*HEADER   MEMBRANE PROTEIN                        23-AUG-95   1DEP              
*TITLE    MEMBRANE PROTEIN, NMR, 1 STRUCTURE                                    
*COMPND   MOL_ID: 1;                                                            
*COMPND  2 MOLECULE: T345-359;                                                  
*COMPND  3 CHAIN: NULL;                                                         
*COMPND  4 ENGINEERED: YES;                                                     
*COMPND  5 OTHER_DETAILS: THE PEPTIDE T345-359 REPRESENTS THE FOURTH            
*COMPND  6 INTRACELLULAR LOOP OF THE BETA-ADRENOCEPTOR FROM TURKEY              
*SOURCE   MOL_ID: 1;                                                            
*SOURCE  2 SYNTHETIC: PART OF THE SEQUENCE OF THE BETA-ADRENOCEPTOR             
*SOURCE  3 FROM TURKEY;                                                         
*SOURCE  4 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO;                            
*SOURCE  5 ORGANISM_COMMON: TURKEY;                                             
*KEYWDS   BETA-ADRENOCEPTOR, MICELLE-BOUND PEPTIDE, MEMBRANE PROTEIN            
*EXPDTA   NMR, 1 STRUCTURE                                                      
*AUTHOR   H.JUNG,K.D.SCHNACKERZ                                                 
*REVDAT  1   14-OCT-96 1DEP    0                                                




assign (resid 1 and name hb#) (resid 3 and name hd#) 5.00 3.20 2.50
assign (resid 1 and name hb1) (resid 3 and name hb1) 5.00 3.20 0.50
assign (resid 1 and name hg#) (resid 3 and name ha)  5.00 3.20 1.50

assign (resid 2 and name ha) (resid 3 and name hd#)  2.80 1.00 1.50 

assign (resid 3 and name hb1) (resid 4 and name hn)  5.00 3.20 0.50

assign (resid 4 and name ha) (resid 7 and name hn)   3.80 2.00 0.50

assign (resid 5 and name hn) (resid 6 and name hn)   3.80 2.00 0.50 
assign (resid 5 and name ha) (resid 6 and name hn)   5.00 3.20 0.50
assign (resid 5 and name hb#) (resid 6 and name hn)  5.00 3.20 1.50 
assign (resid 5 and name ha) (resid 8 and name hn)   5.00 3.20 0.50 
assign (resid 5 and name ha) (resid 8 and name hb#)  3.80 2.00 1.50

assign (resid 6 and name hn) (resid 7 and name hn)   3.80 2.00 0.50
assign (resid 6 and name ha) (resid 7 and name hn)   3.80 2.00 0.50

assign (resid 7 and name ha) (resid 8 and name hn)   5.00 3.20 0.50
assign (resid 7 and name ha) (resid 10 and name hn)  5.00 3.20 0.50 
assign (resid 7 and name ha) (resid 10 and name hb1) 3.80 2.00 0.50 

assign (resid 8 and name hn) (resid 9 and name hn)   3.80 2.00 0.50
assign (resid 8 and name ha) (resid 9 and name hn)   5.00 3.20 0.50
assign (resid 8 and name hb#) (resid 9 and name hn)  2.80 1.00 1.50

assign (resid 8 and name hb#)
  ((resid 5 and name hd#) or (resid 9 and name hd#)) 3.80 2.00 2.50
assign (resid 8 and name ha) (resid 11 and name hn)  3.80 2.00 0.50
assign (resid 8 and name ha) (resid 11 and name hb1) 3.80 2.00 0.50
assign (resid 8 and name ha) (resid 11 and name hb2) 3.80 2.00 0.50
assign (resid 8 and name ha) (resid 12 and name hn)  3.80 2.00 0.50

assign (resid 9 and name hn) (resid 10 and name hn)    3.80 2.00 0.50 
assign (resid 9 and name hb#) (resid 10 and name hn)   3.80 2.00 1.50 
assign (resid 9 and name ha) (resid 12 and name hn)    3.80 2.00 0.50
assign (resid 9 and name hd#) (resid 12 and name hd#)  3.80 2.00 2.50  
assign (resid 9 and name hd#) (resid 13 and name hd#)  2.80 1.00 2.50 

assign (resid 10 and name hn) (resid 11 and name hn)   3.80 2.00 0.50
assign (resid 10 and name ha) (resid 11 and name hn)   5.00 3.20 0.50 
assign (resid 10 and name ha) (resid 13 and name hd#)  5.00 3.20 1.50 
  
assign (resid 11 and name hn) (resid 12 and name hn)   3.80 2.00 0.50
assign (resid 11 and name hb2) (resid 12 and name hn)  5.00 3.20 0.50 

assign (resid 12 and name hn) (resid 13 and name hn)   3.80 2.00 0.50
assign (resid 12 and name ha) (resid 13 and name hn)   5.00 3.20 0.50 
assign (resid 12 and name hb#) (resid 13 and name hn)  5.00 3.20 1.50

assign (resid 12 and name hg#) (resid 13 and name hn)  3.80 2.00 1.50
assign (resid 12 and name ha) (resid 15 and name hn)   3.80 2.00 0.50
assign (resid 12 and name ha) (resid 15 and name hb1)  5.00 3.20 0.50 
assign (resid 12 and name hd#)
   ((resid 9 and name he#) or (resid 15 and name hd#)) 5.00 3.20 2.50

assign (resid 13 and name hn) (resid 14 and name hn)   3.80 2.00 0.50
assign (resid 13 and name ha) (resid 14 and name hn)   3.80 2.