assi (( resid  14 and name HN))
     (( resid  14 and name HA2))
             2.7 0.69 0.69
! peak number h 796  F1=  8.600  F2=  4.266   null   null  d=  3.4
assi (( resid  14 and name HN))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             3.4 0.85 0.85
! peak number d 1394  F1=  4.063  F2=  3.818   null   null  d=  1.8
assi (( resid  15 and name HB2))
     (( resid  15 and name HB3))
             1.8 0.45 0.45
! peak number h 201  F1=  7.320  F2=  5.271   null   null  d=  2.9
assi (( resid  15 and name HN))
     (( resid  14 and name HA1))
             2.9 0.72 0.72
! peak number h 753  F1=  3.926  F2=  7.324   null   null  d=  3.5
assi (( resid  15 and name HN))
     (( resid  14 and name HA2))
             3.5 0.89 0.89
! peak number d 30  F1=  4.836  F2=  2.609   null   null  d=  3.3
assi (( resid  16 and name HA))
     (( resid  16 and name HB3))
             3.3 0.82 0.82
! peak number d 1086  F1=  4.833  F2=  1.416   null   null  d=  3.9
assi (( resid  16 and name HA))
     (( resid  17 and name HG3))
             3.9 0.97 0.97
! peak number d 593  F1=  3.442  F2=  2.616   null   null  d=  1.8
assi (( resid  16 and name HB2))
     (( resid  16 and name HB3))
             1.8 0.45 0.45
! peak number h 212  F1=  8.044  F2=  7.310   null   null  d=  3.0
assi (( resid  16 and name HN))
     (( resid  15 and name HN))
             3.0 0.76 0.76
! peak number h 444  F1=  8.042  F2=  4.836   null   null  d=  3.0
assi (( resid  16 and name HN))
     (( resid  16 and name HA))
             3.0 0.75 0.75
! peak number h 347  F1=  2.615  F2=  8.038   null   null  d=  2.8
assi (( resid  16 and name HN))
     (( resid  16 and name HB3))
             2.8 0.70 0.70
! peak number h 83  F1=  8.040  F2=  3.820   null   null  d=  3.1
assi (( resid  16 and name HN))
     (( resid  38 and name HB2))
             3.1 0.78 0.78
! peak number d 401  F1=  4.633  F2=  2.125   null   null  d=  2.5
assi (( resid  17 and name HA))
     (( resid  17 and name HD*))
             2.5 0.62 0.62
! peak number d 1085  F1=  4.638  F2=  1.415   null   null  d=  3.2
assi (( resid  17 and name HA))
     (( resid  17 and name HG3))
             3.2 0.80 0.80
! peak number d 1065  F1=  4.645  F2=  3.819   null   null  d=  2.8
assi (( resid  17 and name HA) or ( resid 10 and name HA))
     (( resid  38 and name HB2) or ( resid 10 and name HD2))
             2.8 0.70 0.70
! peak number d 1122  F1=  2.949  F2=  1.597   null   null  d=  2.7
assi (( resid  17 and name HE*))
     (( resid  17 and name HB*))
             2.7 0.68 0.68
! peak number h 436  F1=  8.492  F2=  4.847   null   null  d=  2.7
assi (( resid  17 and name HN))
     (( resid  16 and name HA))
             2.7 0.68 0.68
! peak number h 326  F1=  3.464  F2=  8.478   null   null  d=  2.5
assi (( resid  17 and name HN))
     (( resid  16 and name HB2))
             2.5 0.61 0.61
! peak number h 455  F1=  8.483  F2=  2.608   null   null  d=  3.1
assi (( resid  17 and name HN))
     (( resid  16 and name HB3))
             3.1 0.79 0.79
! peak number h 631  F1=  8.478  F2=  4.635   null   null  d=  3.0
assi (( resid  17 and name HN))
     (( resid  17 and name HA))
             3.0 0.75 0.75
! peak number h 54  F1=  8.484  F2=  1.588   null   null  d=  2.7
assi (( resid  17 and name HN))
     (( resid  17 and name HB*))
             2.7 0.68 0.68
! peak number h 840  F1=  8.477  F2=  2.108   null   null  d=  3.8
assi (( resid  17 and name HN))
     (( resid  17 and name HD*))
             3.8 1.00 1.00
! peak number h 449  F1=  8.478  F2=  1.290   null   null  d=  3.8
assi (( resid  17 and name HN))
     (( resid  17 and name HG2))
             3.8 1.60 1.60
! peak number h 650  F1=  8.478  F2=  1.397   null   null  d=  3.4
assi (( resid  17 and name HN))
     (( resid  17 and name HG3))
             3.4 0.85 0.85
! peak number h 219  F1=  8.485  F2=  7.784   null   null  d=  3.0
assi (( resid  17 and name HN))
     (( resid  18 and name HN))
             3.0 0.74 0.74
! peak number d 1369  F1=  2.962  F2=  1.425   null   null  d=  3.5
assi (( resid  18 and name HE*) or ( resid 17 and name HE*))
     (( resid  18 and name HG3) or ( resid 17 and name HG3))
             3.5 0.88 0.88
! peak number h 823  F1=  7.790  F2=  4.348   null   null  d=  3.4
assi (( resid  18 and name HN))
     (( resid  18 and name HA))
             3.4 0.85 0.85
! peak number h 464  F1=  7.786  F2=  1.394   null   null  d=  2.9
assi (( resid  18 and name HN))
     (( resid  18 and name HB*))
             2.9 0.72 0.72
! peak number h 845  F1=  7.785  F2=  1.288   null   null  d=  3.4
assi (( resid  18 and name HN))
     (( resid  18 and name HG2) or ( resid 17 and name HG2))
             3.4 0.85 0.85
! peak number h 824  F1=  7.787  F2=  4.474   null   null  d=  3.1
assi (( resid  18 and name HN))
     (( resid  38 and name HA))
             3.1 0.78 0.78
! peak number d 411  F1=  4.245  F2=  1.698   null   null  d=  2.6
assi (( resid  19 and name HA))
     (( resid  19 and name HB3))
             2.6 0.65 0.65
! peak number d 382  F1=  4.246  F2=  0.956   null   null  d=  3.2
assi (( resid  19 and name HA))
     (( resid  36 and name HB3))
             3.2 0.81 0.81
! peak number d 1082  F1=  4.261  F2=  1.078   null   null  d=  4.0
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  13 and name HD1*))
             4.0 1.00 1.00
! peak number d 408  F1=  4.258  F2=  1.309   null   null  d=  2.5
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  13 and name HG2*))
             2.5 0.62 0.62
! peak number d 657  F1=  1.298  F2=  4.267   null   null  d=  2.7
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  18 and name HG2) or ( resid 13 and name HG2*))
             2.7 0.68 0.68
! peak number d 394  F1=  4.251  F2=  2.059   null   null  d=  2.6
assi (( resid  19 and name HA) or ( resid 13 and name HA))
     (( resid  19 and name HG3) or ( resid 13 and name HB))
             2.6 0.65 0.65
! peak number d 893  F1=  1.074  F2=  1.823   null   null  d=  2.1
assi (( resid  19 and name HB2))
     (( resid  13 and name HD1*))
             2.1 0.53 0.53
! peak number d 981  F1=  0.831  F2=  1.837   null   null  d=  2.4
assi (( resid  19 and name HB2))
     (( resid  36 and name HD1*))
             2.4 0.60 0.60
! peak number d 837  F1=  1.830  F2=  0.682   null   null  d=  3.3
assi (( resid  19 and name HB2))
     (( resid  36 and name HD2*))
             3.3 0.82 0.82
! peak number h 229  F1=  7.411  F2=  6.683   null   null  d=  1.9
assi (( resid  19 and name HE22))
     (( resid  19 and name HE21))
             1.9 0.46 0.46
! peak number h 696  F1=  7.410  F2=  2.066   null   null  d=  4.8
assi (( resid  19 and name HE22))
     (( resid  19 and name HG3))
             4.8 1.20 1.20
! peak number d 974  F1=  0.798  F2=  2.067   null   null  d=  3.4
assi (( resid  19 and name HG3))
     (( resid  36 and name HD1*))
             3.4 0.85 0.85
! peak number d 1354  F1=  0.684  F2=  2.077   null   null  d=  3.6
assi (( resid  19 and name HG3) or ( resid 19 and name HG2))
     (( resid  36 and name HD2*))
             3.6 0.90 0.90
! peak number h 136  F1=  7.612  F2=  4.342   null   null  d=  2.7
assi (( resid  19 and name HN))
     (( resid  18 and name HA))
             2.7 0.68 0.68
! peak number h 568  F1=  1.380  F2=  7.607   null   null  d=  3.3
assi (( resid  19 and name HN))
     (( resid  18 and name HB*))
             3.3 0.82 0.82
! peak number h 57  F1=  7.620  F2=  1.260   null   null  d=  2.5
assi (( resid  19 and name HN))
     (( resid  18 and name HG2))
             2.5 0.62 0.62
! peak number h 135  F1=  7.613  F2=  4.246   null   null  d=  3.6
assi (( resid  19 and name HN))
     (( resid  19 and name HA))
             3.6 0.90 0.90
! peak number h 47  F1=  7.609  F2=  1.821   null   null  d=  2.9
assi (( resid  19 and name HN))
     (( resid  19 and name HB2))
             2.9 0.72 0.72
! peak number h 1079  F1=  1.692  F2=  7.606   null   null  d=  4.3
assi (( resid  19 and name HN))
     (( resid  19 and name HB3))
             4.3 1.09 1.09
! peak number d 410  F1=  4.324  F2=  1.808   null   null  d=  2.8
assi (( resid  2 and name HA))
     (( resid  2 and name HB2))
             2.8 0.70 0.70
! peak number d 396  F1=  4.324  F2=  2.178   null   null  d=  3.4
assi (( resid  2 and name HA))
     (( resid  2 and name HG*))
             3.4 1.00 1.00
! peak number d 437  F1=  4.323  F2=  3.506   null   null  d=  2.4
assi (( resid  2 and name HA))
     (( resid  3 and name HD2))
             2.4 0.60 0.60
! peak number d 436  F1=  4.323  F2=  3.363   null   null  d=  2.7
assi (( resid  2 and name HA))
     (( resid  3 and name HD3))
             2.7 0.94 0.94
! peak number d 1075  F1=  4.323  F2=  2.036   null   null  d=  3.7
assi (( resid  2 and name HA))
     (( resid  3 and name HG3))
             3.7 0.93 0.93
! peak number h 230  F1=  7.690  F2=  6.897   null   null  d=  1.9
assi (( resid  2 and name HE21))
     (( resid  2 and name HE22))
             1.9 0.46 0.46
! peak number h 137  F1=  7.296  F2=  4.166   null   null  d=  2.9
assi (( resid  2 and name HN))
     (( resid  1 and name HA))
             2.9 0.71 0.71
! peak number h 504  F1=  7.297  F2=  4.333   null   null  d=  3.9
assi (( resid  2 and name HN))
     (( resid  2 and name HA))
             3.9 0.97 0.97
! peak number h 926  F1=  1.809  F2=  7.315   null   null  d=  3.6
assi (( resid  2 and name HN))
     (( resid  2 and name HB2))
             3.6 0.90 0.90
! peak number d 18  F1=  4.881  F2=  3.161   null   null  d=  2.4
assi (( resid  20 and name HA))
     (( resid  20 and name HB2))
             2.4 0.59 0.59
! peak number d 338  F1=  2.897  F2=  4.898   null   null  d=  3.0
assi (( resid  20 and name HA))
     (( resid  20 and name HB3))
             3.0 0.76 0.76
! peak number d 113  F1=  7.085  F2=  4.886   null   null  d=  3.0
assi (( resid  20 and name HD*))
     (( resid  20 and name HA))
             3.0 0.75 0.75
! peak number d 147  F1=  7.086  F2=  3.168   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  20 and name HB2))
             3.6 0.89 0.89
! peak number d 763  F1=  7.088  F2=  4.535   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  39 and name HA1))
             3.6 0.90 0.90
! peak number d 151  F1=  7.086  F2=  3.044   null   null  d=  3.6
assi (( resid  20 and name HD*))
     (( resid  39 and name HA2))
             3.6 1.20 1.20
! peak number h 579  F1=  1.377  F2=  7.305   null   null  d=  3.3
assi (( resid  20 and name HE*))
     (( resid  18 and name HB*))
             3.3 0.82 0.82
! peak number d 71  F1=  7.293  F2=  1.620   null   null  d=  3.0
assi (( resid  20 and name HE*))
     (( resid  18 and name HD*) or ( resid 17 and name HB*))
             3.0 0.75 0.75
! peak number d 304  F1=  1.283  F2=  7.321   null   null  d=  2.7
assi (( resid  20 and name HE*))
     (( resid  18 and name HG2))
             2.7 0.69 0.69
! peak number h 894  F1=  1.423  F2=  7.302   null   null  d=  3.3
assi (( resid  20 and name HE*))
     (( resid  18 and name HG3))
             3.3 0.82 0.82
! peak number d 108  F1=  7.298  F2=  1.404   null   null  d=  2.9
assi (( resid  20 and name HE*))
     (( resid  18 and name HG3) or ( resid 18 and name HB*))
             2.9 0.73 0.73
! peak number h 246  F1=  7.097  F2=  7.296   null   null  d=  1.9
assi (( resid  20 and name HE*))
     (( resid  20 and name HD*))
             1.9 0.47 0.47
! peak number d 119  F1=  7.296  F2=  4.529   null   null  d=  3.2
assi (( resid  20 and name HE*))
     (( resid  39 and name HA1))
             3.2 0.79 0.79
! peak number d 1032  F1=  7.297  F2=  3.060   null   null  d=  3.4
assi (( resid  20 and name HE*))
     (( resid  39 and name HA2))
             3.4 0.84 0.84
! peak number h 140  F1=  7.304  F2=  1.586   null   null  d=  2.9
assi (( resid  20 and name HE*) or ( resid 2 and name HN))
     (( resid  2 and name HB3) or ( resid 17 and name HB*))
             2.9 0.71 0.71
! peak number h 29  F1=  8.937  F2=  4.245   null   null  d=  2.8
assi (( resid  20 and name HN))
     (( resid  19 and name HA))
             2.8 0.80 0.80
! peak number h 426  F1=  8.933  F2=  4.878   null   null  d=  3.1
assi (( resid  20 and name HN))
     (( resid  20 and name HA))
             3.1 0.78 0.78
! peak number h 706  F1=  3.172  F2=  8.931   null   null  d=  3.7
assi (( resid  20 and name HN))
     (( resid  20 and name HB2))
             3.7 0.93 0.93
! peak number h 19  F1=  8.937  F2=  2.890   null   null  d=  2.8
assi (( resid  20 and name HN))
     (( resid  20 and name HB3))
             2.8 0.70 0.70
! peak number h 622  F1=  7.095  F2=  8.931   null   null  d=  3.8
assi (( resid  20 and name HN))
     (( resid  20 and name HD*))
             3.8 0.96 0.96
! peak number h 511  F1=  8.157  F2=  8.934   null   null  d=  3.2
assi (( resid  20 and name HN))
     (( resid  37 and name HN))
             3.2 0.81 0.81
! peak number d 847  F1=  4.269  F2=  3.988   null   null  d=  2.7
assi (( resid  21 and name HA))
     (( resid  21 and name HB3))
             2.7 0.66 0.66
! peak number d 378  F1=  4.270  F2=  0.680   null   null  d=  2.6
assi (( resid  21 and name HA))
     (( resid  36 and name HD2*))
             2.6 0.65 0.65
! peak number d 1002  F1=  3.860  F2=  0.680   null   null  d=  3.9
assi (( resid  21 and name HB2))
     (( resid  36 and name HD2*))
             3.9 0.97 0.97
! peak number h 415  F1=  9.173  F2=  4.881   null   null  d=  2.3
assi (( resid  21 and name HN))
     (( resid  20 and name HA))
             2.3 0.57 0.57
! peak number h 793  F1=  9.171  F2=  3.164   null   null  d=  3.7
assi (( resid  21 and name HN))
     (( resid  20 and name HB2))
             3.7 0.93 0.93
! peak number h 27  F1=  9.173  F2=  4.277   null   null  d=  3.0
assi (( resid  21 and name HN))
     (( resid  21 and name HA))
             3.0 0.75 0.75
! peak number h 33  F1=  9.172  F2=  3.868   null   null  d=  3.0
assi (( resid  21 and name HN))
     (( resid  21 and name HB2))
             3.0 0.75 0.75
! peak number h 31  F1=  9.173  F2=  3.988   null   null  d=  3.4
assi (( resid  21 and name HN))
     (( resid  21 and name HB3))
             3.4 0.84 0.84
! peak number h 1046  F1=  9.169  F2=  0.673   null   null  d=  3.9
assi (( resid  21 and name HN))
     (( resid  36 and name HD2*))
             3.9 0.97 0.97
! peak number d 325  F1=  3.547  F2=  5.041   null   null  d=  2.7
assi (( resid  22 and name HA))
     (( resid  22 and name HB2))
             2.7 0.69 0.69
! peak number d 28  F1=  5.023  F2=  2.729   null   null  d=  3.1
assi (( resid  22 and name HA))
     (( resid  22 and name HB3))
             3.1 0.79 0.79
! peak number d 989  F1=  1.154  F2=  3.556   null   null  d=  3.8
assi (( resid  22 and name HB2))
     (( resid  46 and name HG*))
             3.8 0.95 0.95
! peak number h 1020  F1=  3.728  F2=  2.742   null   null  d=  3.0
assi (( resid  22 and name HG))
     (( resid  22 and name HB3))
             3.0 0.74 0.74
! peak number h 315  F1=  4.278  F2=  8.486   null   null  d=  2.5
assi (( resid  22 and name HN))
     (( resid  21 and name HA))
             2.5 0.90 0.90
! peak number h 76  F1=  8.486  F2=  2.748   null   null  d=  3.0
assi (( resid  22 and name HN))
     (( resid  22 and name HB3))
             3.0 0.75 0.75
! peak number h 642  F1=  8.477  F2=  0.676   null   null  d=  3.0
assi (( resid  22 and name HN))
     (( resid  36 and name HD2*))
             3.0 0.75 0.75
! peak number d 19  F1=  5.857  F2=  2.931   null   null  d=  2.7
assi (( resid  23 and name HA))
     (( resid  23 and name HB2))
             2.7 0.69 0.69
! peak number d 29  F1=  5.859  F2=  2.712   null   null  d=  3.4
assi (( resid  23 and name HA))
     (( resid  23 and name HB3))
             3.4 0.86 0.86
! peak number d 174  F1=  5.860  F2=  4.916   null   null  d=  2.4
assi (( resid  23 and name HA))
     (( resid  34 and name HA))
             2.4 0.60 0.60
! peak number d 602  F1=  2.925  F2=  2.710   null   null  d=  1.9
assi (( resid  23 and name HB2))
     (( resid  23 and name HB3))
             1.9 0.46 0.46
! peak number d 555  F1=  2.922  F2=  2.571   null   null  d=  2.4
assi (( resid  23 and name HB2))
     (( resid  47 and name HB3))
             2.4 0.60 0.60
! peak number d 212  F1=  5.026  F2=  6.791   null   null  d=  3.1
assi (( resid  23 and name HD*))
     (( resid  22 and name HA))
             3.1 0.79 0.79
! peak number d 180  F1=  6.790  F2=  5.870   null   null  d=  3.1
assi (( resid  23 and name HD*))
     (( resid  23 and name HA))
             3.1 0.78 0.78
! peak number d 153  F1=  6.782  F2=  2.931   null   null  d=  2.5
assi (( resid  23 and name HD*))
     (( resid  23 and name HB2))
             2.5 0.63 0.63
! peak number d 159  F1=  6.782  F2=  2.717   null   null  d=  2.6
assi (( resid  23 and name HD*))
     (( resid  23 and name HB3))
             2.6 0.64 0.64
! peak number d 1039  F1=  6.782  F2=  3.393   null   null  d=  4.5
assi (( resid  23 and name HD*))
     (( resid  32 and name HB2))
             4.5 1.11 1.11
! peak number d 1100  F1=  5.092  F2=  6.792   null   null  d=  4.0
assi (( resid  23 and name HD*))
     (( resid  33 and name HA))
             4.0 1.00 1.00
! peak number d 111  F1=  6.780  F2=  4.917   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  34 and name HA))
             3.0 0.76 0.76
! peak number d 1038  F1=  6.783  F2=  3.962   null   null  d=  4.1
assi (( resid  23 and name HD*))
     (( resid  34 and name HD2))
             4.1 1.02 1.02
! peak number d 160  F1=  6.782  F2=  2.589   null   null  d=  3.2
assi (( resid  23 and name HD*))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             3.2 0.80 0.80
! peak number d 1102  F1=  4.566  F2=  6.792   null   null  d=  4.2
assi (( resid  23 and name HD*))
     (( resid  48 and name HA))
             4.2 1.04 1.04
! peak number d 116  F1=  6.780  F2=  4.830   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  49 and name HA))
             3.0 0.74 0.74
! peak number d 1316  F1=  1.272  F2=  6.796   null   null  d=  4.8
assi (( resid  23 and name HD*))
     (( resid  49 and name HG2*) or ( resid 33 and name HG))
             4.8 1.19 1.19
! peak number d 148  F1=  6.782  F2=  3.081   null   null  d=  3.4
assi (( resid  23 and name HD*))
     (( resid  50 and name HA))
             3.4 0.86 0.86
! peak number d 104  F1=  6.783  F2=  0.668   null   null  d=  3.6
assi (( resid  23 and name HD*))
     (( resid  50 and name HB))
             3.6 0.90 0.90
! peak number d 312  F1=  0.748  F2=  6.793   null   null  d=  3.0
assi (( resid  23 and name HD*))
     (( resid  50 and name HD1*))
             3.0 0.75 0.75
! peak number d 1053  F1=  6.783  F2=  2.184   null   null  d=  4.4
assi (( resid  23 and name HD*))
     (( resid  53 and name HA) or ( resid 34 and name HG*))
             4.4 1.09 1.09
! peak number d 1322  F1=  2.167  F2=  6.790   null   null  d=  4.3
assi (( resid  23 and name HD*))
     (( resid  53 and name HA) or ( resid 52 and name HB*) or ( resid 34 and name HG*))
             4.3 1.07 1.07
! peak number d 1251  F1=  6.783  F2=  3.189   null   null  d=  4.6
assi (( resid  23 and name HD*))
     (( resid  53 and name HB2))
             4.6 1.15 1.15
! peak number h 941  F1=  3.005  F2=  6.780   null   null  d=  4.9
assi (( resid  23 and name HD*))
     (( resid  53 and name HB3))
             4.9 1.23 1.23
! peak number d 1033  F1=  7.403  F2=  2.935   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  23 and name HB2))
             4.8 1.20 1.20
! peak number d 1040  F1=  7.404  F2=  2.718   null   null  d=  5.1
assi (( resid  23 and name HE*))
     (( resid  23 and name HB3))
             5.1 1.26 1.26
! peak number d 185  F1=  6.790  F2=  7.426   null   null  d=  2.1
assi (( resid  23 and name HE*))
     (( resid  23 and name HD*))
             2.1 0.53 0.53
! peak number d 918  F1=  4.907  F2=  7.414   null   null  d=  3.9
assi (( resid  23 and name HE*))
     (( resid  34 and name HA))
             3.9 0.97 0.97
! peak number d 293  F1=  1.981  F2=  7.420   null   null  d=  3.0
assi (( resid  23 and name HE*))
     (( resid  34 and name HB2))
             3.0 0.75 0.75
! peak number d 967  F1=  1.879  F2=  7.416   null   null  d=  3.8
assi (( resid  23 and name HE*))
     (( resid  34 and name HB3))
             3.8 0.95 0.95
! peak number d 1108  F1=  3.947  F2=  7.420   null   null  d=  3.5
assi (( resid  23 and name HE*))
     (( resid  34 and name HD2))
             3.5 0.86 0.86
! peak number d 941  F1=  7.402  F2=  3.965   null   null  d=  4.1
assi (( resid  23 and name HE*))
     (( resid  34 and name HD2) or ( resid 21 and name HB3))
             4.1 1.02 1.02
! peak number h 807  F1=  7.410  F2=  3.867   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  34 and name HD3) or ( resid 21 and name HB2))
             4.8 1.20 1.20
! peak number d 795  F1=  2.169  F2=  7.420   null   null  d=  3.2
assi (( resid  23 and name HE*))
     (( resid  34 and name HG*))
             3.2 0.81 0.81
! peak number d 115  F1=  7.405  F2=  4.828   null   null  d=  2.8
assi (( resid  23 and name HE*))
     (( resid  49 and name HA))
             2.8 0.71 0.71
! peak number d 1396  F1=  4.441  F2=  7.409   null   null  d=  4.8
assi (( resid  23 and name HE*))
     (( resid  49 and name HB))
             4.8 1.20 1.20
! peak number d 1146  F1=  3.069  F2=  7.418   null   null  d=  4.3
assi (( resid  23 and name HE*))
     (( resid  50 and name HA))
             4.3 1.06 1.06
! peak number d 301  F1=  0.654  F2=  7.416   null   null  d=  3.0
assi (( resid  23 and name HE*))
     (( resid  50 and name HB))
             3.0 0.74 0.74
! peak number d 300  F1=  0.766  F2=  7.415   null   null  d=  2.9
assi (( resid  23 and name HE*))
     (( resid  50 and name HD1*))
             2.9 0.72 0.72
! peak number d 736  F1=  7.411  F2=  0.877   null   null  d=  3.6
assi (( resid  23 and name HE*))
     (( resid  50 and name HG1*))
             3.6 0.91 0.91
! peak number d 62  F1=  7.405  F2=  2.178   null   null  d=  3.3
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  34 and name HG*) or ( resid 3 and name HG2))
             3.3 0.82 0.82
! peak number d 955  F1=  7.403  F2=  1.886   null   null  d=  4.2
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  4 and name HG2) or ( resid 34 and name HB3))
             4.2 1.05 1.05
! peak number d 1045  F1=  7.402  F2=  1.285   null   null  d=  4.1
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  49 and name HG2*) or ( resid 30 and name HG2))
             4.1 1.02 1.02
! peak number h 927  F1=  1.880  F2=  7.403   null   null  d=  4.1
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  57 and name HB2) or ( resid 4 and name HG2) or ( resid 34 and name HB3))
             4.1 1.02 1.02
! peak number h 599  F1=  7.404  F2=  0.865   null   null  d=  3.6
assi (( resid  23 and name HE*) or ( resid 1 and name HZ2))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.6 0.90 0.90
! peak number h 414  F1=  9.138  F2=  5.013   null   null  d=  2.5
assi (( resid  23 and name HN))
     (( resid  22 and name HA))
             2.5 0.62 0.62
! peak number h 16  F1=  9.140  F2=  3.549   null   null  d=  2.6
assi (( resid  23 and name HN))
     (( resid  22 and name HB2))
             2.6 0.65 0.65
! peak number h 21  F1=  9.140  F2=  2.712   null   null  d=  2.7
assi (( resid  23 and name HN))
     (( resid  22 and name HB3))
             2.7 0.68 0.68
! peak number h 756  F1=  2.930  F2=  9.148   null   null  d=  3.9
assi (( resid  23 and name HN))
     (( resid  23 and name HB2))
             3.9 0.96 0.96
! peak number h 300  F1=  6.788  F2=  9.136   null   null  d=  3.1
assi (( resid  23 and name HN))
     (( resid  23 and name HD*))
             3.1 0.78 0.78
! peak number d 1087  F1=  5.316  F2=  -0.716   null   null  d=  4.6
assi (( resid  24 and name HA))
     (( resid  11 and name HG2*))
             4.6 1.15 1.15
! peak number d 22  F1=  5.318  F2=  2.851   null   null  d=  2.4
assi (( resid  24 and name HA))
     (( resid  24 and name HB*))
             2.4 0.61 0.61
! peak number d 1382  F1=  5.319  F2=  3.194   null   null  d=  4.5
assi (( resid  24 and name HA))
     (( resid  53 and name HB2) or ( resid 25 and name HB3))
             4.5 1.14 1.14
! peak number d 1004  F1=  2.842  F2=  0.445   null   null  d=  3.6
assi (( resid  24 and name HB*))
     (( resid  11 and name HB))
             3.6 0.91 0.91
! peak number d 535  F1=  2.841  F2=  -0.719   null   null  d=  3.0
assi (( resid  24 and name HB*))
     (( resid  11 and name HG2*))
             3.0 0.75 0.75
! peak number d 311  F1=  0.431  F2=  6.947   null   null  d=  3.0
assi (( resid  24 and name HD*))
     (( resid  11 and name HB))
             3.0 0.76 0.76
! peak number d 1028  F1=  6.938  F2=  5.871   null   null  d=  4.0
assi (( resid  24 and name HD*))
     (( resid  23 and name HA))
             4.0 1.00 1.00
! peak number d 211  F1=  5.320  F2=  6.948   null   null  d=  3.8
assi (( resid  24 and name HD*))
     (( resid  24 and name HA))
             3.8 0.95 0.95
! peak number d 157  F1=  6.938  F2=  2.842   null   null  d=  2.2
assi (( resid  24 and name HD*))
     (( resid  24 and name HB*))
             2.2 0.55 0.55
! peak number d 184  F1=  6.564  F2=  6.949   null   null  d=  2.2
assi (( resid  24 and name HD*))
     (( resid  24 and name HE*))
             2.2 0.54 0.54
! peak number d 1312  F1=  6.935  F2=  0.833   null   null  d=  5.2
assi (( resid  24 and name HD*))
     (( resid  33 and name HD2*))
             5.2 1.30 1.30
! peak number d 139  F1=  6.934  F2=  3.357   null   null  d=  2.7
assi (( resid  24 and name HD*))
     (( resid  35 and name HB2))
             2.7 0.68 0.68
! peak number d 285  F1=  2.952  F2=  6.952   null   null  d=  3.3
assi (( resid  24 and name HD*))
     (( resid  35 and name HB3))
             3.3 0.82 0.82
! peak number d 782  F1=  4.926  F2=  6.929   null   null  d=  3.8
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  57 and name HA) or ( resid 34 and name HA))
             3.8 0.95 0.95
! peak number d 745  F1=  6.946  F2=  1.186   null   null  d=  3.4
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3))
             3.4 0.84 0.84
! peak number d 117  F1=  6.929  F2=  4.549   null   null  d=  2.9
assi (( resid  24 and name HD*) or ( resid 1 and name HH2))
     (( resid  58 and name HA) or ( resid 26 and name HA))
             2.9 0.72 0.72
! peak number d 1260  F1=  3.679  F2=  6.921   null   null  d=  4.3
assi (( resid  24 and name HD*) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  4 and name HD3) or ( resid 10 and name HD3))
             4.3 1.07 1.07
! peak number d 807  F1=  0.433  F2=  6.574   null   null  d=  3.3
assi (( resid  24 and name HE*))
     (( resid  11 and name HB))
             3.3 0.82 0.82
! peak number d 316  F1=  0.313  F2=  6.571   null   null  d=  3.4
assi (( resid  24 and name HE*))
     (( resid  11 and name HG1*))
             3.4 0.84 0.84
! peak number d 103  F1=  6.564  F2=  -0.719   null   null  d=  3.8
assi (( resid  24 and name HE*))
     (( resid  11 and name HG2*))
             3.8 0.94 0.94
! peak number d 760  F1=  6.569  F2=  2.854   null   null  d=  3.7
assi (( resid  24 and name HE*))
     (( resid  24 and name HB*))
             3.7 0.93 0.93
! peak number d 118  F1=  6.564  F2=  4.557   null   null  d=  2.6
assi (( resid  24 and name HE*))
     (( resid  26 and name HA))
             2.6 0.66 0.66
! peak number d 69  F1=  6.565  F2=  1.824   null   null  d=  3.4
assi (( resid  24 and name HE*))
     (( resid  26 and name HB*))
             3.4 0.85 0.85
! peak number d 75  F1=  6.565  F2=  1.551   null   null  d=  3.1
assi (( resid  24 and name HE*))
     (( resid  26 and name HD*))
             3.1 0.77 0.77
! peak number d 1054  F1=  6.565  F2=  1.116   null   null  d=  3.9
assi (( resid  24 and name HE*))
     (( resid  26 and name HG2))
             3.9 0.98 0.98
! peak number d 313  F1=  1.379  F2=  6.571   null   null  d=  2.8
assi (( resid  24 and name HE*))
     (( resid  26 and name HG3))
             2.8 0.70 0.70
! peak number d 1233  F1=  6.564  F2=  3.899   null   null  d=  4.7
assi (( resid  24 and name HE*))
     (( resid  27 and name HB3) or ( resid 11 and name HA))
             4.7 1.18 1.18
! peak number d 105  F1=  6.566  F2=  1.639   null   null  d=  3.5
assi (( resid  24 and name HE*))
     (( resid  33 and name HB2))
             3.5 0.88 0.88
! peak number d 314  F1=  1.203  F2=  6.571   null   null  d=  2.8
assi (( resid  24 and name HE*))
     (( resid  33 and name HB3))
             2.8 0.70 0.70
! peak number d 315  F1=  0.824  F2=  6.575   null   null  d=  3.5
assi (( resid  24 and name HE*))
     (( resid  33 and name HD2*))
             3.5 0.86 0.86
! peak number d 140  F1=  6.564  F2=  3.351   null   null  d=  3.0
assi (( resid  24 and name HE*))
     (( resid  35 and name HB2))
             3.0 0.74 0.74
! peak number d 775  F1=  6.565  F2=  2.968   null   null  d=  3.6
assi (( resid  24 and name HE*))
     (( resid  35 and name HB3) or ( resid 26 and name HE2))
             3.6 0.90 0.90
! peak number h 306  F1=  5.864  F2=  10.049   null   null  d=  2.5
assi (( resid  24 and name HN))
     (( resid  23 and name HA))
             2.5 0.62 0.62
! peak number h 15  F1=  10.049  F2=  2.920   null   null  d=  3.0
assi (( resid  24 and name HN))
     (( resid  23 and name HB2))
             3.0 0.76 0.76
! peak number h 411  F1=  10.047  F2=  5.323   null   null  d=  3.3
assi (( resid  24 and name HN))
     (( resid  24 and name HA))
             3.3 0.82 0.82
! peak number h 603  F1=  10.044  F2=  2.833   null   null  d=  3.5
assi (( resid  24 and name HN))
     (( resid  24 and name HB*))
             3.5 0.86 0.86
! peak number h 287  F1=  6.934  F2=  10.042   null   null  d=  2.7
assi (( resid  24 and name HN))
     (( resid  24 and name HD*))
             2.7 0.68 0.68
! peak number h 107  F1=  10.045  F2=  9.306   null   null  d=  3.0
assi (( resid  24 and name HN))
     (( resid  33 and name HN))
             3.0 0.74 0.74
! peak number h 410  F1=  10.047  F2=  7.030   null   null  d=  3.3
assi (( resid  24 and name HN))
     (( resid  35 and name HD*))
             3.3 0.84 0.84
! peak number d 327  F1=  3.827  F2=  4.850   null   null  d=  2.6
assi (( resid  25 and name HA))
     (( resid  25 and name HB2))
             2.6 0.65 0.65
! peak number d 17  F1=  4.834  F2=  3.204   null   null  d=  2.8
assi (( resid  25 and name HA))
     (( resid  25 and name HB3))
             2.8 0.70 0.70
! peak number h 736  F1=  3.180  F2=  4.859   null   null  d=  2.2
assi (( resid  25 and name HA) or ( resid 20 and name HA))
     (( resid  25 and name HB3) or ( resid 20 and name HB2))
             2.2 0.55 0.55
! peak number d 501  F1=  3.200  F2=  3.837   null   null  d=  1.9
assi (( resid  25 and name HB2))
     (( resid  25 and name HB3))
             1.9 0.46 0.46
! peak number d 639  F1=  1.875  F2=  3.818   null   null  d=  2.8
assi (( resid  25 and name HB2) or ( resid 10 and name HD2))
     (( resid  57 and name HB2) or ( resid 10 and name HG3))
             2.8 0.70 0.70
! peak number d 619  F1=  1.860  F2=  3.197   null   null  d=  2.6
assi (( resid  25 and name HB3))
     (( resid  57 and name HB2))
             2.6 0.65 0.65
! peak number d 114  F1=  7.786  F2=  4.858   null   null  d=  2.5
assi (( resid  25 and name HD*))
     (( resid  25 and name HA))
             2.5 0.62 0.62
! peak number d 129  F1=  7.782  F2=  3.843   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HB2))
             2.8 0.75 0.75
! peak number d 132  F1=  7.788  F2=  3.205   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HB3))
             2.8 0.69 0.69
! peak number h 789  F1=  7.019  F2=  7.782   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  25 and name HE1))
             2.8 0.70 0.70
! peak number d 192  F1=  7.783  F2=  7.093   null   null  d=  2.3
assi (( resid  25 and name HD*))
     (( resid  25 and name HE2))
             2.3 0.57 0.57
! peak number d 791  F1=  4.044  F2=  7.795   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  27 and name HA))
             3.5 0.88 0.88
! peak number d 1236  F1=  7.785  F2=  3.421   null   null  d=  3.8
assi (( resid  25 and name HD*))
     (( resid  27 and name HB2))
             3.8 0.94 0.94
! peak number d 1020  F1=  7.786  F2=  5.400   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  32 and name HA))
             3.5 0.88 0.88
! peak number d 1158  F1=  1.861  F2=  7.796   null   null  d=  3.5
assi (( resid  25 and name HD*))
     (( resid  57 and name HB2))
             3.5 0.89 0.89
! peak number d 1042  F1=  7.787  F2=  1.194   null   null  d=  3.7
assi (( resid  25 and name HD*))
     (( resid  57 and name HB3))
             3.7 0.93 0.93
! peak number d 1287  F1=  7.778  F2=  0.994   null   null  d=  4.3
assi (( resid  25 and name HD*))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             4.3 1.07 1.07
! peak number d 1283  F1=  7.780  F2=  1.436   null   null  d=  4.8
assi (( resid  25 and name HD*))
     (( resid  58 and name HG))
             4.8 1.21 1.21
! peak number d 1288  F1=  7.778  F2=  1.069   null   null  d=  4.8
assi (( resid  25 and name HD*))
     (( resid  60 and name HG*))
             4.8 1.20 1.20
! peak number d 130  F1=  7.789  F2=  3.310   null   null  d=  2.8
assi (( resid  25 and name HD*))
     (( resid  7 and name HB2))
             2.8 0.71 0.71
! peak number d 1029  F1=  7.790  F2=  2.907   null   null  d=  3.6
assi (( resid  25 and name HD*))
     (( resid  7 and name HB3))
             3.6 0.91 0.91
! peak number h 130  F1=  7.774  F2=  3.816   null   null  d=  3.0
assi (( resid  25 and name HD*) or ( resid 18 and name HN))
     (( resid  38 and name HB2) or ( resid 25 and name HB2))
             3.0 0.74 0.74
! peak number d 1252  F1=  3.061  F2=  7.006   null   null  d=  4.1
assi (( resid  25 and name HE1))
     (( resid  54 and name HD2))
             4.1 1.02 1.02
! peak number d 744  F1=  7.019  F2=  1.197   null   null  d=  3.1
assi (( resid  25 and name HE1))
     (( resid  57 and name HB3) or ( resid 30 and name HG3))
             3.1 0.78 0.78
! peak number d 89  F1=  7.020  F2=  0.993   null   null  d=  3.5
assi (( resid  25 and name HE1))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             3.5 0.87 0.87
! peak number d 77  F1=  7.021  F2=  1.441   null   null  d=  3.1
assi (( resid  25 and name HE1))
     (( resid  58 and name HG))
             3.1 0.77 0.77
! peak number d 127  F1=  7.087  F2=  4.055   null   null  d=  3.3
assi (( resid  25 and name HE2))
     (( resid  27 and name HA))
             3.3 0.83 0.83
! peak number d 142  F1=  7.080  F2=  3.241   null   null  d=  3.2
assi (( resid  25 and name HE2))
     (( resid  30 and name HA))
             3.2 0.80 0.80
! peak number d 959  F1=  7.083  F2=  1.565   null   null  d=  3.4
assi (( resid  25 and name HE2))
     (( resid  30 and name HD2))
             3.4 0.85 0.85
! peak number d 960  F1=  7.086  F2=  1.307   null   null  d=  3.9
assi (( resid  25 and name HE2))
     (( resid  30 and name HG2))
             3.9 0.97 0.97
! peak number d 1266  F1=  7.088  F2=  4.674   null   null  d=  3.7
assi (( resid  25 and name HE2))
     (( resid  45 and name HA) or ( resid 31 and name HA))
             3.7 0.93 0.93
! peak number d 1052  F1=  7.084  F2=  1.210   null   null  d=  3.5
assi (( resid  25 and name HE2))
     (( resid  57 and name HB3))
             3.5 0.88 0.88
! peak number d 88  F1=  7.079  F2=  0.992   null   null  d=  2.9
assi (( resid  25 and name HE2))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.9 0.72 0.72
! peak number d 919  F1=  4.664  F2=  7.088   null   null  d=  3.9
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  45 and name HA) or ( resid 31 and name HA) or ( resid 17 and name HA))
             3.9 0.97 0.97
! peak number d 306  F1=  1.431  F2=  7.067   null   null  d=  2.7
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  58 and name HG) or ( resid 18 and name HG3))
             2.7 0.69 0.69
! peak number d 920  F1=  4.523  F2=  7.098   null   null  d=  3.6
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HA) or ( resid 39 and name HA1))
             3.6 0.90 0.90
! peak number d 154  F1=  7.088  F2=  2.906   null   null  d=  3.0
assi (( resid  25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HB3) or ( resid 20 and name HB3))
             3.0 0.74 0.74
! peak number h 10  F1=  10.564  F2=  5.317   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  24 and name HA))
             2.9 0.73 0.73
! peak number h 14  F1=  10.564  F2=  2.836   null   null  d=  2.7
assi (( resid  25 and name HN))
     (( resid  24 and name HB*))
             2.7 0.69 0.69
! peak number h 750  F1=  10.564  F2=  6.936   null   null  d=  3.8
assi (( resid  25 and name HN))
     (( resid  24 and name HD*))
             3.8 0.94 0.94
! peak number h 11  F1=  10.564  F2=  4.853   null   null  d=  3.5
assi (( resid  25 and name HN))
     (( resid  25 and name HA))
             3.5 0.88 0.88
! peak number h 12  F1=  10.565  F2=  3.822   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  25 and name HB2))
             2.9 0.73 0.73
! peak number h 13  F1=  10.565  F2=  3.193   null   null  d=  2.9
assi (( resid  25 and name HN))
     (( resid  25 and name HB3))
             2.9 0.72 0.72
! peak number h 1  F1=  10.564  F2=  8.341   null   null  d=  3.0
assi (( resid  25 and name HN))
     (( resid  45 and name HD21))
             3.0 0.3 0.3
! peak number h 751  F1=  10.564  F2=  7.962   null   null  d=  4.0
assi (( resid  25 and name HN))
     (( resid  45 and name HD22))
             4.0 0.4 0.4
! peak number d 342  F1=  1.801  F2=  4.544   null   null  d=  2.4
assi (( resid  26 and name HA))
     (( resid  26 and name HB*))
             2.4 0.60 0.60
! peak number d 364  F1=  1.550  F2=  4.554   null   null  d=  2.5
assi (( resid  26 and name HA))
     (( resid  26 and name HD*))
             2.5 0.61 0.61
! peak number d 721  F1=  1.797  F2=  0.823   null   null  d=  2.2
assi (( resid  26 and name HB*))
     (( resid  33 and name HD2*))
             2.2 0.55 0.55
! peak number d 622  F1=  1.828  F2=  2.991   null   null  d=  2.4
assi (( resid  26 and name HE2))
     (( resid  26 and name HB*))
             2.4 0.60 0.60
! peak number d 985  F1=  1.103  F2=  2.983   null   null  d=  3.4
assi (( resid  26 and name HE2))
     (( resid  26 and name HG2))
             3.4 0.85 0.85
! peak number d 986  F1=  1.202  F2=  2.971   null   null  d=  3.5
assi (( resid  26 and name HE2))
     (( resid  29 and name HB*))
             3.5 0.88 0.88
! peak number d 676  F1=  1.109  F2=  2.886   null   null  d=  2.9
assi (( resid  26 and name HE3))
     (( resid  26 and name HG2))
             2.9 0.72 0.72
! peak number d 979  F1=  0.827  F2=  1.400   null   null  d=  2.7
assi (( resid  26 and name HG3))
     (( resid  33 and name HD2*))
             2.7 0.68 0.68
! peak number h 431  F1=  8.590  F2=  4.846   null   null  d=  2.3
assi (( resid  26 and name HN))
     (( resid  25 and name HA))
             2.3 0.57 0.57
! peak number h 597  F1=  8.586  F2=  4.549   null   null  d=  3.3
assi (( resid  26 and name HN))
     (( resid  26 and name HA))
             3.3 0.82 0.82
! peak number h 384  F1=  1.819  F2=  8.591   null   null  d=  2.7
assi (( resid  26 and name HN))
     (( resid  26 and name HB*))
             2.7 0.68 0.68
! peak number h 42  F1=  8.590  F2=  1.389   null   null  d=  3.0
assi (( resid  26 and name HN))
     (( resid  26 and name HG3))
             3.0 0.75 0.75
! peak number h 611  F1=  8.587  F2=  6.270   null   null  d=  3.5
assi (( resid  26 and name HN))
     (( resid  31 and name HN))
             3.5 0.88 0.88
! peak number h 629  F1=  8.586  F2=  5.386   null   null  d=  3.4
assi (( resid  26 and name HN))
     (( resid  32 and name HA))
             3.4 0.85 0.85
! peak number h 1089  F1=  8.590  F2=  3.189   null   null  d=  3.9
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  25 and name HB3) or ( resid 12 and name HD*))
             3.9 0.97 0.97
! peak number h 839  F1=  8.595  F2=  1.574   null   null  d=  3.3
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  31 and name HB*) or ( resid 26 and name HD*) or ( resid 13 and name HG1*) or ( resid 12 and name HG3))
             3.3 0.82 0.82
! peak number h 649  F1=  8.595  F2=  1.297   null   null  d=  3.5
assi (( resid  26 and name HN) or ( resid 14 and name HN))
     (( resid  33 and name HG) or ( resid 13 and name HG2*))
             3.5 0.86 0.86
! peak number d 446  F1=  4.046  F2=  3.446   null   null  d=  3.0
assi (( resid  27 and name HA))
     (( resid  27 and name HB2))
             3.0 0.94 0.94
! peak number d 1297  F1=  1.118  F2=  4.025   null   null  d=  4.9
assi (( resid  27 and name HA))
     (( resid  28 and name HG2*) or ( resid 26 and name HG2))
             4.9 1.23 1.23
! peak number d 1112  F1=  4.048  F2=  1.563   null   null  d=  3.5
assi (( resid  27 and name HA))
     (( resid  30 and name HD2))
             3.5 0.88 0.88
! peak number d 503  F1=  3.425  F2=  3.894   null   null  d=  1.9
assi (( resid  27 and name HB3))
     (( resid  27 and name HB2))
             1.9 0.47 0.47
! peak number d 1399  F1=  4.044  F2=  7.349   null   null  d=  4.8
assi (( resid  27 and name HD1))
     (( resid  27 and name HA))
             4.8 1.70 1.70
! peak number d 133  F1=  7.338  F2=  3.430   null   null  d=  3.1
assi (( resid  27 and name HD1))
     (( resid  27 and name HB2))
             3.1 0.77 0.77
! peak number d 238  F1=  3.740  F2=  7.349   null   null  d=  3.9
assi (( resid  27 and name HD1))
     (( resid  28 and name HA))
             3.9 0.97 0.97
! peak number d 303  F1=  1.136  F2=  7.345   null   null  d=  3.5
assi (( resid  27 and name HD1))
     (( resid  28 and name HG2*))
             3.5 0.86 0.86
! peak number d 124  F1=  7.338  F2=  4.183   null   null  d=  3.9
assi (( resid  27 and name HD1))
     (( resid  8 and name HA) or ( resid 28 and name HB))
             3.9 0.98 0.98
! peak number h 286  F1=  7.344  F2=  10.270   null   null  d=  2.7
assi (( resid  27 and name HE1))
     (( resid  27 and name HD1))
             2.7 0.68 0.68
! peak number h 285  F1=  7.597  F2=  10.274   null   null  d=  3.1
assi (( resid  27 and name HE1))
     (( resid  27 and name HZ2))
             3.1 0.78 0.78
! peak number d 749  F1=  7.692  F2=  3.435   null   null  d=  3.7
assi (( resid  27 and name HE3))
     (( resid  27 and name HB2))
             3.7 0.93 0.93
! peak number d 128  F1=  7.692  F2=  3.885   null   null  d=  3.1
assi (( resid  27 and name HE3))
     (( resid  27 and name HB3))
             3.1 0.85 0.85
! peak number d 131  F1=  7.693  F2=  3.302   null   null  d=  3.5
assi (( resid  27 and name HE3))
     (( resid  7 and name HB2))
             3.5 0.96 0.96
! peak number d 1030  F1=  7.693  F2=  2.907   null   null  d=  3.9
assi (( resid  27 and name HE3))
     (( resid  7 and name HB3))
             3.9 0.96 0.96
! peak number d 1106  F1=  4.183  F2=  7.702   null   null  d=  3.5
assi (( resid  27 and name HE3))
     (( resid  8 and name HA))
             3.5 0.90 0.90
! peak number d 1244  F1=  7.691  F2=  2.201   null   null  d=  4.8
assi (( resid  27 and name HE3))
     (( resid  8 and name HE*) or ( resid 3 and name HG2))
             4.8 1.19 1.19
! peak number h 132  F1=  7.692  F2=  3.885   null   null  d=  2.8
assi (( resid  27 and name HE3) or ( resid 11 and name HN))
     (( resid  27 and name HB3) or ( resid 11 and name HA))
             2.8 0.70 0.70
! peak number d 196  F1=  7.087  F2=  7.707   null   null  d=  2.5
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  25 and name HE2))
             2.5 0.62 0.62
! peak number d 126  F1=  7.692  F2=  4.053   null   null  d=  3.0
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  27 and name HA))
             3.0 0.76 0.76
! peak number d 190  F1=  6.984  F2=  7.697   null   null  d=  2.4
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  27 and name HZ3) or ( resid 25 and name HE1))
             2.4 0.61 0.61
! peak number d 1234  F1=  7.692  F2=  3.751   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  28 and name HA))
             4.3 1.09 1.09
! peak number d 1043  F1=  7.691  F2=  1.158   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  28 and name HG2*))
             4.3 1.07 1.07
! peak number d 1285  F1=  7.692  F2=  1.780   null   null  d=  4.3
assi (( resid  27 and name HE3) or ( resid 25 and name HZ))
     (( resid  30 and name HB3) or ( resid 3 and name HB3))
             4.3 1.06 1.06
! peak number h 925  F1=  2.016  F2=  7.224   null   null  d=  3.9
assi (( resid  27 and name HH2))
     (( resid  3 and name HG3))
             3.9 0.97 0.97
! peak number h 250  F1=  6.984  F2=  7.230   null   null  d=  2.2
assi (( resid  27 and name HH2) or ( resid 1 and name HD1))
     (( resid  59 and name HN) or ( resid 27 and name HZ3))
             2.2 0.55 0.55
! peak number d 64  F1=  7.229  F2=  2.031   null   null  d=  3.5
assi (( resid  27 and name HH2) or ( resid 1 and name HE3))
     (( resid  3 and name HG3))
             3.5 0.88 0.88
! peak number d 966  F1=  2.020  F2=  7.241   null   null  d=  3.9
assi (( resid  27 and name HH2) or ( resid 1 and name HE3))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.9 0.96 0.96
! peak number d 1156  F1=  1.782  F2=  7.246   null   null  d=  3.6
assi (( resid  27 and name HH2) or ( resid 1 and name HE3) or ( resid 1 and name HD1))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             3.6 0.90 0.90
! peak number h 1044  F1=  1.546  F2=  8.294   null   null  d=  5.0
assi (( resid  27 and name HN))
     (( resid  26 and name HD*))
             5.0 1.26 1.26
! peak number h 1064  F1=  8.292  F2=  1.114   null   null  d=  4.0
assi (( resid  27 and name HN))
     (( resid  26 and name HG2))
             4.0 1.00 1.00
! peak number h 1065  F1=  8.292  F2=  1.378   null   null  d=  4.3
assi (( resid  27 and name HN))
     (( resid  26 and name HG3))
             4.3 1.07 1.07
! peak number h 78  F1=  8.297  F2=  4.045   null   null  d=  2.8
assi (( resid  27 and name HN))
     (( resid  27 and name HA))
             2.8 0.70 0.70
! peak number h 323  F1=  3.428  F2=  8.302   null   null  d=  2.8
assi (( resid  27 and name HN))
     (( resid  27 and name HB2))
             2.8 0.70 0.70
! peak number h 520  F1=  3.876  F2=  8.294   null   null  d=  2.9
assi (( resid  27 and name HN))
     (( resid  27 and name HB3))
             2.9 0.71 0.71
! peak number h 786  F1=  8.290  F2=  7.329   null   null  d=  3.7
assi (( resid  27 and name HN))
     (( resid  27 and name HD1))
             3.7 0.93 0.93
! peak number d 194  F1=  7.233  F2=  7.597   null   null  d=  2.4
assi (( resid  27 and name HZ2))
     (( resid  27 and name HH2))
             2.4 0.61 0.61
! peak number d 1309  F1=  2.198  F2=  7.594   null   null  d=  4.3
assi (( resid  27 and name HZ2))
     (( resid  8 and name HE*) or ( resid 3 and name HG2))
             4.3 1.06 1.06
! peak number d 1327  F1=  2.474  F2=  7.000   null   null  d=  3.8
assi (( resid  27 and name HZ3))
     (( resid  3 and name HB2))
             3.8 0.95 0.95
! peak number d 741  F1=  6.982  F2=  2.202   null   null  d=  3.5
assi (( resid  27 and name HZ3))
     (( resid  3 and name HG2))
             3.5 1.00 1.00
! peak number d 743  F1=  6.983  F2=  2.033   null   null  d=  3.6
assi (( resid  27 and name HZ3))
     (( resid  3 and name HG3))
             3.6 0.90 0.90
! peak number d 109  F1=  6.977  F2=  1.791   null   null  d=  3.3
assi (( resid  27 and name HZ3) or ( resid 25 and name HE1))
     (( resid  30 and name HB3) or ( resid 3 and name HB3))
             3.3 0.84 0.84
! peak number d 1257  F1=  6.983  F2=  3.312   null   null  d=  3.7
assi (( resid  27 and name HZ3) or ( resid 25 and name HE1))
     (( resid  7 and name HB2))
             3.7 0.93 0.93
! peak number d 390  F1=  3.743  F2=  1.149   null   null  d=  2.9
assi (( resid  28 and name HA))
     (( resid  28 and name HG2*))
             2.9 0.71 0.71
! peak number d 487  F1=  3.741  F2=  4.185   null   null  d=  2.4
assi (( resid  28 and name HB))
     (( resid  28 and name HA))
             2.4 0.60 0.60
! peak number d 668  F1=  1.136  F2=  4.184   null   null  d=  2.9
assi (( resid  28 and name HB))
     (( resid  28 and name HG2*))
             2.9 0.90 0.90
! peak number h 704  F1=  3.420  F2=  8.100   null   null  d=  3.2
assi (( resid  28 and name HN))
     (( resid  27 and name HB2))
             3.2 0.80 0.80
! peak number h 320  F1=  3.746  F2=  8.101   null   null  d=  3.1
assi (( resid  28 and name HN))
     (( resid  28 and name HA))
             3.1 0.78 0.78
! peak number h 482  F1=  8.104  F2=  4.184   null   null  d=  3.6
assi (( resid  28 and name HN))
     (( resid  28 and name HB))
             3.6 0.90 0.90
! peak number h 388  F1=  1.143  F2=  8.102   null   null  d=  2.9
assi (( resid  28 and name HN))
     (( resid  28 and name HG2*))
             2.9 0.72 0.72
! peak number h 58  F1=  8.106  F2=  1.132   null   null  d=  2.6
assi (( resid  28 and name HN))
     (( resid  28 and name HG2*) or ( resid 26 and name HG2))
             2.6 0.65 0.65
! peak number h 218  F1=  8.106  F2=  6.649   null   null  d=  3.0
assi (( resid  28 and name HN))
     (( resid  29 and name HN))
             3.0 0.74 0.74
! peak number d 673  F1=  1.204  F2=  4.400   null   null  d=  2.3
assi (( resid  29 and name HA))
     (( resid  29 and name HB*))
             2.3 0.56 0.56
! peak number h 593  F1=  1.551  F2=  6.659   null   null  d=  3.2
assi (( resid  29 and name HN))
     (( resid  26 and name HD*))
             3.2 0.80 0.80
! peak number h 190  F1=  6.651  F2=  1.098   null   null  d=  2.6
assi (( resid  29 and name HN))
     (( resid  26 and name HG2))
             2.6 0.65 0.65
! peak number h 1085  F1=  3.744  F2=  6.648   null   null  d=  4.0
assi (( resid  29 and name HN))
     (( resid  28 and name HA))
             4.0 1.01 1.01
! peak number h 198  F1=  6.657  F2=  4.399   null   null  d=  2.8
assi (( resid  29 and name HN))
     (( resid  29 and name HA))
             2.8 0.70 0.70
! peak number h 187  F1=  6.650  F2=  1.209   null   null  d=  2.5
assi (( resid  29 and name HN))
     (( resid  29 and name HB*))
             2.5 0.64 0.64
! peak number h 1092  F1=  6.653  F2=  3.230   null   null  d=  4.1
assi (( resid  29 and name HN))
     (( resid  30 and name HA))
             4.1 1.02 1.02
! peak number d 392  F1=  4.103  F2=  2.486   null   null  d=  2.8
assi (( resid  3 and name HA))
     (( resid  3 and name HB2))
             2.8 0.70 0.70
! peak number d 1072  F1=  4.097  F2=  1.791   null   null  d=  3.0
assi (( resid  3 and name HA))
     (( resid  3 and name HB3))
             3.0 0.75 0.75
! peak number d 1012  F1=  4.097  F2=  2.199   null   null  d=  3.6
assi (( resid  3 and name HA))
     (( resid  3 and name HG2))
             3.6 0.90 0.90
! peak number d 486  F1=  3.682  F2=  4.108   null   null  d=  2.3
assi (( resid  3 and name HA))
     (( resid  4 and name HD3))
             2.3 0.57 0.57
! peak number d 1073  F1=  4.104  F2=  1.899   null   null  d=  3.8
assi (( resid  3 and name HA))
     (( resid  4 and name HG2))
             3.8 0.95 0.95
! peak number d 898  F1=  2.023  F2=  2.480   null   null  d=  3.0
assi (( resid  3 and name HB2))
     (( resid  3 and name HG3))
             3.0 0.75 0.75
! peak number d 473  F1=  3.499  F2=  1.590   null   null  d=  3.3
assi (( resid  3 and name HD2))
     (( resid  2 and name HB3))
             3.3 0.84 0.84
! peak number d 1371  F1=  3.494  F2=  2.478   null   null  d=  3.3
assi (( resid  3 and name HD2))
     (( resid  3 and name HB2))
             3.3 0.82 0.82
! peak number d 615  F1=  1.788  F2=  3.493   null   null  d=  2.8
assi (( resid  3 and name HD2))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             2.8 0.70 0.70
! peak number d 608  F1=  2.021  F2=  3.500   null   null  d=  2.9
assi (( resid  3 and name HD2))
     (( resid  3 and name HG3))
             2.9 0.72 0.72
! peak number d 1377  F1=  1.572  F2=  3.358   null   null  d=  3.9
assi (( resid  3 and name HD3))
     (( resid  2 and name HB3))
             3.9 0.97 0.97
! peak number d 869  F1=  1.787  F2=  3.361   null   null  d=  3.0
assi (( resid  3 and name HD3))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             3.0 0.75 0.75
! peak number d 471  F1=  3.357  F2=  2.029   null   null  d=  3.1
assi (( resid  3 and name HD3))
     (( resid  3 and name HG3))
             3.1 0.78 0.78
! peak number d 606  F1=  2.047  F2=  3.229   null   null  d=  3.3
assi (( resid  30 and name HA))
     (( resid  30 and name HB2))
             3.3 0.82 0.82
! peak number d 567  F1=  3.232  F2=  1.804   null   null  d=  2.4
assi (( resid  30 and name HA))
     (( resid  30 and name HB3))
             2.4 0.60 0.60
! peak number d 675  F1=  1.189  F2=  3.235   null   null  d=  2.8
assi (( resid  30 and name HA))
     (( resid  30 and name HG3))
             2.8 0.70 0.70
! peak number d 891  F1=  1.191  F2=  2.067   null   null  d=  2.7
assi (( resid  30 and name HB2))
     (( resid  30 and name HG3))
             2.7 0.68 0.68
! peak number d 685  F1=  1.014  F2=  2.491   null   null  d=  2.7
assi (( resid  30 and name HE3) or ( resid 3 and name HB2))
     (( resid  8 and name HD*) or ( resid 58 and name HD2*))
             2.7 0.68 0.68
! peak number h 806  F1=  7.582  F2=  4.046   null   null  d=  3.6
assi (( resid  30 and name HN))
     (( resid  27 and name HA))
             3.6 0.90 0.90
! peak number h 228  F1=  7.582  F2=  6.657   null   null  d=  2.3
assi (( resid  30 and name HN))
     (( resid  29 and name HN))
             2.3 0.59 0.59
! peak number h 116  F1=  7.580  F2=  3.238   null   null  d=  2.4
assi (( resid  30 and name HN))
     (( resid  30 and name HA))
             2.4 0.60 0.60
! peak number h 857  F1=  7.585  F2=  1.555   null   null  d=  3.8
assi (( resid  30 and name HN))
     (( resid  30 and name HD2))
             3.8 0.95 0.95
! peak number h 65  F1=  7.575  F2=  1.201   null   null  d=  3.0
assi (( resid  30 and name HN))
     (( resid  30 and name HG3) or ( resid 29 and name HB*))
             3.0 0.76 0.76
! peak number h 226  F1=  7.581  F2=  6.277   null   null  d=  3.0
assi (( resid  30 and name HN))
     (( resid  31 and name HN))
             3.0 0.75 0.75
! peak number h 1069  F1=  2.066  F2=  7.596   null   null  d=  4.1
assi (( resid  30 and name HN) or ( resid 19 and name HN))
     (( resid  30 and name HB2) or ( resid 19 and name HG3))
             4.1 1.02 1.02
! peak number h 386  F1=  1.285  F2=  7.605   null   null  d=  2.5
assi (( resid  30 and name HN) or ( resid 19 and name HN))
     (( resid  30 and name HG2) or ( resid 18 and name HG2))
             2.5 0.62 0.62
! peak number d 363  F1=  1.296  F2=  4.671   null   null  d=  2.6
assi (( resid  31 and name HA))
     (( resid  31 and name HG*))
             2.6 0.65 0.65
! peak number d 415  F1=  4.659  F2=  1.584   null   null  d=  2.1
assi (( resid  31 and name HA) or ( resid 17 and name HA))
     (( resid  31 and name HB*) or ( resid 17 and name HB*))
             2.1 0.53 0.53
! peak number d 420  F1=  4.658  F2=  1.296   null   null  d=  2.4
assi (( resid  31 and name HA) or ( resid 17 and name HA))
     (( resid  31 and name HG*) or ( resid 17 and name HG2))
             2.4 0.60 0.60
! peak number d 1008  F1=  1.592  F2=  2.961   null   null  d=  2.7
assi (( resid  31 and name HE*) or ( resid 17 and name HE*))
     (( resid  31 and name HB*) or ( resid 17 and name HB*))
             2.7 0.68 0.68
! peak number h 848  F1=  6.276  F2=  1.804   null   null  d=  3.5
assi (( resid  31 and name HN))
     (( resid  26 and name HB*))
             3.5 0.89 0.89
! peak number h 399  F1=  1.214  F2=  6.274   null   null  d=  3.3
assi (( resid  31 and name HN))
     (( resid  29 and name HB*))
             3.3 0.82 0.82
! peak number h 194  F1=  6.277  F2=  3.233   null   null  d=  2.7
assi (( resid  31 and name HN))
     (( resid  30 and name HA))
             2.7 0.69 0.69
! peak number h 1073  F1=  1.563  F2=  6.268   null   null  d=  5.2
assi (( resid  31 and name HN))
     (( resid  31 and name HB*))
             5.2 3.10 3.10
! peak number h 474  F1=  6.276  F2=  1.301   null   null  d=  3.1
assi (( resid  31 and name HN))
     (( resid  33 and name HG) or ( resid 31 and name HG*) or ( resid 30 and name HG2))
             3.1 0.79 0.79
! peak number d 177  F1=  4.844  F2=  5.398   null   null  d=  2.4
assi (( resid  32 and name HA))
     (( resid  25 and name HA))
             2.4 0.60 0.60
! peak number d 1059  F1=  5.389  F2=  3.207   null   null  d=  3.8
assi (( resid  32 and name HA))
     (( resid  25 and name HB3))
             3.8 0.95 0.95
! peak number d 14  F1=  5.388  F2=  3.397   null   null  d=  3.3
assi (( resid  32 and name HA))
     (( resid  32 and name HB2))
             3.3 0.84 0.84
! peak number d 31  F1=  5.403  F2=  2.602   null   null  d=  3.1
assi (( resid  32 and name HA))
     (( resid  32 and name HB3))
             3.1 0.77 0.77
! peak number d 1066  F1=  5.391  F2=  1.308   null   null  d=  3.6
assi (( resid  32 and name HA))
     (( resid  33 and name HG))
             3.6 0.90 0.90
! peak number d 1381  F1=  3.191  F2=  5.395   null   null  d=  4.2
assi (( resid  32 and name HA))
     (( resid  53 and name HB2) or ( resid 25 and name HB3))
             4.2 1.05 1.05
! peak number d 1334  F1=  1.198  F2=  5.395   null   null  d=  4.2
assi (( resid  32 and name HA))
     (( resid  57 and name HB3) or ( resid 33 and name HB3))
             4.2 1.04 1.04
! peak number d 681  F1=  0.771  F2=  3.398   null   null  d=  3.6
assi (( resid  32 and name HB2))
     (( resid  50 and name HD1*))
             3.6 0.90 0.90
! peak number d 682  F1=  0.870  F2=  3.400   null   null  d=  3.0
assi (( resid  32 and name HB2))
     (( resid  50 and name HG1*))
             3.0 0.75 0.75
! peak number d 993  F1=  0.769  F2=  2.599   null   null  d=  4.6
assi (( resid  32 and name HB3))
     (( resid  50 and name HD1*))
             4.6 1.15 1.15
! peak number d 687  F1=  0.869  F2=  2.601   null   null  d=  2.7
assi (( resid  32 and name HB3))
     (( resid  50 and name HG1*))
             2.7 0.68 0.68
! peak number h 451  F1=  8.640  F2=  1.570   null   null  d=  3.3
assi (( resid  32 and name HN))
     (( resid  31 and name HB*))
             3.3 0.82 0.82
! peak number h 648  F1=  8.644  F2=  1.302   null   null  d=  3.2
assi (( resid  32 and name HN))
     (( resid  31 and name HG*))
             3.2 0.80 0.80
! peak number h 439  F1=  8.642  F2=  5.385   null   null  d=  3.2
assi (( resid  32 and name HN))
     (( resid  32 and name HA))
             3.2 0.80 0.80
! peak number h 327  F1=  3.378  F2=  8.646   null   null  d=  2.7
assi (( resid  32 and name HN))
     (( resid  32 and name HB2))
             2.7 0.66 0.66
! peak number h 636  F1=  8.643  F2=  2.586   null   null  d=  3.8
assi (( resid  32 and name HN))
     (( resid  32 and name HB3))
             3.8 0.94 0.94
! peak number h 1057  F1=  0.982  F2=  8.638   null   null  d=  5.2
assi (( resid  32 and name HN))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             5.2 1.90 1.90
! peak number d 1207  F1=  1.620  F2=  5.108   null   null  d=  2.6
assi (( resid  33 and name HA))
     (( resid  33 and name HB2))
             2.6 0.66 0.66
! peak number d 351  F1=  1.206  F2=  5.102   null   null  d=  3.0
assi (( resid  33 and name HA))
     (( resid  33 and name HB3))
             3.0 0.74 0.74
! peak number d 352  F1=  0.942  F2=  5.098   null   null  d=  2.7
assi (( resid  33 and name HA))
     (( resid  33 and name HD1*))
             2.7 0.67 0.67
! peak number d 900  F1=  5.094  F2=  0.831   null   null  d=  3.8
assi (( resid  33 and name HA))
     (( resid  33 and name HD2*))
             3.8 0.95 0.95
! peak number d 350  F1=  1.295  F2=  5.103   null   null  d=  3.0
assi (( resid  33 and name HA))
     (( resid  33 and name HG))
             3.0 0.75 0.75
! peak number d 1  F1=  5.093  F2=  3.971   null   null  d=  2.3
assi (( resid  33 and name HA))
     (( resid  34 and name HD2))
             2.3 0.57 0.57
! peak number d 323  F1=  3.861  F2=  5.103   null   null  d=  2.4
assi (( resid  33 and name HA))
     (( resid  34 and name HD3))
             2.4 0.60 0.60
! peak number d 905  F1=  5.088  F2=  2.183   null   null  d=  3.6
assi (( resid  33 and name HA))
     (( resid  34 and name HG*))
             3.6 0.91 0.91
! peak number d 1423  F1=  0.939  F2=  1.612   null   null  d=  2.3
assi (( resid  33 and name HB2))
     (( resid  33 and name HD1*))
             2.3 0.57 0.57
! peak number d 980  F1=  0.831  F2=  1.605   null   null  d=  2.3
assi (( resid  33 and name HB2))
     (( resid  33 and name HD2*))
             2.3 0.57 0.57
! peak number d 851  F1=  1.205  F2=  0.835   null   null  d=  2.4
assi (( resid  33 and name HB3))
     (( resid  33 and name HD2*))
             2.4 0.60 0.60
! peak number d 977  F1=  0.829  F2=  1.310   null   null  d=  2.3
assi (( resid  33 and name HG))
     (( resid  33 and name HD2*))
             2.3 0.57 0.57
! peak number d 1426  F1=  0.942  F2=  1.305   null   null  d=  2.2
assi (( resid  33 and name HG) or ( resid 31 and name HG*))
     (( resid  33 and name HD1*))
             2.2 0.54 0.54
! peak number h 311  F1=  5.396  F2=  9.310   null   null  d=  2.5
assi (( resid  33 and name HN))
     (( resid  32 and name HA))
             2.5 0.61 0.61
! peak number h 944  F1=  9.303  F2=  2.589   null   null  d=  3.8
assi (( resid  33 and name HN))
     (( resid  32 and name HB3))
             3.8 0.95 0.95
! peak number h 413  F1=  9.312  F2=  5.092   null   null  d=  2.8
assi (( resid  33 and name HN))
     (( resid  33 and name HA))
             2.8 0.70 0.70
! peak number h 1043  F1=  1.622  F2=  9.301   null   null  d=  4.0
assi (( resid  33 and name HN))
     (( resid  33 and name HB2))
             4.0 0.99 0.99
! peak number h 25  F1=  9.305  F2=  1.197   null   null  d=  2.9
assi (( resid  33 and name HN))
     (( resid  33 and name HB3))
             2.9 0.71 0.71
! peak number h 1050  F1=  9.303  F2=  0.939   null   null  d=  4.4
assi (( resid  33 and name HN))
     (( resid  33 and name HD1*))
             4.4 1.10 1.10
! peak number h 1049  F1=  9.305  F2=  0.823   null   null  d=  3.8
assi (( resid  33 and name HN))
     (( resid  33 and name HD2*))
             3.8 0.95 0.95
! peak number h 835  F1=  9.307  F2=  1.300   null   null  d=  3.4
assi (( resid  33 and name HN))
     (( resid  33 and name HG))
             3.4 0.85 0.85
! peak number d 7  F1=  4.891  F2=  3.765   null   null  d=  3.0
assi (( resid  34 and name HA))
     (( resid  22 and name HG))
             3.0 0.75 0.75
! peak number d 345  F1=  1.978  F2=  4.914   null   null  d=  2.6
assi (( resid  34 and name HA))
     (( resid  34 and name HB2))
             2.6 0.65 0.65
! peak number d 38  F1=  4.907  F2=  2.179   null   null  d=  3.5
assi (( resid  34 and name HA))
     (( resid  34 and name HG*))
             3.5 0.86 0.86
! peak number d 1384  F1=  4.263  F2=  4.889   null   null  d=  3.4
assi (( resid  34 and name HA) or ( resid 20 and name HA))
     (( resid  21 and name HA) or ( resid 19 and name HA))
             3.4 0.85 0.85
! peak number d 1015  F1=  3.943  F2=  1.622   null   null  d=  3.0
assi (( resid  34 and name HD2))
     (( resid  33 and name HB2))
             3.0 0.75 0.75
! peak number d 1098  F1=  3.942  F2=  1.214   null   null  d=  4.1
assi (( resid  34 and name HD2))
     (( resid  33 and name HB3))
             4.1 1.02 1.02
! peak number d 388  F1=  3.943  F2=  0.953   null   null  d=  3.4
assi (( resid  34 and name HD2))
     (( resid  33 and name HD1*))
             3.4 0.85 0.85
! peak number d 1006  F1=  1.980  F2=  3.957   null   null  d=  3.3
assi (( resid  34 and name HD2))
     (( resid  34 and name HB2))
             3.3 0.84 0.84
! peak number h 1015  F1=  2.170  F2=  3.957   null   null  d=  2.7
assi (( resid  34 and name HD2))
     (( resid  34 and name HG*))
             2.7 0.70 0.70
! peak number d 389  F1=  3.867  F2=  1.206   null   null  d=  3.1
assi (( resid  34 and name HD3))
     (( resid  33 and name HB3))
             3.1 0.79 0.79
! peak number d 386  F1=  3.868  F2=  0.949   null   null  d=  3.2
assi (( resid  34 and name HD3))
     (( resid  33 and name HD1*))
             3.2 0.81 0.81
! peak number d 459  F1=  3.863  F2=  2.167   null   null  d=  2.5
assi (( resid  34 and name HD3))
     (( resid  34 and name HG*))
             2.5 0.63 0.63
! peak number d 1097  F1=  3.862  F2=  0.828   null   null  d=  4.3
assi (( resid  34 and name HD3) or ( resid 21 and name HB2))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             4.3 1.07 1.07
! peak number d 329  F1=  3.347  F2=  4.797   null   null  d=  2.7
assi (( resid  35 and name HA))
     (( resid  35 and name HB2))
             2.7 0.69 0.69
! peak number d 781  F1=  3.345  F2=  -0.719   null   null  d=  3.6
assi (( resid  35 and name HB2))
     (( resid  11 and name HG2*))
             3.6 0.90 0.90
! peak number d 971  F1=  2.947  F2=  -0.717   null   null  d=  3.6
assi (( resid  35 and name HB3))
     (( resid  11 and name HG2*))
             3.6 0.90 0.90
! peak number d 1223  F1=  0.828  F2=  2.972   null   null  d=  4.1
assi (( resid  35 and name HB3) or ( resid 26 and name HE2))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             4.1 1.02 1.02
! peak number d 992  F1=  0.941  F2=  2.952   null   null  d=  4.3
assi (( resid  35 and name HB3) or ( resid 31 and name HE*))
     (( resid  36 and name HB3) or ( resid 33 and name HD1*))
             4.3 1.07 1.07
! peak number d 101  F1=  7.035  F2=  -0.719   null   null  d=  3.0
assi (( resid  35 and name HD*))
     (( resid  11 and name HG2*))
             3.0 0.76 0.76
! peak number d 122  F1=  7.036  F2=  4.266   null   null  d=  3.4
assi (( resid  35 and name HD*))
     (( resid  13 and name HA))
             3.4 0.86 0.86
! peak number d 957  F1=  7.035  F2=  2.049   null   null  d=  3.6
assi (( resid  35 and name HD*))
     (( resid  13 and name HB))
             3.6 0.90 0.90
! peak number d 106  F1=  7.016  F2=  1.070   null   null  d=  2.5
assi (( resid  35 and name HD*))
     (( resid  13 and name HD1*))
             2.5 0.64 0.64
! peak number d 296  F1=  1.547  F2=  7.048   null   null  d=  2.6
assi (( resid  35 and name HD*))
     (( resid  13 and name HG1*))
             2.6 0.66 0.66
! peak number d 754  F1=  7.039  F2=  2.737   null   null  d=  3.5
assi (( resid  35 and name HD*))
     (( resid  22 and name HB3))
             3.5 0.89 0.89
! peak number d 179  F1=  7.038  F2=  5.875   null   null  d=  3.1
assi (( resid  35 and name HD*))
     (( resid  23 and name HA))
             3.1 0.77 0.77
! peak number d 796  F1=  2.727  F2=  7.048   null   null  d=  3.5
assi (( resid  35 and name HD*))
     (( resid  23 and name HB3) or ( resid 22 and name HB3))
             3.5 0.86 0.86
! peak number d 1027  F1=  7.044  F2=  5.330   null   null  d=  4.1
assi (( resid  35 and name HD*))
     (( resid  24 and name HA))
             4.1 1.02 1.02
! peak number d 156  F1=  7.036  F2=  2.843   null   null  d=  2.9
assi (( resid  35 and name HD*))
     (( resid  24 and name HB*))
             2.9 0.72 0.72
! peak number d 1055  F1=  6.566  F2=  7.057   null   null  d=  3.3
assi (( resid  35 and name HD*))
     (( resid  24 and name HE*))
             3.3 0.82 0.82
! peak number d 933  F1=  7.038  F2=  4.915   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  34 and name HA))
             4.0 1.00 1.00
! peak number d 138  F1=  7.037  F2=  3.350   null   null  d=  2.6
assi (( resid  35 and name HD*))
     (( resid  35 and name HB2))
             2.6 0.65 0.65
! peak number d 152  F1=  7.037  F2=  2.961   null   null  d=  2.4
assi (( resid  35 and name HD*))
     (( resid  35 and name HB3))
             2.4 0.61 0.61
! peak number d 1025  F1=  7.029  F2=  4.549   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  36 and name HA))
             4.0 1.00 1.00
! peak number d 308  F1=  1.305  F2=  7.050   null   null  d=  3.1
assi (( resid  35 and name HD*))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.1 0.78 0.78
! peak number d 1325  F1=  2.325  F2=  7.046   null   null  d=  4.0
assi (( resid  35 and name HD*))
     (( resid  46 and name HD*) or ( resid 37 and name HB3))
             4.0 1.01 1.01
! peak number d 965  F1=  2.028  F2=  7.018   null   null  d=  3.1
assi (( resid  35 and name HD*) or ( resid 25 and name HE1))
     (( resid  30 and name HB2) or ( resid 13 and name HB))
             3.1 0.78 0.78
! peak number d 100  F1=  7.322  F2=  -0.719   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  11 and name HG2*))
             3.2 0.81 0.81
! peak number d 1047  F1=  7.322  F2=  1.833   null   null  d=  3.9
assi (( resid  35 and name HE*))
     (( resid  12 and name HB2))
             3.9 0.96 0.96
! peak number d 120  F1=  7.323  F2=  4.270   null   null  d=  2.9
assi (( resid  35 and name HE*))
     (( resid  13 and name HA))
             2.9 1.01 1.01
! peak number d 1164  F1=  1.061  F2=  7.323   null   null  d=  4.6
assi (( resid  35 and name HE*))
     (( resid  13 and name HD1*))
             4.6 1.15 1.15
! peak number d 166  F1=  7.325  F2=  3.564   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  22 and name HB2))
             3.2 0.80 0.80
! peak number d 158  F1=  7.322  F2=  2.727   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  22 and name HB3))
             3.2 0.79 0.79
! peak number d 206  F1=  5.320  F2=  7.329   null   null  d=  3.7
assi (( resid  35 and name HE*))
     (( resid  24 and name HA))
             3.7 0.91 0.91
! peak number d 155  F1=  7.324  F2=  2.840   null   null  d=  2.4
assi (( resid  35 and name HE*))
     (( resid  24 and name HB*))
             2.4 0.60 0.60
! peak number d 548  F1=  7.033  F2=  7.334   null   null  d=  2.1
assi (( resid  35 and name HE*))
     (( resid  35 and name HD*))
             2.1 0.53 0.53
! peak number d 546  F1=  7.323  F2=  6.965   null   null  d=  2.2
assi (( resid  35 and name HE*))
     (( resid  35 and name HZ))
             2.2 0.56 0.56
! peak number d 738  F1=  7.322  F2=  2.339   null   null  d=  3.5
assi (( resid  35 and name HE*))
     (( resid  37 and name HB3))
             3.5 0.89 0.89
! peak number d 1024  F1=  7.325  F2=  4.780   null   null  d=  4.2
assi (( resid  35 and name HE*))
     (( resid  46 and name HA))
             4.2 1.05 1.05
! peak number d 218  F1=  4.764  F2=  7.322   null   null  d=  3.0
assi (( resid  35 and name HE*))
     (( resid  46 and name HA) or ( resid 37 and name HA))
             3.0 0.75 0.75
! peak number d 961  F1=  7.330  F2=  1.568   null   null  d=  3.2
assi (( resid  35 and name HE*))
     (( resid  46 and name HB2) or ( resid 13 and name HG1*))
             3.2 0.80 0.80
! peak number d 80  F1=  7.329  F2=  1.326   null   null  d=  2.9
assi (( resid  35 and name HE*))
     (( resid  46 and name HB3))
             2.9 0.72 0.72
! peak number d 149  F1=  7.309  F2=  2.967   null   null  d=  3.2
assi (( resid  35 and name HE*) or ( resid 20 and name HE*))
     (( resid  35 and name HB3) or ( resid 18 and name HE*) or ( resid 17 and name HE*))
             3.2 0.80 0.80
! peak number d 752  F1=  7.339  F2=  3.747   null   null  d=  5.0
assi (( resid  35 and name HE*) or ( resid 27 and name HD1))
     (( resid  28 and name HA) or ( resid 22 and name HG))
             5.0 2.00 2.00
! peak number h 440  F1=  8.681  F2=  5.864   null   null  d=  3.5
assi (( resid  35 and name HN))
     (( resid  23 and name HA))
             3.5 0.88 0.88
! peak number h 1081  F1=  8.666  F2=  2.933   null   null  d=  4.3
assi (( resid  35 and name HN))
     (( resid  23 and name HB2))
             4.3 1.07 1.07
! peak number h 432  F1=  8.679  F2=  4.908   null   null  d=  2.3
assi (( resid  35 and name HN))
     (( resid  34 and name HA))
             2.3 0.57 0.57
! peak number h 647  F1=  8.676  F2=  1.984   null   null  d=  3.6
assi (( resid  35 and name HN))
     (( resid  34 and name HB2))
             3.6 0.90 0.90
! peak number h 646  F1=  8.674  F2=  1.882   null   null  d=  3.6
assi (( resid  35 and name HN))
     (( resid  34 and name HB3))
             3.6 0.91 0.91
! peak number h 630  F1=  8.674  F2=  4.787   null   null  d=  3.0
assi (( resid  35 and name HN))
     (( resid  35 and name HA))
             3.0 0.75 0.75
! peak number h 1082  F1=  2.960  F2=  8.669   null   null  d=  4.3
assi (( resid  35 and name HN))
     (( resid  35 and name HB3))
             4.3 1.07 1.07
! peak number h 213  F1=  8.678  F2=  7.030   null   null  d=  2.8
assi (( resid  35 and name HN))
     (( resid  35 and name HD*))
             2.8 0.71 0.71
! peak number h 764  F1=  8.685  F2=  8.475   null   null  d=  2.9
assi (( resid  35 and name HN))
     (( resid  36 and name HN) or ( resid 22 and name HN))
             2.9 0.72 0.72
! peak number d 1319  F1=  6.943  F2=  2.733   null   null  d=  3.7
assi (( resid  35 and name HZ))
     (( resid  22 and name HB3))
             3.7 0.93 0.93
! peak number h 164  F1=  6.953  F2=  2.324   null   null  d=  2.9
assi (( resid  35 and name HZ))
     (( resid  37 and name HB3))
             2.9 0.72 0.72
! peak number d 1235  F1=  6.953  F2=  4.271   null   null  d=  4.8
assi (( resid  35 and name HZ))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.8 1.20 1.20
! peak number d 79  F1=  6.950  F2=  1.333   null   null  d=  2.7
assi (( resid  35 and name HZ))
     (( resid  46 and name HB3))
             2.7 0.68 0.68
! peak number d 74  F1=  6.953  F2=  1.560   null   null  d=  3.0
assi (( resid  35 and name HZ) or ( resid 1 and name HH2))
     (( resid  46 and name HB2) or ( resid 30 and name HD2))
             3.0 0.74 0.74
! peak number d 746  F1=  6.936  F2=  0.331   null   null  d=  4.0
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  11 and name HG1*))
             4.0 1.00 1.00
! peak number d 102  F1=  6.939  F2=  -0.719   null   null  d=  2.9
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  11 and name HG2*))
             2.9 0.74 0.74
! peak number d 1051  F1=  6.932  F2=  1.816   null   null  d=  3.8
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  26 and name HB*) or ( resid 12 and name HB2))
             3.8 0.95 0.95
! peak number d 277  F1=  2.835  F2=  6.949   null   null  d=  2.2
assi (( resid  35 and name HZ) or ( resid 24 and name HD*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             2.2 0.55 0.55
! peak number d 1243  F1=  3.218  F2=  6.940   null   null  d=  4.1
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  30 and name HA) or ( resid 25 and name HB3) or ( resid 12 and name HD*) or ( resid 1 and name HB3))
             4.1 1.02 1.02
! peak number d 759  F1=  6.933  F2=  3.902   null   null  d=  3.5
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  4 and name HD2) or ( resid 11 and name HA))
             3.5 0.89 0.89
! peak number d 1166  F1=  1.062  F2=  6.946   null   null  d=  4.5
assi (( resid  35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
     (( resid  60 and name HG*) or ( resid 13 and name HD1*))
             4.5 1.50 1.50
! peak number d 538  F1=  4.527  F2=  4.279   null   null  d=  2.5
assi (( resid  36 and name HA))
     (( resid  21 and name HA))
             2.5 0.61 0.61
! peak number d 356  F1=  0.947  F2=  4.538   null   null  d=  2.6
assi (( resid  36 and name HA))
     (( resid  36 and name HB3))
             2.6 0.65 0.65
! peak number d 881  F1=  0.803  F2=  4.539   null   null  d=  4.7
assi (( resid  36 and name HA))
     (( resid  36 and name HD1*))
             4.7 1.18 1.18
! peak number d 379  F1=  4.526  F2=  0.685   null   null  d=  2.5
assi (( resid  36 and name HA))
     (( resid  36 and name HD2*))
             2.5 0.62 0.62
! peak number d 908  F1=  4.529  F2=  0.819   null   null  d=  3.2
assi (( resid  36 and name HA) or ( resid 26 and name HA))
     (( resid  36 and name HD1*) or ( resid 33 and name HD2*))
             3.2 0.80 0.80
! peak number d 715  F1=  0.947  F2=  1.794   null   null  d=  1.9
assi (( resid  36 and name HB2))
     (( resid  36 and name HB3))
             1.9 0.47 0.47
! peak number d 716  F1=  0.791  F2=  1.763   null   null  d=  2.6
assi (( resid  36 and name HB2))
     (( resid  36 and name HD1*))
             2.6 0.65 0.65
! peak number d 836  F1=  1.774  F2=  0.682   null   null  d=  3.2
assi (( resid  36 and name HB2))
     (( resid  36 and name HD2*))
             3.2 0.80 0.80
! peak number d 839  F1=  1.505  F2=  0.821   null   null  d=  2.4
assi (( resid  36 and name HG))
     (( resid  36 and name HD1*))
             2.4 0.60 0.60
! peak number d 833  F1=  1.507  F2=  0.682   null   null  d=  2.6
assi (( resid  36 and name HG))
     (( resid  36 and name HD2*))
             2.6 0.65 0.65
! peak number h 641  F1=  8.445  F2=  3.337   null   null  d=  3.3
assi (( resid  36 and name HN))
     (( resid  35 and name HB2))
             3.3 0.84 0.84
! peak number h 74  F1=  8.439  F2=  2.955   null   null  d=  2.7
assi (( resid  36 and name HN))
     (( resid  35 and name HB3))
             2.7 0.68 0.68
! peak number h 214  F1=  8.449  F2=  7.037   null   null  d=  3.2
assi (( resid  36 and name HN))
     (( resid  35 and name HD*))
             3.2 0.79 0.79
! peak number h 50  F1=  8.436  F2=  1.757   null   null  d=  2.7
assi (( resid  36 and name HN))
     (( resid  36 and name HB2))
             2.7 0.68 0.68
! peak number h 643  F1=  8.448  F2=  0.951   null   null  d=  3.7
assi (( resid  36 and name HN))
     (( resid  36 and name HB3))
             3.7 1.10 1.10
! peak number h 1054  F1=  8.447  F2=  0.801   null   null  d=  3.8
assi (( resid  36 and name HN))
     (( resid  36 and name HD1*))
             3.8 0.95 0.95
! peak number h 651  F1=  8.438  F2=  1.505   null   null  d=  3.0
assi (( resid  36 and name HN))
     (( resid  36 and name HG))
             3.0 0.75 0.75
! peak number h 565  F1=  0.680  F2=  8.467   null   null  d=  3.3
assi (( resid  36 and name HN) or ( resid 22 and name HN))
     (( resid  36 and name HD2*))
             3.3 0.82 0.82
! peak number h 770  F1=  8.159  F2=  8.460   null   null  d=  2.8
assi (( resid  36 and name HN) or ( resid 22 and name HN))
     (( resid  37 and name HN))
             2.8 0.70 0.70
! peak number d 558  F1=  2.804  F2=  2.334   null   null  d=  2.6
assi (( resid  37 and name HB2))
     (( resid  37 and name HB3))
             2.6 0.65 0.65
! peak number d 1035  F1=  6.990  F2=  4.280   null   null  d=  4.0
assi (( resid  37 and name HD*))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.0 1.00 1.00
! peak number d 758  F1=  6.989  F2=  3.839   null   null  d=  3.2
assi (( resid  37 and name HD*))
     (( resid  42 and name HA2))
             3.2 0.79 0.79
! peak number d 1253  F1=  6.993  F2=  3.057   null   null  d=  3.9
assi (( resid  37 and name HD*) or ( resid 25 and name HE1))
     (( resid  54 and name HD2) or ( resid 39 and name HA2))
             3.9 0.97 0.97
! peak number d 1255  F1=  3.544  F2=  6.958   null   null  d=  4.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  22 and name HB2))
             4.0 1.00 1.00
! peak number d 290  F1=  2.326  F2=  6.969   null   null  d=  2.8
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  37 and name HB3))
             2.8 0.69 0.69
! peak number d 1111  F1=  4.261  F2=  6.965   null   null  d=  4.1
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  42 and name HA1) or ( resid 13 and name HA))
             4.1 1.02 1.02
! peak number d 297  F1=  1.552  F2=  6.959   null   null  d=  3.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HB2))
             3.0 0.75 0.75
! peak number d 310  F1=  1.317  F2=  6.961   null   null  d=  2.7
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HB3))
             2.7 0.68 0.68
! peak number d 1161  F1=  1.172  F2=  6.960   null   null  d=  3.2
assi (( resid  37 and name HD*) or ( resid 35 and name HZ))
     (( resid  46 and name HG*))
             3.2 0.80 0.80
! peak number h 143  F1=  6.955  F2=  1.556   null   null  d=  3.1
assi (( resid  37 and name HD*) or ( resid 35 and name HZ) or ( resid 1 and name HH2))
     (( resid  46 and name HB2) or ( resid 30 and name HD2))
             3.1 0.78 0.78
! peak number d 921  F1=  4.775  F2=  6.955   null   null  d=  4.0
assi (( resid  37 and name HD*) or ( resid 35 and name HZ) or ( resid 24 and name HD*))
     (( resid  46 and name HA) or ( resid 35 and name HA))
             4.0 1.00 1.00
! peak number d 963  F1=  2.814  F2=  7.145   null   null  d=  3.7
assi (( resid  37 and name HE*))
     (( resid  37 and name HB2))
             3.7 0.93 0.93
! peak number d 930  F1=  7.138  F2=  4.530   null   null  d=  3.7
assi (( resid  37 and name HE*))
     (( resid  39 and name HA1))
             3.7 0.93 0.93
! peak number d 150  F1=  7.139  F2=  3.047   null   null  d=  2.8
assi (( resid  37 and name HE*))
     (( resid  39 and name HA2))
             2.8 0.70 0.70
! peak number d 121  F1=  7.141  F2=  4.280   null   null  d=  3.2
assi (( resid  37 and name HE*))
     (( resid  42 and name HA1))
             3.2 0.81 0.81
! peak number d 164  F1=  7.141  F2=  3.841   null   null  d=  2.9
assi (( resid  37 and name HE*))
     (( resid  42 and name HA2))
             2.9 0.73 0.73
! peak number h 656  F1=  8.160  F2=  4.268   null   null  d=  3.7
assi (( resid  37 and name HN))
     (( resid  21 and name HA) or ( resid 19 and name HA) or ( resid 13 and name HA))
             3.7 0.93 0.93
! peak number h 101  F1=  8.157  F2=  4.531   null   null  d=  2.3
assi (( resid  37 and name HN))
     (( resid  36 and name HA))
             2.3 0.57 0.57
! peak number h 1056  F1=  8.150  F2=  0.941   null   null  d=  3.5
assi (( resid  37 and name HN))
     (( resid  36 and name HB3))
             3.5 0.88 0.88
! peak number h 854  F1=  8.160  F2=  0.673   null   null  d=  3.8
assi (( resid  37 and name HN))
     (( resid  36 and name HD2*))
             3.8 0.94 0.94
! peak number h 345  F1=  2.799  F2=  8.156   null   null  d=  2.5
assi (( resid  37 and name HN))
     (( resid  37 and name HB2))
             2.5 0.61 0.61
! peak number d 845  F1=  4.455  F2=  4.249   null   null  d=  2.7
assi (( resid  38 and name HA))
     (( resid  19 and name HA))
             2.7 0.70 0.70
! peak number d 438  F1=  4.457  F2=  3.519   null   null  d=  2.6
assi (( resid  38 and name HA))
     (( resid  38 and name HB3))
             2.6 0.65 0.65
! peak number d 504  F1=  3.509  F2=  3.818   null   null  d=  1.9
assi (( resid  38 and name HB2))
     (( resid  38 and name HB3))
             1.9 0.46 0.46
! peak number h 635  F1=  8.341  F2=  4.460   null   null  d=  2.9
assi (( resid  38 and name HN))
     (( resid  38 and name HA))
             2.9 0.72 0.72
! peak number h 324  F1=  3.518  F2=  8.342   null   null  d=  2.7
assi (( resid  38 and name HN))
     (( resid  38 and name HB3))
             2.7 0.69 0.69
! peak number h 103  F1=  8.343  F2=  4.384   null   null  d=  3.0
assi (( resid  38 and name HN))
     (( resid  39 and name HN))
             3.0 0.75 0.75
! peak number d 433  F1=  4.517  F2=  3.060   null   null  d=  2.1
assi (( resid  39 and name HA1))
     (( resid  39 and name HA2))
             2.1 0.99 0.99
! peak number h 1038  F1=  3.047  F2=  4.403   null   null  d=  2.5
assi (( resid  39 and name HN))
     (( resid  39 and name HA2))
             2.5 0.62 0.62
! peak number d 391  F1=  4.278  F2=  0.752   null   null  d=  3.2
assi (( resid  4 and name HA))
     (( resid  4 and name HB2))
             3.2 0.81 0.81
! peak number d 409  F1=  4.279  F2=  1.941   null   null  d=  2.5
assi (( resid  4 and name HA))
     (( resid  4 and name HB3))
             2.5 0.64 0.64
! peak number d 1078  F1=  4.278  F2=  3.694   null   null  d=  3.0
assi (( resid  4 and name HA))
     (( resid  4 and name HD3))
             3.0 0.75 0.75
! peak number d 708  F1=  0.729  F2=  1.937   null   null  d=  2.2
assi (( resid  4 and name HB3))
     (( resid  4 and name HB2))
             2.2 0.55 0.55
! peak number d 1197  F1=  3.677  F2=  3.903   null   null  d=  1.9
assi (( resid  4 and name HD2))
     (( resid  4 and name HD3))
             1.9 0.47 0.47
! peak number d 468  F1=  3.881  F2=  1.905   null   null  d=  2.7
assi (( resid  4 and name HD2))
     (( resid  4 and name HG2))
             2.7 0.67 0.67
! peak number d 640  F1=  1.586  F2=  3.898   null   null  d=  2.2
assi (( resid  4 and name HD2))
     (( resid  4 and name HG3))
             2.2 0.55 0.55
! peak number d 451  F1=  3.883  F2=  2.485   null   null  d=  3.4
assi (( resid  4 and name HD2))
     (( resid  6 and name HB2) or ( resid 3 and name HB2))
             3.4 0.85 0.85
! peak number d 426  F1=  3.867  F2=  1.599   null   null  d=  2.5
assi (( resid  4 and name HD2) or ( resid 34 and name HD3))
     (( resid  4 and name HG3) or ( resid 33 and name HB2))
             2.5 0.62 0.62
! peak number d 387  F1=  3.891  F2=  0.751   null   null  d=  3.4
assi (( resid  4 and name HD2) or ( resid 34 and name HD3))
     (( resid  50 and name HD1*) or ( resid 4 and name HB2))
             3.4 0.85 0.85
! peak number d 1374  F1=  1.779  F2=  3.690   null   null  d=  4.1
assi (( resid  4 and name HD3))
     (( resid  3 and name HB3) or ( resid 2 and name HB2))
             4.1 1.02 1.02
! peak number d 611  F1=  1.587  F2=  3.689   null   null  d=  3.4
assi (( resid  4 and name HD3))
     (( resid  4 and name HG3))
             3.4 0.84 0.84
! peak number d 467  F1=  3.680  F2=  1.903   null   null  d=  2.4
assi (( resid  4 and name HD3) or ( resid 10 and name HD3))
     (( resid  4 and name HG2) or ( resid 10 and name HG3))
             2.4 0.60 0.60
! peak number d 835  F1=  1.584  F2=  0.744   null   null  d=  3.0
assi (( resid  4 and name HG3))
     (( resid  4 and name HB2))
             3.0 0.76 0.76
! peak number d 1386  F1=  3.954  F2=  4.918   null   null  d=  3.3
assi (( resid  40 and name HA) or ( resid 34 and name HA))
     (( resid  41 and name HA2) or ( resid 34 and name HD2))
             3.3 0.82 0.82
! peak number h 126  F1=  7.534  F2=  2.616   null   null  d=  3.0
assi (( resid  40 and name HN))
     (( resid  16 and name HB3))
             3.0 0.76 0.76
! peak number h 664  F1=  7.531  F2=  4.393   null   null  d=  2.9
assi (( resid  40 and name HN))
     (( resid  39 and name HN))
             2.9 0.72 0.72
! peak number d 1074  F1=  4.098  F2=  1.590   null   null  d=  3.5
assi (( resid  41 and name HA1) or ( resid 3 and name HA))
     (( resid  4 and name HG3) or ( resid 2 and name HB3) or ( resid 12 and name HG3))
             3.5 0.88 0.88
! peak number h 428  F1=  8.816  F2=  4.890   null   null  d=  2.7
assi (( resid  41 and name HN))
     (( resid  40 and name HA))
             2.7 0.68 0.68
! peak number h 1097  F1=  8.811  F2=  3.221   null   null  d=  4.1
assi (( resid  41 and name HN))
     (( resid  40 and name HB*))
             4.1 1.02 1.02
! peak number h 30  F1=  8.815  F2=  4.069   null   null  d=  3.5
assi (( resid  41 and name HN))
     (( resid  41 and name HA1))
             3.5 0.88 0.88
! peak number h 32  F1=  8.813  F2=  3.959   null   null  d=  2.9
assi (( resid  41 and name HN))
     (( resid  41 and name HA2))
             2.9 0.71 0.71
! peak number h 606  F1=  8.814  F2=  8.517   null   null  d=  2.7
assi (( resid  41 and name HN))
     (( resid  42 and name HN))
             2.7 0.68 0.68
! peak number d 1077  F1=  4.274  F2=  3.200   null   null  d=  3.3
assi (( resid  42 and name HA1))
     (( resid  12 and name HD*))
             3.3 0.82 0.82
! peak number d 508  F1=  3.825  F2=  4.287   null   null  d=  1.9
assi (( resid  42 and name HA1))
     (( resid  42 and name HA2))
             1.9 0.47 0.47
! peak number d 416  F1=  4.250  F2=  1.823   null   null  d=  2.3
assi (( resid  42 and name HA1) or ( resid 19 and name HA))
     (( resid  19 and name HB2) or ( resid 12 and name HB2))
             2.3 0.59 0.59
! peak number d 1079  F1=  4.258  F2=  2.821   null   null  d=  4.1
assi (( resid  42 and name HA1) or ( resid 19 and name HA) or ( resid 13 and name HA))
     (( resid  37 and name HB2))
             4.1 1.02 1.02
! peak number d 1390  F1=  3.189  F2=  4.286   null   null  d=  3.3
assi (( resid  42 and name HA1) or ( resid 21 and name HA))
     (( resid  20 and name HB2) or ( resid 12 and name HD*))
             3.3 0.82 0.82
! peak number d 453  F1=  3.807  F2=  2.335   null   null  d=  3.5
assi (( resid  42 and name HA2) or ( resid 10 and name HD2))
     (( resid  46 and name HD*) or ( resid 10 and name HB*))
             3.5 0.88 0.88
! peak number h 215  F1=  8.521  F2=  6.991   null   null  d=  3.1
assi (( resid  42 and name HN))
     (( resid  37 and name HD*))
             3.1 0.78 0.78
! peak number h 612  F1=  8.522  F2=  7.144   null   null  d=  3.5
assi (( resid  42 and name HN))
     (( resid  37 and name HE*))
             3.5 0.86 0.86
! peak number h 425  F1=  8.525  F2=  4.073   null   null  d=  3.1
assi (( resid  42 and name HN))
     (( resid  41 and name HA1))
             3.1 0.78 0.78
! peak number h 424  F1=  8.520  F2=  3.965   null   null  d=  3.5
assi (( resid  42 and name HN))
     (( resid  41 and name HA2))
             3.5 0.88 0.88
! peak number h 316  F1=  3.834  F2=  8.512   null   null  d=  2.6
assi (( resid  42 and name HN))
     (( resid  42 and name HA2))
             2.6 0.66 0.66
! peak number d 23  F1=  4.820  F2=  2.762   null   null  d=  2.6
assi (( resid  43 and name HA))
     (( resid  43 and name HB3))
             2.6 0.65 0.65
! peak number d 902  F1=  4.823  F2=  1.023   null   null  d=  4.2
assi (( resid  43 and name HA))
     (( resid  44 and name HB*))
             4.2 1.05 1.05
! peak number d 12  F1=  4.820  F2=  3.472   null   null  d=  2.4
assi (( resid  43 and name HA) or ( resid 16 and name HA))
     (( resid  43 and name HB2) or ( resid 16 and name HB2))
             2.4 0.60 0.60
! peak number d 575  F1=  2.753  F2=  3.460   null   null  d=  1.9
assi (( resid  43 and name HB2))
     (( resid  43 and name HB3))
             1.9 0.47 0.47
! peak number d 1363  F1=  1.528  F2=  2.763   null   null  d=  4.7
assi (( resid  43 and name HB3))
     (( resid  12 and name HB3))
             4.7 1.18 1.18
! peak number d 1364  F1=  2.739  F2=  1.532   null   null  d=  4.1
assi (( resid  43 and name HB3) or ( resid 22 and name HB3))
     (( resid  46 and name HB2) or ( resid 36 and name HG) or ( resid 12 and name HB3))
             4.1 1.02 1.02
! peak number h 799  F1=  7.975  F2=  3.688   null   null  d=  3.9
assi (( resid  43 and name HD21))
     (( resid  10 and name HD3))
             3.9 0.97 0.97
! peak number h 876  F1=  1.633  F2=  7.973   null   null  d=  3.9
assi (( resid  43 and name HD21))
     (( resid  12 and name HG2))
             3.9 0.97 0.97
! peak number h 458  F1=  7.946  F2=  1.565   null   null  d=  3.1
assi (( resid  43 and name HD21))
     (( resid  12 and name HG3))
             3.1 0.79 0.79
! peak number h 443  F1=  7.976  F2=  3.494   null   null  d=  3.1
assi (( resid  43 and name HD21))
     (( resid  43 and name HB2))
             3.1 0.78 0.78
! peak number h 346  F1=  2.764  F2=  7.975   null   null  d=  2.7
assi (( resid  43 and name HD21))
     (( resid  43 and name HB3))
             2.7 0.68 0.68
! peak number h 652  F1=  8.444  F2=  1.613   null   null  d=  3.1
assi (( resid  43 and name HD22))
     (( resid  12 and name HG3))
             3.1 0.78 0.78
! peak number h 640  F1=  8.443  F2=  2.765   null   null  d=  3.9
assi (( resid  43 and name HD22))
     (( resid  43 and name HB3))
             3.9 0.97 0.97
! peak number h 221  F1=  8.450  F2=  7.971   null   null  d=  2.0
assi (( resid  43 and name HD22))
     (( resid  43 and name HD21))
             2.0 0.50 0.50
! peak number h 558  F1=  2.271  F2=  8.433   null   null  d=  3.1
assi (( resid  43 and name HD22))
     (( resid  9 and name HG2))
             3.1 0.78 0.78
! peak number h 450  F1=  8.438  F2=  2.233   null   null  d=  3.0
assi (( resid  43 and name HD22))
     (( resid  9 and name HG2) or ( resid 9 and name HB*))
             3.0 0.75 0.75
! peak number h 1061  F1=  1.843  F2=  8.369   null   null  d=  3.7
assi (( resid  43 and name HN))
     (( resid  12 and name HB2))
             3.7 0.93 0.93
! peak number h 918  F1=  1.532  F2=  8.369   null   null  d=  3.6
assi (( resid  43 and name HN))
     (( resid  12 and name HB3))
             3.6 0.90 0.90
! peak number h 99  F1=  8.364  F2=  4.275   null   null  d=  2.5
assi (( resid  43 and name HN))
     (( resid  42 and name HA1))
             2.5 0.62 0.62
! peak number h 633  F1=  8.375  F2=  4.821   null   null  d=  2.6
assi (( resid  43 and name HN))
     (( resid  43 and name HA))
             2.6 0.65 0.65
! peak number h 317  F1=  3.830  F2=  8.365   null   null  d=  2.5
assi (( resid  43 and name HN) or ( resid 38 and name HN))
     (( resid  42 and name HA2) or ( resid 38 and name HB2))
             2.5 0.62 0.62
! peak number d 384  F1=  4.084  F2=  1.026   null   null  d=  2.6
assi (( resid  44 and name HA))
     (( resid  44 and name HB*))
             2.6 0.66 0.66
! peak number d 1393  F1=  3.493  F2=  4.107   null   null  d=  3.7
assi (( resid  44 and name HA) or ( resid 3 and name HA))
     (( resid  43 and name HB2) or ( resid 3 and name HD2))
             3.7 0.93 0.93
! peak number d 448  F1=  4.097  F2=  3.503   null   null  d=  3.3
assi (( resid  44 and name HA) or ( resid 41 and name HA1) or ( resid 3 and name HA) or ( resid 15 and name HB2))
     (( resid  43 and name HB2) or ( resid 38 and name HB3) or ( resid 3 and name HD2))
             3.3 0.82 0.82
! peak number d 431  F1=  4.649  F2=  3.131   null   null  d=  2.7
assi (( resid  45 and name HA))
     (( resid  45 and name HB2))
             2.7 0.68 0.68
! peak number d 435  F1=  4.652  F2=  2.888   null   null  d=  2.6
assi (( resid  45 and name HA))
     (( resid  45 and name HB3))
             2.6 0.65 0.65
! peak number d 383  F1=  4.660  F2=  0.997   null   null  d=  3.1
assi (( resid  45 and name HA) or ( resid 31 and name HA))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*) or ( resid 44 and name HB*))
             3.1 0.78 0.78
! peak number d 552  F1=  2.867  F2=  2.219   null   null  d=  3.1
assi (( resid  45 and name HB3))
     (( resid  9 and name HB*))
             3.1 0.78 0.78
! peak number h 542  F1=  2.841  F2=  8.345   null   null  d=  3.2
assi (( resid  45 and name HD21))
     (( resid  24 and name HB*))
             3.2 0.3 0.3
! peak number h 220  F1=  8.344  F2=  7.952   null   null  d=  2.0
assi (( resid  45 and name HD21))
     (( resid  45 and name HD22))
             2.0 0.50 0.50
! peak number h 298  F1=  6.937  F2=  8.339   null   null  d=  2.9
assi (( resid  45 and name HD21))
     (( resid  24 and name HD*))
             2.9 0.3 0.3
! peak number h 56  F1=  8.342  F2=  1.297   null   null  d=  3.4
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.4 0.85 0.85
! peak number h 970  F1=  7.141  F2=  8.339   null   null  d=  3.8
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  47 and name HD*) or ( resid 37 and name HE*))
             3.8 0.95 0.95
! peak number h 768  F1=  8.340  F2=  7.312   null   null  d=  4.0
assi (( resid  45 and name HD21) or ( resid 38 and name HN))
     (( resid  5 and name HH2) or ( resid 35 and name HE*) or ( resid 15 and name HN))
             4.0 1.00 1.00
! peak number h 419  F1=  7.964  F2=  7.233   null   null  d=  3.5
assi (( resid  45 and name HD22))
     (( resid  9 and name HN))
             3.5 0.3 0.3
! peak number h 541  F1=  2.872  F2=  7.960   null   null  d=  2.5
assi (( resid  45 and name HD22))
     (( resid  45 and name HB3))
             2.5 0.3 0.3
! peak number h 340  F1=  3.131  F2=  7.964   null   null  d=  2.5
assi (( resid  45 and name HD22))
     (( resid  45 and name HB2))
             2.5 0.3 0.3
! peak number h xxx  F1=  2.872  F2=  7.960   null   null  d=  3.0
assi (( resid  45 and name HD22))
     (( resid  45 and name OD1))
             3.0 0.3 0.3
! peak number h xxx  F1=  2.872  F2=  7.960   null   null  d=  2.3
assi (( resid  45 and name HD21))
     (( resid  45 and name OD1))
             2.3 0.3 0.3
! peak number h 856  F1=  7.547  F2=  1.017   null   null  d=  4.0
assi (( resid  45 and name HN))
     (( resid  44 and name HB*))
             4.0 1.00 1.00
! peak number h 119  F1=  7.558  F2=  3.120   null   null  d=  3.0
assi (( resid  45 and name HN))
     (( resid  45 and name HB2))
             3.0 0.76 0.76
! peak number h 123  F1=  7.551  F2=  2.881   null   null  d=  3.0
assi (( resid  45 and name HN))
     (( resid  45 and name HB3))
             3.0 0.74 0.74
! peak number d 1209  F1=  1.553  F2=  4.787   null   null  d=  3.1
assi (( resid  46 and name HA))
     (( resid  46 and name HB2))
             3.1 0.77 0.77
! peak number d 1188  F1=  1.322  F2=  4.803   null   null  d=  2.6
assi (( resid  46 and name HA))
     (( resid  46 and name HB3))
             2.6 0.65 0.65
! peak number d 903  F1=  4.763  F2=  1.154   null   null  d=  3.0
assi (( resid  46 and name HA))
     (( resid  46 and name HG*))
             3.0 0.75 0.75
! peak number d 710  F1=  1.156  F2=  2.341   null   null  d=  2.6
assi (( resid  46 and name HD*))
     (( resid  46 and name HG*))
             2.6 0.65 0.65
! peak number h 197  F1=  6.694  F2=  2.325   null   null  d=  2.7
assi (( resid  46 and name HE))
     (( resid  46 and name HD*) or ( resid 37 and name HB3))
             2.7 0.66 0.66
! peak number h 277  F1=  6.688  F2=  6.119   null   null  d=  2.6
assi (( resid  46 and name HE))
     (( resid  46 and name HH*))
             2.6 0.65 0.65
! peak number h 185  F1=  6.690  F2=  1.310   null   null  d=  3.2
assi (( resid  46 and name HE) or ( resid 19 and name HE21))
     (( resid  46 and name HB3) or ( resid 13 and name HG2*))
             3.2 0.80 0.80
! peak number h 713  F1=  2.324  F2=  6.119   null   null  d=  3.2
assi (( resid  46 and name HH*))
     (( resid  46 and name HD*))
             3.2 0.81 0.81
! peak number h 939  F1=  2.835  F2=  6.556   null   null  d=  5.0
assi (( resid  46 and name HH*) or ( resid 24 and name HE*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             5.0 1.25 1.25
! peak number h 183  F1=  6.562  F2=  1.580   null   null  d=  2.7
assi (( resid  46 and name HH*))
     (( resid  12 and name HG3))
             2.7 0.68 0.68
! peak number h 849  F1=  6.403  F2=  1.552   null   null  d=  3.5
assi (( resid  46 and name HN))
     (( resid  46 and name HB2))
             3.5 0.88 0.88
! peak number h 186  F1=  6.399  F2=  1.310   null   null  d=  3.3
assi (( resid  46 and name HN))
     (( resid  46 and name HB3))
             3.3 0.82 0.82
! peak number d 16  F1=  4.977  F2=  3.354   null   null  d=  2.5
assi (( resid  47 and name HA))
     (( resid  47 and name HB2))
             2.5 0.64 0.64
! peak number d 33  F1=  4.978  F2=  2.588   null   null  d=  2.9
assi (( resid  47 and name HA))
     (( resid  47 and name HB3))
             2.9 0.72 0.72
! peak number d 1337  F1=  4.977  F2=  2.338   null   null  d=  3.9
assi (( resid  47 and name HA))
     (( resid  52 and name HG3) or ( resid 48 and name HB3) or ( resid 46 and name HD*))
             3.9 0.97 0.97
! peak number d 1068  F1=  4.981  F2=  2.171   null   null  d=  4.1
assi (( resid  47 and name HA))
     (( resid  53 and name HA) or ( resid 52 and name HB*))
             4.1 1.02 1.02
! peak number d 1205  F1=  2.712  F2=  3.350   null   null  d=  2.8
assi (( resid  47 and name HB2))
     (( resid  23 and name HB3))
             2.8 0.70 0.70
! peak number d 551  F1=  3.336  F2=  2.336   null   null  d=  3.4
assi (( resid  47 and name HB2))
     (( resid  52 and name HG3))
             3.4 0.85 0.85
! peak number d 580  F1=  2.173  F2=  3.355   null   null  d=  2.4
assi (( resid  47 and name HB2) or ( resid 3 and name HD3))
     (( resid  52 and name HB*) or ( resid 3 and name HG2))
             2.4 0.60 0.60
! peak number d 207  F1=  5.318  F2=  7.120   null   null  d=  3.0
assi (( resid  47 and name HD*))
     (( resid  24 and name HA))
             3.0 0.74 0.74
! peak number d 916  F1=  4.974  F2=  7.138   null   null  d=  3.2
assi (( resid  47 and name HD*))
     (( resid  47 and name HA))
             3.2 0.79 0.79
! peak number d 267  F1=  3.335  F2=  7.139   null   null  d=  3.3
assi (( resid  47 and name HD*))
     (( resid  47 and name HB2))
             3.3 0.82 0.82
! peak number d 286  F1=  2.573  F2=  7.139   null   null  d=  3.2
assi (( resid  47 and name HD*))
     (( resid  47 and name HB3))
             3.2 0.79 0.79
! peak number d 1323  F1=  2.186  F2=  7.118   null   null  d=  3.1
assi (( resid  47 and name HD*))
     (( resid  53 and name HA))
             3.1 0.78 0.78
! peak number d 755  F1=  7.140  F2=  2.819   null   null  d=  3.4
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  37 and name HB2) or ( resid 24 and name HB*))
             3.4 0.85 0.85
! peak number d 1315  F1=  1.309  F2=  7.134   null   null  d=  4.2
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  46 and name HB3))
             4.2 1.05 1.05
! peak number d 291  F1=  2.327  F2=  7.149   null   null  d=  3.3
assi (( resid  47 and name HD*) or ( resid 37 and name HE*))
     (( resid  52 and name HG3) or ( resid 46 and name HD*))
             3.3 0.82 0.82
! peak number d 1414  F1=  7.948  F2=  4.157   null   null  d=  4.9
assi (( resid  47 and name HE*))
     (( resid  56 and name HA))
             4.9 1.23 1.23
! peak number d 1307  F1=  1.747  F2=  7.954   null   null  d=  2.9
assi (( resid  47 and name HE*))
     (( resid  56 and name HD3))
             2.9 0.99 0.99
! peak number h 108  F1=  9.488  F2=  9.145   null   null  d=  2.7
assi (( resid  47 and name HN))
     (( resid  23 and name HN))
             2.7 0.69 0.69
! peak number h 777  F1=  7.319  F2=  9.487   null   null  d=  4.1
assi (( resid  47 and name HN))
     (( resid  35 and name HE*))
             4.1 1.40 1.40
! peak number h 836  F1=  9.483  F2=  1.319   null   null  d=  3.3
assi (( resid  47 and name HN))
     (( resid  46 and name HB3))
             3.3 0.82 0.82
! peak number h 1041  F1=  9.481  F2=  1.158   null   null  d=  3.4
assi (( resid  47 and name HN))
     (( resid  46 and name HG*))
             3.4 0.85 0.85
! peak number h 412  F1=  9.490  F2=  4.983   null   null  d=  2.8
assi (( resid  47 and name HN))
     (( resid  47 and name HA))
             2.8 0.70 0.70
! peak number h 23  F1=  9.485  F2=  2.565   null   null  d=  3.0
assi (( resid  47 and name HN))
     (( resid  47 and name HB3))
             3.0 0.74 0.74
! peak number h 946  F1=  9.484  F2=  7.122   null   null  d=  3.2
assi (( resid  47 and name HN))
     (( resid  47 and name HD*))
             3.2 0.80 0.80
! peak number d 412  F1=  4.565  F2=  2.371   null   null  d=  2.5
assi (( resid  48 and name HA))
     (( resid  48 and name HB2))
             2.5 0.64 0.64
! peak number d 532  F1=  2.328  F2=  4.568   null   null  d=  3.2
assi (( resid  48 and name HA))
     (( resid  48 and name HB3))
             3.2 0.80 0.80
! peak number d 1217  F1=  2.632  F2=  4.564   null   null  d=  3.8
assi (( resid  48 and name HA))
     (( resid  48 and name HG2))
             3.8 0.94 0.94
! peak number d 1218  F1=  2.557  F2=  4.576   null   null  d=  3.6
assi (( resid  48 and name HA))
     (( resid  48 and name HG3))
             3.6 1.00 1.00
! peak number h 232  F1=  6.836  F2=  7.426   null   null  d=  1.9
assi (( resid  48 and name HE22))
     (( resid  48 and name HE21))
             1.9 0.46 0.46
! peak number h 692  F1=  7.438  F2=  2.533   null   null  d=  3.6
assi (( resid  48 and name HE22))
     (( resid  52 and name HG2))
             3.6 0.90 0.90
! peak number h 757  F1=  2.543  F2=  7.435   null   null  d=  3.4
assi (( resid  48 and name HE22))
     (( resid  52 and name HG2) or ( resid 48 and name HG3))
             3.4 0.85 0.85
! peak number h 462  F1=  7.414  F2=  2.171   null   null  d=  3.3
assi (( resid  48 and name HE22) or ( resid 23 and name HE*))
     (( resid  52 and name HB*) or ( resid 34 and name HG*))
             3.3 0.82 0.82
! peak number h 1076  F1=  7.407  F2=  1.273   null   null  d=  4.4
assi (( resid  48 and name HE22) or ( resid 23 and name HE*) or ( resid 19 and name HE22))
     (( resid  49 and name HG2*) or ( resid 18 and name HG2))
             4.4 1.10 1.10
! peak number h 36  F1=  9.413  F2=  4.977   null   null  d=  2.4
assi (( resid  48 and name HN))
     (( resid  47 and name HA))
             2.4 0.60 0.60
! peak number h 18  F1=  9.412  F2=  3.330   null   null  d=  3.1
assi (( resid  48 and name HN))
     (( resid  47 and name HB2))
             3.1 0.78 0.78
! peak number h 416  F1=  9.419  F2=  4.567   null   null  d=  3.0
assi (( resid  48 and name HN))
     (( resid  48 and name HA))
             3.0 0.75 0.75
! peak number h 791  F1=  9.410  F2=  2.644   null   null  d=  3.5
assi (( resid  48 and name HN))
     (( resid  48 and name HG2))
             3.5 0.89 0.89
! peak number h 423  F1=  9.413  F2=  2.564   null   null  d=  3.2
assi (( resid  48 and name HN))
     (( resid  48 and name HG3) or ( resid 47 and name HB3))
             3.2 0.80 0.80
! peak number h 26  F1=  9.413  F2=  7.330   null   null  d=  2.8
assi (( resid  48 and name HN))
     (( resid  49 and name HN))
             2.8 0.70 0.70
! peak number h 1059  F1=  2.126  F2=  9.408   null   null  d=  3.7
assi (( resid  48 and name HN))
     (( resid  52 and name HB*))
             3.7 0.93 0.93
! peak number h 333  F1=  2.352  F2=  9.410   null   null  d=  2.5
assi (( resid  48 and name HN))
     (( resid  52 and name HG3))
             2.5 0.62 0.62
! peak number h 24  F1=  9.415  F2=  2.345   null   null  d=  2.6
assi (( resid  48 and name HN))
     (( resid  52 and name HG3) or ( resid 48 and name HB3))
             2.6 0.65 0.65
! peak number d 45  F1=  4.820  F2=  1.280   null   null  d=  2.6
assi (( resid  49 and name HA))
     (( resid  49 and name HG2*))
             2.6 0.65 0.65
! peak number d 901  F1=  4.818  F2=  0.673   null   null  d=  4.0
assi (( resid  49 and name HA) or ( resid 35 and name HA))
     (( resid  50 and name HG2*) or ( resid 50 and name HB) or ( resid 36 and name HD2*))
             4.0 1.00 1.00
! peak number d 430  F1=  4.446  F2=  1.288   null   null  d=  2.3
assi (( resid  49 and name HB))
     (( resid  49 and name HG2*))
             2.3 0.57 0.57
! peak number d 906  F1=  4.446  F2=  0.679   null   null  d=  3.6
assi (( resid  49 and name HB))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             3.6 0.90 0.90
! peak number h 485  F1=  7.333  F2=  3.331   null   null  d=  3.2
assi (( resid  49 and name HN))
     (( resid  47 and name HB2))
             3.2 0.81 0.81
! peak number h 804  F1=  7.335  F2=  2.561   null   null  d=  3.8
assi (( resid  49 and name HN))
     (( resid  48 and name HG3) or ( resid 47 and name HB3))
             3.8 0.95 0.95
! peak number h 161  F1=  7.335  F2=  2.156   null   null  d=  2.8
assi (( resid  49 and name HN))
     (( resid  52 and name HB*))
             2.8 0.70 0.70
! peak number h 146  F1=  7.322  F2=  1.287   null   null  d=  2.6
assi (( resid  49 and name HN) or ( resid 20 and name HE*))
     (( resid  49 and name HG2*) or ( resid 18 and name HG2))
             2.6 0.65 0.65
! peak number h 463  F1=  7.333  F2=  2.334   null   null  d=  3.3
assi (( resid  49 and name HN) or ( resid 35 and name HE*))
     (( resid  48 and name HB3) or ( resid 37 and name HB3))
             3.3 0.82 0.82
! peak number h 398  F1=  1.299  F2=  7.318   null   null  d=  2.6
assi (( resid  49 and name HN) or ( resid 35 and name HE*) or ( resid 20 and name HE*))
     (( resid  49 and name HG2*) or ( resid 46 and name HB3) or ( resid 18 and name HG2))
             2.6 0.65 0.65
! peak number d 444  F1=  4.036  F2=  3.234   null   null  d=  2.6
assi (( resid  5 and name HA))
     (( resid  5 and name HB2))
             2.6 0.65 0.65
! peak number d 445  F1=  4.032  F2=  3.355   null   null  d=  2.7
assi (( resid  5 and name HA))
     (( resid  5 and name HB3))
             2.7 0.68 0.68
! peak number d 1296  F1=  1.187  F2=  4.043   null   null  d=  3.9
assi (( resid  5 and name HA))
     (( resid  8 and name HB3))
             3.9 0.97 0.97
! peak number d 1014  F1=  4.030  F2=  1.004   null   null  d=  3.6
assi (( resid  5 and name HA))
     (( resid  8 and name HD*))
             3.6 0.90 0.90
! peak number d 1092  F1=  4.031  F2=  0.478   null   null  d=  4.7
assi (( resid  5 and name HA))
     (( resid  8 and name HG2))
             4.7 1.18 1.18
! peak number d 1395  F1=  4.275  F2=  7.514   null   null  d=  4.5
assi (( resid  5 and name HD1))
     (( resid  4 and name HA))
             4.5 1.14 1.14
! peak number d 1044  F1=  7.507  F2=  0.739   null   null  d=  4.7
assi (( resid  5 and name HD1))
     (( resid  4 and name HB2))
             4.7 1.18 1.18
! peak number d 1046  F1=  7.507  F2=  1.940   null   null  d=  4.8
assi (( resid  5 and name HD1))
     (( resid  4 and name HB3))
             4.8 1.20 1.20
! peak number d 1107  F1=  4.032  F2=  7.526   null   null  d=  3.3
assi (( resid  5 and name HD1))
     (( resid  5 and name HA))
             3.3 0.82 0.82
! peak number d 141  F1=  7.506  F2=  3.240   null   null  d=  3.2
assi (( resid  5 and name HD1))
     (( resid  5 and name HB2))
             3.2 0.79 0.79
! peak number d 137  F1=  7.506  F2=  3.367   null   null  d=  3.7
assi (( resid  5 and name HD1))
     (( resid  5 and name HB3))
             3.7 0.93 0.93
! peak number d 1058  F1=  6.186  F2=  7.530   null   null  d=  4.4
assi (( resid  5 and name HD1))
     (( resid  6 and name HD*))
             4.4 1.09 1.09
! peak number h 781  F1=  7.518  F2=  5.226   null   null  d=  4.4
assi (( resid  5 and name HD1))
     (( resid  6 and name HN))
             4.4 1.10 1.10
! peak number h 282  F1=  7.519  F2=  10.576   null   null  d=  2.7
assi (( resid  5 and name HE1))
     (( resid  5 and name HD1))
             2.7 0.68 0.68
! peak number h 2  F1=  10.581  F2=  7.615   null   null  d=  3.0
assi (( resid  5 and name HE1))
     (( resid  5 and name HZ2))
             3.0 0.74 0.74
! peak number h 421  F1=  6.205  F2=  10.584   null   null  d=  3.5
assi (( resid  5 and name HE1))
     (( resid  6 and name HD*))
             3.5 0.86 0.86
! peak number d 1294  F1=  7.433  F2=  1.016   null   null  d=  4.4
assi (( resid  5 and name HE3))
     (( resid  44 and name HB*))
             4.4 1.10 1.10
! peak number d 762  F1=  7.434  F2=  4.666   null   null  d=  3.5
assi (( resid  5 and name HE3))
     (( resid  45 and name HA))
             3.5 0.86 0.86
! peak number d 929  F1=  4.030  F2=  7.443   null   null  d=  4.3
assi (( resid  5 and name HE3))
     (( resid  5 and name HA))
             4.3 1.09 1.09
! peak number d 750  F1=  7.433  F2=  3.234   null   null  d=  3.5
assi (( resid  5 and name HE3))
     (( resid  5 and name HB2))
             3.5 0.87 0.87
! peak number d 136  F1=  7.433  F2=  3.363   null   null  d=  2.8
assi (( resid  5 and name HE3))
     (( resid  5 and name HB3))
             2.8 0.69 0.69
! peak number h 247  F1=  7.211  F2=  7.430   null   null  d=  2.2
assi (( resid  5 and name HE3))
     (( resid  5 and name HZ3))
             2.2 0.55 0.55
! peak number d 737  F1=  7.434  F2=  1.759   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  56 and name HD3) or ( resid 3 and name HB3))
             3.4 0.85 0.85
! peak number d 1157  F1=  1.744  F2=  7.444   null   null  d=  3.2
assi (( resid  5 and name HE3))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             3.2 0.80 0.80
! peak number d 165  F1=  7.433  F2=  3.637   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  6 and name HA))
             3.4 0.84 0.84
! peak number d 1406  F1=  2.482  F2=  7.439   null   null  d=  4.8
assi (( resid  5 and name HE3))
     (( resid  6 and name HB2))
             4.8 1.19 1.19
! peak number d 178  F1=  7.434  F2=  6.199   null   null  d=  3.1
assi (( resid  5 and name HE3))
     (( resid  6 and name HD*))
             3.1 0.78 0.78
! peak number d 1293  F1=  1.008  F2=  7.439   null   null  d=  4.7
assi (( resid  5 and name HE3))
     (( resid  8 and name HD*) or ( resid 44 and name HB*))
             4.7 1.18 1.18
! peak number d 1397  F1=  4.495  F2=  7.442   null   null  d=  4.3
assi (( resid  5 and name HE3))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             4.3 1.09 1.09
! peak number d 739  F1=  7.431  F2=  2.572   null   null  d=  3.4
assi (( resid  5 and name HE3))
     (( resid  9 and name HG3))
             3.4 0.85 0.85
! peak number d 970  F1=  0.866  F2=  7.423   null   null  d=  3.5
assi (( resid  5 and name HE3) or ( resid 23 and name HE*))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.5 0.88 0.88
! peak number h 1066  F1=  7.422  F2=  1.741   null   null  d=  3.6
assi (( resid  5 and name HE3) or ( resid 48 and name HE22))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             3.6 0.90 0.90
! peak number d 808  F1=  1.014  F2=  7.325   null   null  d=  3.6
assi (( resid  5 and name HH2))
     (( resid  44 and name HB*))
             3.6 0.89 0.89
! peak number d 1291  F1=  7.321  F2=  0.870   null   null  d=  5.2
assi (( resid  5 and name HH2))
     (( resid  6 and name HB3))
             5.2 1.40 1.40
! peak number d 1238  F1=  7.319  F2=  2.570   null   null  d=  4.3
assi (( resid  5 and name HH2) or ( resid 35 and name HE*))
     (( resid  9 and name HG3) or ( resid 47 and name HB3))
             4.3 1.08 1.08
! peak number d 1240  F1=  7.336  F2=  2.199   null   null  d=  4.5
assi (( resid  5 and name HH2) or ( resid 35 and name HE*) or ( resid 27 and name HD1))
     (( resid  9 and name HB*) or ( resid 8 and name HE*) or ( resid 53 and name HA))
             4.5 1.20 1.20
! peak number h 100  F1=  8.242  F2=  4.281   null   null  d=  2.7
assi (( resid  5 and name HN))
     (( resid  4 and name HA))
             2.7 0.70 0.70
! peak number h 645  F1=  8.237  F2=  1.920   null   null  d=  3.6
assi (( resid  5 and name HN))
     (( resid  4 and name HB3))
             3.6 0.90 0.90
! peak number h 519  F1=  4.043  F2=  8.239   null   null  d=  3.1
assi (( resid  5 and name HN))
     (( resid  5 and name HA))
             3.1 0.77 0.77
! peak number h 342  F1=  3.242  F2=  8.234   null   null  d=  2.8
assi (( resid  5 and name HN))
     (( resid  5 and name HB2))
             2.8 0.70 0.70
! peak number h 525  F1=  3.369  F2=  8.229   null   null  d=  3.3
assi (( resid  5 and name HN))
     (( resid  5 and name HB3))
             3.3 0.82 0.82
! peak number h 263  F1=  7.516  F2=  8.234   null   null  d=  2.7
assi (( resid  5 and name HN))
     (( resid  5 and name HD1))
             2.7 0.68 0.68
! peak number h 437  F1=  8.235  F2=  5.219   null   null  d=  3.5
assi (( resid  5 and name HN))
     (( resid  6 and name HN))
             3.5 0.88 0.88
! peak number d 1162  F1=  1.011  F2=  7.619   null   null  d=  4.0
assi (( resid  5 and name HZ2))
     (( resid  44 and name HB*))
             4.0 1.00 1.00
! peak number h 252  F1=  7.318  F2=  7.614   null   null  d=  2.2
assi (( resid  5 and name HZ2))
     (( resid  5 and name HH2))
             2.2 0.55 0.55
! peak number d 1228  F1=  7.640  F2=  2.001   null   null  d=  3.6
assi (( resid  5 and name HZ2))
     (( resid  56 and name HD2))
             3.6 0.90 0.90
! peak number d 779  F1=  7.606  F2=  6.195   null   null  d=  4.0
assi (( resid  5 and name HZ2))
     (( resid  6 and name HD*))
             4.0 0.99 0.99
! peak number d 1163  F1=  1.015  F2=  7.223   null   null  d=  4.1
assi (( resid  5 and name HZ3))
     (( resid  44 and name HB*))
             4.1 1.02 1.02
! peak number d 1154  F1=  3.630  F2=  7.228   null   null  d=  3.8
assi (( resid  5 and name HZ3))
     (( resid  6 and name HA))
             3.8 0.94 0.94
! peak number d 1420  F1=  0.860  F2=  7.213   null   null  d=  4.5
assi (( resid  5 and name HZ3))
     (( resid  6 and name HB3))
             4.5 1.13 1.13
! peak number d 161  F1=  7.210  F2=  2.569   null   null  d=  3.0
assi (( resid  5 and name HZ3))
     (( resid  9 and name HG3))
             3.0 0.74 0.74
! peak number d 61  F1=  7.230  F2=  2.200   null   null  d=  3.2
assi (( resid  5 and name HZ3) or ( resid 27 and name HH2))
     (( resid  9 and name HB*) or ( resid 8 and name HE*) or ( resid 3 and name HG2))
             3.2 0.79 0.79
! peak number d 560  F1=  3.075  F2=  0.665   null   null  d=  2.5
assi (( resid  50 and name HA))
     (( resid  50 and name HB))
             2.5 0.62 0.62
! peak number d 561  F1=  3.073  F2=  0.778   null   null  d=  3.2
assi (( resid  50 and name HA))
     (( resid  50 and name HD1*))
             3.2 0.80 0.80
! peak number d 678  F1=  0.866  F2=  3.087   null   null  d=  2.5
assi (( resid  50 and name HA))
     (( resid  50 and name HG1*))
             2.5 0.62 0.62
! peak number h 767  F1=  8.252  F2=  6.787   null   null  d=  4.0
assi (( resid  50 and name HN))
     (( resid  23 and name HD*))
             4.0 1.00 1.00
! peak number h 211  F1=  8.246  F2=  7.414   null   null  d=  3.0
assi (( resid  50 and name HN))
     (( resid  23 and name HE*))
             3.0 0.76 0.76
! peak number h 434  F1=  8.258  F2=  4.820   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  49 and name HA))
             2.3 0.57 0.57
! peak number h 105  F1=  8.247  F2=  4.447   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  49 and name HB))
             2.3 0.57 0.57
! peak number h 644  F1=  8.252  F2=  1.276   null   null  d=  3.4
assi (( resid  50 and name HN))
     (( resid  49 and name HG2*))
             3.4 0.85 0.85
! peak number h 93  F1=  8.258  F2=  3.078   null   null  d=  3.0
assi (( resid  50 and name HN))
     (( resid  50 and name HA))
             3.0 0.75 0.75
! peak number h 60  F1=  8.264  F2=  0.655   null   null  d=  2.3
assi (( resid  50 and name HN))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             2.3 0.57 0.57
! peak number d 1096  F1=  3.766  F2=  0.679   null   null  d=  4.4
assi (( resid  51 and name HA1))
     (( resid  50 and name HG2*))
             4.4 1.10 1.10
! peak number d 505  F1=  3.595  F2=  3.791   null   null  d=  1.9
assi (( resid  51 and name HA1))
     (( resid  51 and name HA2))
             1.9 0.46 0.46
! peak number d 1379  F1=  1.700  F2=  3.783   null   null  d=  3.8
assi (( resid  51 and name HA1))
     (( resid  54 and name HB*))
             3.8 0.95 0.95
! peak number d 1010  F1=  3.804  F2=  2.582   null   null  d=  3.4
assi (( resid  51 and name HA1) or ( resid 10 and name HD2))
     (( resid  9 and name HG3) or ( resid 32 and name HB3))
             3.4 0.85 0.85
! peak number d 1199  F1=  3.080  F2=  3.596   null   null  d=  3.2
assi (( resid  51 and name HA2))
     (( resid  54 and name HD2) or ( resid 50 and name HA))
             3.2 0.80 0.80
! peak number h 797  F1=  8.218  F2=  3.075   null   null  d=  3.5
assi (( resid  51 and name HN))
     (( resid  50 and name HA))
             3.5 0.88 0.88
! peak number h 63  F1=  8.210  F2=  0.654   null   null  d=  2.7
assi (( resid  51 and name HN))
     (( resid  50 and name HG2*))
             2.7 0.68 0.68
! peak number h 321  F1=  3.793  F2=  8.219   null   null  d=  2.5
assi (( resid  51 and name HN))
     (( resid  51 and name HA1))
             2.5 0.64 0.64
! peak number h 523  F1=  3.610  F2=  8.223   null   null  d=  2.9
assi (( resid  51 and name HN))
     (( resid  51 and name HA2))
             2.9 0.72 0.72
! peak number h 207  F1=  8.216  F2=  7.664   null   null  d=  2.8
assi (( resid  51 and name HN))
     (( resid  52 and name HN))
             2.8 0.71 0.71
! peak number h 623  F1=  6.783  F2=  8.245   null   null  d=  3.9
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  23 and name HD*))
             3.9 0.97 0.97
! peak number h 341  F1=  3.077  F2=  8.240   null   null  d=  2.9
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HA))
             2.9 0.72 0.72
! peak number h 1051  F1=  0.859  F2=  8.231   null   null  d=  3.8
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HG1*))
             3.8 0.94 0.94
! peak number h 389  F1=  0.669  F2=  8.232   null   null  d=  2.2
assi (( resid  51 and name HN) or ( resid 50 and name HN))
     (( resid  50 and name HG2*) or ( resid 50 and name HB))
             2.2 0.55 0.55
! peak number d 534  F1=  2.139  F2=  3.988   null   null  d=  2.6
assi (( resid  52 and name HA))
     (( resid  52 and name HB*))
             2.6 0.80 0.80
! peak number d 449  F1=  3.988  F2=  2.523   null   null  d=  3.1
assi (( resid  52 and name HA))
     (( resid  52 and name HG2))
             3.1 0.79 0.79
! peak number d 452  F1=  3.991  F2=  2.338   null   null  d=  3.2
assi (( resid  52 and name HA))
     (( resid  52 and name HG3))
             3.2 0.80 0.80
! peak number d 423  F1=  3.988  F2=  1.790   null   null  d=  2.7
assi (( resid  52 and name HA))
     (( resid  55 and name HB*))
             2.7 0.69 0.69
! peak number d 1304  F1=  1.532  F2=  4.015   null   null  d=  3.4
assi (( resid  52 and name HA) or ( resid 21 and name HB3))
     (( resid  55 and name HD*) or ( resid 36 and name HG))
             3.4 0.85 0.85
! peak number d 461  F1=  3.972  F2=  2.155   null   null  d=  2.1
assi (( resid  52 and name HA) or ( resid 34 and name HD2))
     (( resid  52 and name HB*) or ( resid 34 and name HG*))
             2.1 0.53 0.53
! peak number h 442  F1=  7.668  F2=  3.783   null   null  d=  3.2
assi (( resid  52 and name HN))
     (( resid  51 and name HA1))
             3.2 0.80 0.80
! peak number h 133  F1=  7.669  F2=  3.980   null   null  d=  3.2
assi (( resid  52 and name HN))
     (( resid  52 and name HA))
             3.2 0.81 0.81
! peak number h 376  F1=  2.146  F2=  7.668   null   null  d=  2.5
assi (( resid  52 and name HN))
     (( resid  52 and name HB*))
             2.5 0.61 0.61
! peak number h 935  F1=  2.336  F2=  7.693   null   null  d=  3.4
assi (( resid  52 and name HN) or ( resid 11 and name HN))
     (( resid  52 and name HG3) or ( resid 10 and name HB*))
             3.4 0.85 0.85
! peak number d 1206  F1=  2.720  F2=  3.194   null   null  d=  2.6
assi (( resid  53 and name HB2))
     (( resid  23 and name HB3))
             2.6 0.65 0.65
! peak number d 823  F1=  3.179  F2=  2.597   null   null  d=  2.4
assi (( resid  53 and name HB2))
     (( resid  32 and name HB3))
             2.4 0.60 0.60
! peak number d 585  F1=  2.587  F2=  3.195   null   null  d=  2.5
assi (( resid  53 and name HB2))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             2.5 0.62 0.62
! peak number d 1341  F1=  0.871  F2=  3.190   null   null  d=  3.6
assi (( resid  53 and name HB2) or ( resid 25 and name HB3))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.6 0.90 0.90
! peak number d 582  F1=  2.191  F2=  3.016   null   null  d=  2.5
assi (( resid  53 and name HB3))
     (( resid  53 and name HA))
             2.5 0.62 0.62
! peak number h 697  F1=  6.878  F2=  3.333   null   null  d=  3.6
assi (( resid  53 and name HN))
     (( resid  47 and name HB2))
             3.6 0.90 0.90
! peak number h 819  F1=  6.876  F2=  2.569   null   null  d=  4.0
assi (( resid  53 and name HN))
     (( resid  47 and name HB3) or ( resid 32 and name HB3))
             4.0 1.00 1.00
! peak number h 174  F1=  6.871  F2=  3.080   null   null  d=  3.5
assi (( resid  53 and name HN))
     (( resid  50 and name HA))
             3.5 0.86 0.86
! peak number h 812  F1=  6.879  F2=  3.990   null   null  d=  4.3
assi (( resid  53 and name HN))
     (( resid  52 and name HA))
             4.3 1.07 1.07
! peak number h 167  F1=  6.874  F2=  2.159   null   null  d=  2.7
assi (( resid  53 and name HN))
     (( resid  52 and name HB*))
             2.7 0.68 0.68
! peak number h 173  F1=  6.876  F2=  3.175   null   null  d=  2.7
assi (( resid  53 and name HN))
     (( resid  53 and name HB2))
             2.7 0.69 0.69
! peak number h 176  F1=  6.875  F2=  2.989   null   null  d=  2.9
assi (( resid  53 and name HN))
     (( resid  53 and name HB3))
             2.9 0.71 0.71
! peak number h 373  F1=  2.173  F2=  6.886   null   null  d=  2.7
assi (( resid  53 and name HN) or ( resid 2 and name HE22))
     (( resid  53 and name HA) or ( resid 52 and name HB*) or ( resid 2 and name HG*))
             2.7 0.68 0.68
! peak number d 609  F1=  1.989  F2=  3.578   null   null  d=  2.9
assi (( resid  54 and name HA))
     (( resid  58 and name HB*))
             2.9 0.72 0.72
! peak number d 479  F1=  3.565  F2=  0.996   null   null  d=  3.0
assi (( resid  54 and name HA))
     (( resid  58 and name HD2*))
             3.0 0.74 0.74
! peak number d 613  F1=  1.432  F2=  3.575   null   null  d=  3.3
assi (( resid  54 and name HA))
     (( resid  58 and name HG))
             3.3 0.82 0.82
! peak number d 612  F1=  1.508  F2=  3.570   null   null  d=  2.8
assi (( resid  54 and name HA))
     (( resid  60 and name HD*))
             2.8 0.70 0.70
! peak number d 874  F1=  1.680  F2=  2.985   null   null  d=  2.6
assi (( resid  54 and name HD3))
     (( resid  54 and name HB*))
             2.6 0.65 0.65
! peak number d 626  F1=  1.505  F2=  2.991   null   null  d=  2.5
assi (( resid  54 and name HD3))
     (( resid  54 and name HG*))
             2.5 0.62 0.62
! peak number h 490  F1=  7.342  F2=  3.083   null   null  d=  4.2
assi (( resid  54 and name HE))
     (( resid  54 and name HD2))
             4.2 1.30 1.30
! peak number h 120  F1=  7.343  F2=  2.994   null   null  d=  3.2
assi (( resid  54 and name HE))
     (( resid  54 and name HD3) or ( resid 53 and name HB3))
             3.2 0.79 0.79
! peak number h 601  F1=  7.341  F2=  1.479   null   null  d=  3.6
assi (( resid  54 and name HE))
     (( resid  60 and name HD*) or ( resid 54 and name HG*))
             3.6 0.91 0.91
! peak number h 595  F1=  7.324  F2=  3.549   null   null  d=  3.7
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             3.7 0.93 0.93
! peak number h 694  F1=  7.339  F2=  1.812   null   null  d=  3.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  55 and name HB*) or ( resid 12 and name HB2))
             3.6 0.90 0.90
! peak number h 124  F1=  7.322  F2=  2.843   null   null  d=  2.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  60 and name HE3) or ( resid 24 and name HB*))
             2.6 0.65 0.65
! peak number h 367  F1=  2.832  F2=  7.322   null   null  d=  2.6
assi (( resid  54 and name HE) or ( resid 35 and name HE*))
     (( resid  60 and name HE3) or ( resid 37 and name HB2) or ( resid 24 and name HB*))
             2.6 0.65 0.65
! peak number h 653  F1=  8.473  F2=  2.190   null   null  d=  3.8
assi (( resid  54 and name HN))
     (( resid  53 and name HA))
             3.8 0.95 0.95
! peak number h 343  F1=  3.174  F2=  8.468   null   null  d=  2.7
assi (( resid  54 and name HN))
     (( resid  53 and name HB2))
             2.7 0.66 0.66
! peak number h 217  F1=  8.474  F2=  6.873   null   null  d=  3.0
assi (( resid  54 and name HN))
     (( resid  53 and name HN))
             3.0 0.74 0.74
! peak number h 381  F1=  1.691  F2=  8.471   null   null  d=  2.7
assi (( resid  54 and name HN))
     (( resid  54 and name HB*))
             2.7 0.68 0.68
! peak number h 639  F1=  8.472  F2=  3.076   null   null  d=  3.7
assi (( resid  54 and name HN))
     (( resid  54 and name HD2) or ( resid 50 and name HA))
             3.7 0.93 0.93
! peak number h 638  F1=  8.482  F2=  3.002   null   null  d=  3.1
assi (( resid  54 and name HN))
     (( resid  54 and name HD3) or ( resid 53 and name HB3))
             3.1 0.78 0.78
! peak number h 224  F1=  8.081  F2=  8.471   null   null  d=  2.6
assi (( resid  54 and name HN))
     (( resid  55 and name HN))
             2.6 0.65 0.65
! peak number h 325  F1=  3.568  F2=  8.482   null   null  d=  2.7
assi (( resid  54 and name HN) or ( resid 22 and name HN))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             2.7 0.68 0.68
! peak number h 453  F1=  8.478  F2=  1.497   null   null  d=  2.9
assi (( resid  54 and name HN) or ( resid 22 and name HN))
     (( resid  54 and name HG*) or ( resid 36 and name HG))
             2.9 0.72 0.72
! peak number h 749  F1=  2.208  F2=  8.454   null   null  d=  3.3
assi (( resid  54 and name HN) or ( resid 43 and name HD22))
     (( resid  9 and name HB*) or ( resid 53 and name HA))
             3.3 0.82 0.82
! peak number d 427  F1=  3.883  F2=  1.780   null   null  d=  2.4
assi (( resid  55 and name HA))
     (( resid  55 and name HB*))
             2.4 0.60 0.60
! peak number d 1011  F1=  3.878  F2=  3.028   null   null  d=  3.4
assi (( resid  55 and name HA))
     (( resid  59 and name HA1))
             3.4 0.85 0.85
! peak number d 422  F1=  3.880  F2=  1.321   null   null  d=  3.2
assi (( resid  55 and name HA))
     (( resid  60 and name HB3) or ( resid 55 and name HG*))
             3.2 0.79 0.79
! peak number d 1005  F1=  1.980  F2=  3.876   null   null  d=  3.7
assi (( resid  55 and name HA) or ( resid 34 and name HD3))
     (( resid  58 and name HB*) or ( resid 34 and name HB2))
             3.7 0.93 0.93
! peak number d 1007  F1=  1.543  F2=  2.892   null   null  d=  2.5
assi (( resid  55 and name HE*) or ( resid 26 and name HE3))
     (( resid  55 and name HD*) or ( resid 26 and name HD*))
             2.5 0.64 0.64
! peak number h 481  F1=  8.078  F2=  3.983   null   null  d=  3.5
assi (( resid  55 and name HN))
     (( resid  52 and name HA))
             3.5 0.88 0.88
! peak number h 655  F1=  8.079  F2=  3.574   null   null  d=  3.8
assi (( resid  55 and name HN))
     (( resid  54 and name HA))
             3.8 0.95 0.95
! peak number h 774  F1=  7.344  F2=  8.070   null   null  d=  3.9
assi (( resid  55 and name HN))
     (( resid  54 and name HE))
             3.9 0.97 0.97
! peak number h 380  F1=  1.788  F2=  8.076   null   null  d=  2.3
assi (( resid  55 and name HN))
     (( resid  55 and name HB*))
             2.3 0.59 0.59
! peak number h 64  F1=  8.073  F2=  1.681   null   null  d=  3.1
assi (( resid  55 and name HN))
     (( resid  60 and name HB2) or ( resid 54 and name HB*))
             3.1 0.79 0.79
! peak number h 841  F1=  8.079  F2=  1.314   null   null  d=  3.8
assi (( resid  55 and name HN))
     (( resid  60 and name HB3) or ( resid 55 and name HG*))
             3.8 0.95 0.95
! peak number h 318  F1=  3.884  F2=  8.078   null   null  d=  3.0
assi (( resid  55 and name HN) or ( resid 28 and name HN))
     (( resid  55 and name HA) or ( resid 27 and name HB3))
             3.0 0.75 0.75
! peak number h 842  F1=  8.105  F2=  1.548   null   null  d=  4.3
assi (( resid  55 and name HN) or ( resid 28 and name HN))
     (( resid  55 and name HD*) or ( resid 26 and name HD*))
             4.3 1.80 1.80
! peak number d 872  F1=  1.996  F2=  4.152   null   null  d=  3.6
assi (( resid  56 and name HA))
     (( resid  56 and name HD2))
             3.6 0.90 0.90
! peak number d 393  F1=  4.147  F2=  2.052   null   null  d=  2.4
assi (( resid  56 and name HA))
     (( resid  56 and name HG2))
             2.4 0.60 0.60
! peak number d 395  F1=  4.150  F2=  1.571   null   null  d=  2.6
assi (( resid  56 and name HA))
     (( resid  56 and name HG3))
             2.6 0.65 0.65
! peak number d 1378  F1=  2.515  F2=  3.108   null   null  d=  2.9
assi (( resid  56 and name HE*))
     (( resid  52 and name HG2))
             2.9 0.72 0.72
! peak number d 1370  F1=  3.093  F2=  2.340   null   null  d=  3.4
assi (( resid  56 and name HE*))
     (( resid  52 and name HG3))
             3.4 0.85 0.85
! peak number d 605  F1=  2.006  F2=  3.098   null   null  d=  3.0
assi (( resid  56 and name HE*))
     (( resid  56 and name HD2))
             3.0 0.75 0.75
! peak number d 624  F1=  1.772  F2=  3.098   null   null  d=  2.2
assi (( resid  56 and name HE*))
     (( resid  56 and name HD3))
             2.2 0.55 0.55
! peak number h 1101  F1=  7.929  F2=  3.558   null   null  d=  3.7
assi (( resid  56 and name HN))
     (( resid  54 and name HA))
             3.7 0.93 0.93
! peak number h 654  F1=  7.948  F2=  3.877   null   null  d=  3.4
assi (( resid  56 and name HN) or ( resid 45 and name HD22))
     (( resid  55 and name HA) or ( resid 11 and name HA))
             3.4 0.85 0.85
! peak number h 418  F1=  7.962  F2=  6.930   null   null  d=  3.5
assi (( resid  45 and name HD22))
     (( resid  24 and name HD*))
             3.5 0.3 0.3
! peak number h 1098  F1=  2.537  F2=  7.967   null   null  d=  5.1
assi (( resid  56 and name HN) or ( resid 47 and name HE*))
     (( resid  52 and name HG2))
             5.1 1.27 1.27
! peak number h 52  F1=  7.938  F2=  1.742   null   null  d=  2.2
assi (( resid  56 and name HN) or ( resid 47 and name HE*))
     (( resid  56 and name HD3) or ( resid 56 and name HB*))
             2.2 0.55 0.55
! peak number d 856  F1=  4.099  F2=  4.937   null   null  d=  3.3
assi (( resid  57 and name HA))
     (( resid  3 and name HA))
             3.3 0.82 0.82
! peak number d 326  F1=  3.887  F2=  4.932   null   null  d=  2.7
assi (( resid  57 and name HA))
     (( resid  4 and name HD2))
             2.7 0.68 0.68
! peak number d 1061  F1=  4.931  F2=  3.691   null   null  d=  3.7
assi (( resid  57 and name HA))
     (( resid  4 and name HD3))
             3.7 0.93 0.93
! peak number d 1069  F1=  4.926  F2=  1.779   null   null  d=  3.3
assi (( resid  57 and name HA))
     (( resid  56 and name HD3) or ( resid 3 and name HB3))
             3.3 0.84 0.84
! peak number d 368  F1=  1.185  F2=  4.937   null   null  d=  2.7
assi (( resid  57 and name HA))
     (( resid  57 and name HB3))
             2.7 0.66 0.66
! peak number d 37  F1=  4.928  F2=  2.485   null   null  d=  3.2
assi (( resid  57 and name HA))
     (( resid  6 and name HB2) or ( resid 3 and name HB2))
             3.2 0.80 0.80
! peak number d 346  F1=  1.864  F2=  4.926   null   null  d=  2.5
assi (( resid  57 and name HA) or ( resid 34 and name HA))
     (( resid  57 and name HB2) or ( resid 34 and name HB3))
             2.5 0.62 0.62
! peak number h 378  F1=  1.864  F2=  7.926   null   null  d=  2.6
assi (( resid  57 and name HN))
     (( resid  57 and name HB2))
             2.6 0.65 0.65
! peak number h 657  F1=  7.924  F2=  1.186   null   null  d=  4.0
assi (( resid  57 and name HN))
     (( resid  57 and name HB3))
             4.0 1.10 1.10
! peak number h 608  F1=  7.924  F2=  7.648   null   null  d=  2.3
assi (( resid  57 and name HN))
     (( resid  58 and name HN))
             2.3 0.59 0.59
! peak number h 77  F1=  7.942  F2=  4.149   null   null  d=  2.9
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  56 and name HA))
             2.9 0.72 0.72
! peak number h 556  F1=  2.079  F2=  7.934   null   null  d=  3.2
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  56 and name HG2))
             3.2 0.80 0.80
! peak number h 625  F1=  6.984  F2=  7.926   null   null  d=  3.6
assi (( resid  57 and name HN) or ( resid 56 and name HN))
     (( resid  59 and name HN))
             3.6 0.90 0.90
! peak number h 459  F1=  7.937  F2=  2.073   null   null  d=  3.1
assi (( resid  57 and name HN) or ( resid 56 and name HN) or ( resid 47 and name HE*))
     (( resid  56 and name HG2))
             3.1 0.78 0.78
! peak number d 341  F1=  1.992  F2=  4.550   null   null  d=  3.2
assi (( resid  58 and name HA))
     (( resid  58 and name HB*))
             3.2 0.90 0.90
! peak number d 1083  F1=  4.541  F2=  1.213   null   null  d=  3.3
assi (( resid  58 and name HA) or ( resid 26 and name HA))
     (( resid  57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3) or ( resid 29 and name HB*))
             3.3 0.82 0.82
! peak number d 1389  F1=  4.551  F2=  3.561   null   null  d=  3.4
assi (( resid  58 and name HA) or ( resid 36 and name HA))
     (( resid  54 and name HA) or ( resid 22 and name HB2))
             3.4 0.85 0.85
! peak number d 380  F1=  4.526  F2=  0.956   null   null  d=  2.5
assi (( resid  58 and name HA) or ( resid 36 and name HA))
     (( resid  58 and name HD1*) or ( resid 36 and name HB3))
             2.5 0.62 0.62
! peak number d 405  F1=  4.544  F2=  1.419   null   null  d=  2.1
assi (( resid  58 and name HA) or ( resid 39 and name HA1))
     (( resid  58 and name HG) or ( resid 17 and name HG3))
             2.1 0.53 0.53
! peak number d 1084  F1=  4.541  F2=  1.292   null   null  d=  3.0
assi (( resid  58 and name HA) or ( resid 39 and name HA1) or ( resid 26 and name HA))
     (( resid  33 and name HG) or ( resid 30 and name HG2) or ( resid 18 and name HG2) or ( resid 17 and name HG2))
             3.0 0.75 0.75
! peak number d 1191  F1=  1.279  F2=  4.567   null   null  d=  3.1
assi (( resid  58 and name HA) or ( resid 48 and name HA) or ( resid 26 and name HA))
     (( resid  49 and name HG2*) or ( resid 33 and name HG) or ( resid 30 and name HG2))
             3.1 0.78 0.78
! peak number d 714  F1=  0.984  F2=  2.006   null   null  d=  2.5
assi (( resid  58 and name HB*))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.5 0.62 0.62
! peak number d 895  F1=  0.988  F2=  1.446   null   null  d=  2.1
assi (( resid  58 and name HG))
     (( resid  58 and name HD2*) or ( resid 58 and name HD1*))
             2.1 0.53 0.53
! peak number h 863  F1=  7.660  F2=  1.851   null   null  d=  4.1
assi (( resid  58 and name HN))
     (( resid  57 and name HB2))
             4.1 1.02 1.02
! peak number h 377  F1=  1.999  F2=  7.650   null   null  d=  2.7
assi (( resid  58 and name HN))
     (( resid  58 and name HB*))
             2.7 0.69 0.69
! peak number h 470  F1=  7.652  F2=  1.437   null   null  d=  3.0
assi (( resid  58 and name HN))
     (( resid  58 and name HG))
             3.0 0.75 0.75
! peak number h 240  F1=  7.658  F2=  6.984   null   null  d=  2.3
assi (( resid  58 and name HN))
     (( resid  59 and name HN))
             2.3 0.56 0.56
! peak number h 483  F1=  7.657  F2=  3.583   null   null  d=  3.3
assi (( resid  58 and name HN) or ( resid 52 and name HN))
     (( resid  54 and name HA) or ( resid 51 and name HA2))
             3.3 0.82 0.82
! peak number d 578  F1=  2.465  F2=  3.025   null   null  d=  1.9
assi (( resid  59 and name HA1))
     (( resid  59 and name HA2))
             1.9 0.47 0.47
! peak number h 962  F1=  3.877  F2=  6.991   null   null  d=  3.6
assi (( resid  59 and name HN))
     (( resid  55 and name HA))
             3.6 0.90 0.90
! peak number h 175  F1=  6.983  F2=  3.031   null   null  d=  2.6
assi (( resid  59 and name HN))
     (( resid  59 and name HA1))
             2.6 0.65 0.65
! peak number h 154  F1=  7.012  F2=  1.058   null   null  d=  2.6
assi (( resid  59 and name HN))
     (( resid  60 and name HG*))
             2.6 0.65 0.65
! peak number h 172  F1=  7.009  F2=  3.233   null   null  d=  2.6
assi (( resid  59 and name HN) or ( resid 25 and name HE1))
     (( resid  30 and name HA) or ( resid 1 and name HB3))
             2.6 0.65 0.65
! peak number h 602  F1=  7.011  F2=  1.185   null   null  d=  3.3
assi (( resid  59 and name HN) or ( resid 25 and name HE1))
     (( resid  57 and name HB3) or ( resid 30 and name HG3))
             3.3 0.82 0.82
! peak number h 480  F1=  6.989  F2=  2.008   null   null  d=  3.3
assi (( resid  59 and name HN) or ( resid 27 and name HZ3))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.3 0.84 0.84
! peak number h 165  F1=  6.984  F2=  2.493   null   null  d=  3.0
assi (( resid  59 and name HN) or ( resid 27 and name HZ3))
     (( resid  59 and name HA2) or ( resid 3 and name HB2))
             3.0 0.74 0.74
! peak number h 821  F1=  6.988  F2=  2.893   null   null  d=  3.5
assi (( resid  59 and name HN) or ( resid 37 and name HD*) or ( resid 27 and name HZ3))
     (( resid  7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
             3.5 0.88 0.88
! peak number d 1180  F1=  1.016  F2=  3.642   null   null  d=  4.4
assi (( resid  6 and name HA))
     (( resid  44 and name HB*))
             4.4 1.10 1.10
! peak number d 521  F1=  2.475  F2=  3.641   null   null  d=  2.5
assi (( resid  6 and name HA))
     (( resid  6 and name HB2))
             2.5 0.62 0.62
! peak number d 481  F1=  3.631  F2=  0.876   null   null  d=  2.4
assi (( resid  6 and name HA))
     (( resid  6 and name HB3))
             2.4 0.60 0.60
! peak number d 686  F1=  0.864  F2=  2.478   null   null  d=  1.9
assi (( resid  6 and name HB2))
     (( resid  6 and name HB3))
             1.9 0.47 0.47
! peak number d 1155  F1=  0.729  F2=  6.198   null   null  d=  3.5
assi (( resid  6 and name HD*))
     (( resid  4 and name HB2))
             3.5 0.88 0.88
! peak number d 1416  F1=  6.183  F2=  1.932   null   null  d=  4.3
assi (( resid  6 and name HD*))
     (( resid  4 and name HB3))
             4.3 1.09 1.09
! peak number d 273  F1=  2.480  F2=  6.195   null   null  d=  2.9
assi (( resid  6 and name HD*))
     (( resid  6 and name HB2))
             2.9 0.79 0.79
! peak number d 318  F1=  0.865  F2=  6.193   null   null  d=  2.5
assi (( resid  6 and name HD*))
     (( resid  6 and name HB3))
             2.5 0.63 0.63
! peak number h 200  F1=  6.196  F2=  5.230   null   null  d=  3.4
assi (( resid  6 and name HD*))
     (( resid  6 and name HN))
             3.4 0.85 0.85
! peak number d 1049  F1=  6.779  F2=  1.031   null   null  d=  4.8
assi (( resid  6 and name HE*))
     (( resid  44 and name HB*))
             4.8 1.50 1.50
! peak number h 1072  F1=  1.730  F2=  6.779   null   null  d=  4.8
assi (( resid  6 and name HE*))
     (( resid  56 and name HB*))
             4.8 1.20 1.20
! peak number d 747  F1=  6.781  F2=  1.755   null   null  d=  3.5
assi (( resid  6 and name HE*))
     (( resid  56 and name HD3))
             3.5 0.87 0.87
! peak number d 292  F1=  2.072  F2=  6.791   null   null  d=  3.1
assi (( resid  6 and name HE*))
     (( resid  56 and name HG2))
             3.1 0.76 0.76
! peak number d 72  F1=  6.783  F2=  1.592   null   null  d=  3.8
assi (( resid  6 and name HE*))
     (( resid  56 and name HG3) or ( resid 4 and name HG3))
             3.8 0.94 0.94
! peak number d 1041  F1=  6.780  F2=  2.491   null   null  d=  4.1
assi (( resid  6 and name HE*))
     (( resid  6 and name HB2))
             4.1 1.02 1.02
! peak number d 187  F1=  6.783  F2=  6.199   null   null  d=  2.3
assi (( resid  6 and name HE*))
     (( resid  6 and name HD*))
             2.3 0.57 0.57
! peak number d 1037  F1=  6.785  F2=  3.881   null   null  d=  4.6
assi (( resid  6 and name HE*) or ( resid 23 and name HD*))
     (( resid  4 and name HD2) or ( resid 34 and name HD3) or ( resid 21 and name HB2))
             4.6 1.15 1.15
! peak number d 804  F1=  0.873  F2=  6.798   null   null  d=  3.4
assi (( resid  6 and name HE*) or ( resid 23 and name HD*))
     (( resid  6 and name HB3) or ( resid 50 and name HG1*))
             3.4 0.84 0.84
! peak number h 887  F1=  0.723  F2=  5.228   null   null  d=  3.6
assi (( resid  6 and name HN))
     (( resid  4 and name HB2))
             3.6 0.90 0.90
! peak number h 586  F1=  0.876  F2=  5.225   null   null  d=  3.3
assi (( resid  6 and name HN))
     (( resid  6 and name HB3))
             3.3 0.82 0.82
! peak number d 424  F1=  4.008  F2=  1.681   null   null  d=  3.0
assi (( resid  60 and name HA))
     (( resid  60 and name HB2))
             3.0 0.76 0.76
! peak number d 421  F1=  4.006  F2=  1.310   null   null  d=  3.4
assi (( resid  60 and name HA))
     (( resid  60 and name HB3))
             3.4 0.85 0.85
! peak number d 1305  F1=  1.491  F2=  4.017   null   null  d=  4.2
assi (( resid  60 and name HA))
     (( resid  60 and name HD*))
             4.2 1.05 1.05
! peak number d 1003  F1=  4.008  F2=  1.092   null   null  d=  3.7
assi (( resid  60 and name HA))
     (( resid  60 and name HG*))
             3.7 0.93 0.93
! peak number d 1361  F1=  1.461  F2=  2.831   null   null  d=  3.4
assi (( resid  60 and name HE3))
     (( resid  54 and name HG*))
             3.4 0.85 0.85
! peak number h 192  F1=  6.922  F2=  3.881   null   null  d=  2.9
assi (( resid  60 and name HN))
     (( resid  55 and name HA))
             2.9 0.72 0.72
! peak number h 933  F1=  1.987  F2=  6.913   null   null  d=  3.5
assi (( resid  60 and name HN))
     (( resid  58 and name HB*))
             3.5 0.88 0.88
! peak number h 495  F1=  6.918  F2=  3.023   null   null  d=  3.3
assi (( resid  60 and name HN))
     (( resid  59 and name HA1))
             3.3 0.82 0.82
! peak number h 500  F1=  6.915  F2=  4.012   null   null  d=  3.7
assi (( resid  60 and name HN))
     (( resid  60 and name HA))
             3.7 0.93 0.93
! peak number h 852  F1=  6.922  F2=  1.078   null   null  d=  3.3
assi (( resid  60 and name HN))
     (( resid  60 and name HG*))
             3.3 0.82 0.82
! peak number h 859  F1=  6.918  F2=  1.996   null   null  d=  3.5
assi (( resid  60 and name HN) or ( resid 1 and name HH2))
     (( resid  58 and name HB*) or ( resid 3 and name HG3))
             3.5 0.88 0.88
! peak number h 977  F1=  2.898  F2=  6.939   null   null  d=  3.8
assi (( resid  60 and name HN) or ( resid 1 and name HH2))
     (( resid  7 and name HB3) or ( resid 60 and name HE2))
             3.8 0.95 0.95
! peak number h 478  F1=  6.920  F2=  2.483   null   null  d=  3.0
assi (( resid  60 and name HN) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
     (( resid  59 and name HA2) or ( resid 30 and name HE3) or ( resid 3 and name HB2))
             3.0 0.75 0.75
! peak number h 181  F1=  6.937  F2=  2.838   null   null  d=  2.3
assi (( resid  60 and name HN) or ( resid 24 and name HD*))
     (( resid  60 and name HE3) or ( resid 24 and name HB*))
             2.3 0.57 0.57
! peak number h 145  F1=  6.945  F2=  1.317   null   null  d=  2.7
assi (( resid  60 and name HN) or ( resid 35 and name HZ))
     (( resid  60 and name HB3) or ( resid 46 and name HB3))
             2.7 0.68 0.68
! peak number d 1076  F1=  4.499  F2=  3.190   null   null  d=  3.2
assi (( resid  7 and name HA))
     (( resid  25 and name HB3))
             3.2 0.80 0.80
! peak number d 439  F1=  4.498  F2=  3.302   null   null  d=  2.7
assi (( resid  7 and name HA))
     (( resid  7 and name HB2))
             2.7 0.67 0.67
! peak number d 434  F1=  4.499  F2=  2.901   null   null  d=  2.7
assi (( resid  7 and name HA))
     (( resid  7 and name HB3))
             2.7 0.69 0.69
! peak number d 987  F1=  1.184  F2=  3.313   null   null  d=  3.5
assi (( resid  7 and name HB2))
     (( resid  57 and name HB3))
             3.5 0.88 0.88
! peak number d 1373  F1=  2.890  F2=  2.476   null   null  d=  2.7
assi (( resid  7 and name HB3))
     (( resid  3 and name HB2))
             2.7 0.68 0.68
! peak number d 621  F1=  1.786  F2=  2.886   null   null  d=  2.7
assi (( resid  7 and name HB3) or ( resid 55 and name HE*) or ( resid 26 and name HE3))
     (( resid  55 and name HB*) or ( resid 3 and name HB3) or ( resid 26 and name HB*))
             2.7 0.68 0.68
! peak number d 1344  F1=  2.882  F2=  1.423   null   null  d=  4.3
assi (( resid  7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
     (( resid  58 and name HG) or ( resid 18 and name HG3))
             4.3 1.07 1.07
! peak number h 810  F1=  7.259  F2=  3.882   null   null  d=  3.8
assi (( resid  7 and name HN))
     (( resid  4 and name HD2))
             3.8 0.95 0.95
! peak number h 509  F1=  7.266  F2=  6.196   null   null  d=  3.6
assi (( resid  7 and name HN))
     (( resid  6 and name HD*))
             3.6 0.90 0.90
! peak number h 683  F1=  7.263  F2=  5.228   null   null  d=  2.9
assi (( resid  7 and name HN))
     (( resid  6 and name HN))
             2.9 0.72 0.72
! peak number h 486  F1=  7.260  F2=  3.294   null   null  d=  3.7
assi (( resid  7 and name HN))
     (( resid  7 and name HB2))
             3.7 0.91 0.91
! peak number h 121  F1=  7.262  F2=  2.894   null   null  d=  2.7
assi (( resid  7 and name HN))
     (( resid  7 and name HB3))
             2.7 0.68 0.68
! peak number h 832  F1=  7.260  F2=  4.930   null   null  d=  2.8
assi (( resid  7 and name HN) or ( resid 1 and name HD1))
     (( resid  57 and name HA))
             2.8 0.70 0.70
! peak number h 773  F1=  6.195  F2=  7.260   null   null  d=  3.8
assi (( resid  7 and name HN) or ( resid 1 and name HD1))
     (( resid  6 and name HD*))
             3.8 0.95 0.95
! peak number h 497  F1=  7.239  F2=  3.660   null   null  d=  3.2
assi (( resid  7 and name HN) or ( resid 5 and name HZ3))
     (( resid  6 and name HA))
             3.2 0.80 0.80
! peak number d 1427  F1=  3.872  F2=  4.190   null   null  d=  2.5
assi (( resid  8 and name HA))
     (( resid  27 and name HB3))
             2.5 0.61 0.61
! peak number d 407  F1=  4.185  F2=  1.381   null   null  d=  2.6
assi (( resid  8 and name HA))
     (( resid  8 and name HB2))
             2.6 0.65 0.65
! peak number d 878  F1=  1.207  F2=  4.191   null   null  d=  3.1
assi (( resid  8 and name HA))
     (( resid  8 and name HB3))
             3.1 0.78 0.78
! peak number d 1093  F1=  4.183  F2=  1.009   null   null  d=  4.2
assi (( resid  8 and name HA))
     (( resid  8 and name HD*))
             4.2 1.05 1.05
! peak number d 1171  F1=  0.481  F2=  4.203   null   null  d=  3.6
assi (( resid  8 and name HA))
     (( resid  8 and name HG2))
             3.6 0.90 0.90
! peak number d 370  F1=  0.026  F2=  4.193   null   null  d=  2.9
assi (( resid  8 and name HA))
     (( resid  8 and name HG3))
             2.9 0.72 0.72
! peak number d 972  F1=  0.476  F2=  1.367   null   null  d=  3.6
assi (( resid  8 and name HB2))
     (( resid  8 and name HG2))
             3.6 0.90 0.90
! peak number d 705  F1=  0.022  F2=  1.383   null   null  d=  2.9
assi (( resid  8 and name HB2))
     (( resid  8 and name HG3))
             2.9 0.72 0.72
! peak number d 848  F1=  1.196  F2=  0.483   null   null  d=  2.9
assi (( resid  8 and name HB3))
     (( resid  8 and name HG2))
             2.9 0.72 0.72
! peak number d 976  F1=  0.027  F2=  1.204   null   null  d=  3.8
assi (( resid  8 and name HB3))
     (( resid  8 and name HG3))
             3.8 0.94 0.94
! peak number d 677  F1=  1.192  F2=  2.894   null   null  d=  3.1
assi (( resid  8 and name HB3) or ( resid 7 and name HB3) or ( resid 26 and name HE3))
     (( resid  8 and name HB3) or ( resid 57 and name HB3) or ( resid 29 and name HB*))
             3.1 0.78 0.78
! peak number d 706  F1=  0.480  F2=  0.986   null   null  d=  2.7
assi (( resid  8 and name HD*))
     (( resid  8 and name HG2))
             2.7 0.68 0.68
! peak number d 703  F1=  0.987  F2=  0.036   null   null  d=  3.4
assi (( resid  8 and name HD*))
     (( resid  8 and name HG3))
             3.4 1.00 1.00
! peak number d 1213  F1=  1.193  F2=  2.197   null   null  d=  3.4
assi (( resid  8 and name HE*))
     (( resid  8 and name HB3))
             3.4 0.85 0.85
! peak number d 829  F1=  2.200  F2=  0.483   null   null  d=  3.3
assi (( resid  8 and name HE*))
     (( resid  8 and name HG2))
             3.3 0.84 0.84
! peak number d 1135  F1=  2.198  F2=  0.038   null   null  d=  3.5
assi (( resid  8 and name HE*))
     (( resid  8 and name HG3))
             3.5 0.88 0.88
! peak number d 699  F1=  0.471  F2=  0.043   null   null  d=  2.1
assi (( resid  8 and name HG2))
     (( resid  8 and name HG3))
             2.1 0.53 0.53
! peak number h 1087  F1=  3.637  F2=  7.060   null   null  d=  4.8
assi (( resid  8 and name HN))
     (( resid  6 and name HA))
             4.8 1.19 1.19
! peak number h 672  F1=  7.067  F2=  4.193   null   null  d=  4.0
assi (( resid  8 and name HN))
     (( resid  8 and name HA))
             4.0 1.00 1.00
! peak number h 892  F1=  1.381  F2=  7.071   null   null  d=  3.7
assi (( resid  8 and name HN))
     (( resid  8 and name HB2))
             3.7 0.93 0.93
! peak number h 158  F1=  7.066  F2=  0.483   null   null  d=  3.3
assi (( resid  8 and name HN))
     (( resid  8 and name HG2))
             3.3 0.82 0.82
! peak number h 150  F1=  7.060  F2=  1.194   null   null  d=  2.7
assi (( resid  8 and name HN) or ( resid 25 and name HE2))
     (( resid  8 and name HB3) or ( resid 57 and name HB3))
             2.7 0.68 0.68
! peak number h 395  F1=  0.983  F2=  7.078   null   null  d=  3.3
assi (( resid  8 and name HN) or ( resid 25 and name HE2))
     (( resid  8 and name HD*) or ( resid 58 and name HD2*) or ( resid 58 and name HD1*))
             3.3 0.82 0.82
! peak number h 179  F1=  7.093  F2=  2.896   null   null  d=  3.2
assi (( resid  8 and name HN) or ( resid 25 and name HE2) or ( resid 20 and name HD*))
     (( resid  7 and name HB3) or ( resid 20 and name HB3))
             3.2 0.81 0.81
! peak number d 488  F1=  3.812  F2=  4.487   null   null  d=  2.1
assi (( resid  9 and name HA))
     (( resid  10 and name HD2))
             2.1 0.53 0.53
! peak number d 440  F1=  4.480  F2=  3.683   null   null  d=  2.5
assi (( resid  9 and name HA))
     (( resid  10 and name HD3))
             2.5 0.61 0.61
! peak number d 1071  F1=  4.481  F2=  2.127   null   null  d=  3.3
assi (( resid  9 and name HA))
     (( resid  10 and name HG2))
             3.3 0.82 0.82
! peak number d 1070  F1=  4.480  F2=  1.895   null   null  d=  4.7
assi (( resid  9 and name HA))
     (( resid  10 and name HG3))
             4.7 1.60 1.60
! peak number d 413  F1=  4.480  F2=  2.253   null   null  d=  2.4
assi (( resid  9 and name HA))
     (( resid  9 and name HG2))
             2.4 0.60 0.60
! peak number d 397  F1=  4.482  F2=  2.570   null   null  d=  2.7
assi (( resid  9 and name HA))
     (( resid  9 and name HG3))
             2.7 0.69 0.69
! peak number d 441  F1=  4.476  F2=  3.826   null   null  d=  2.0
assi (( resid  9 and name HA) or ( resid 38 and name HA))
     (( resid  38 and name HB2) or ( resid 10 and name HD2))
             2.0 0.50 0.50
! peak number h 671  F1=  7.225  F2=  4.488   null   null  d=  3.2
assi (( resid  9 and name HN))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             3.2 0.80 0.80
! peak number h 162  F1=  7.232  F2=  2.210   null   null  d=  2.4
assi (( resid  9 and name HN))
     (( resid  9 and name HB*))
             2.4 0.60 0.60
! peak number h 815  F1=  7.230  F2=  2.888   null   null  d=  5.1
assi (( resid  9 and name HN) or ( resid 5 and name HZ3))
     (( resid  7 and name HB3) or ( resid 45 and name HB3))
             5.1 1.27 1.27
! peak number h 670  F1=  7.263  F2=  4.507   null   null  d=  2.9
assi (( resid  9 and name HN) or ( resid 7 and name HN))
     (( resid  9 and name HA) or ( resid 7 and name HA))
             2.9 0.72 0.72
! peak number h 183  F1=  6.562  F2=  1.580   null   null  d=  2.7 TROP
! peak number d 785  F1=  4.654  F2=  6.197   null   null  d=  3.4
assi (( resid  6 and name HD*))
     (( resid  45 and name HA))
             3.4 0.85 0.85
! peak number d 776  F1=  6.184  F2=  3.638   null   null  d=  4.3
assi (( resid  6 and name HD*))
     (( resid  6 and name HA))
             4.3 1.06 1.06
! peak number d 67  F1=  6.781  F2=  1.933   null   null  d=  3.0
assi (( resid  6 and name HE*))
     (( resid  4 and name HB3))
             3.0 0.74 0.74
! peak number d 768  F1=  6.177  F2=  4.506   null   null  d=  3.8
assi (( resid  6 and name HD*))
     (( resid  7 and name HA))
             3.8 0.94 0.94
! peak number h 529  F1=  3.646  F2=  7.227   null   null  d=  3.3
assi (( resid  9 and name HN))
     (( resid  6 and name HA))
             3.3 0.82 0.82





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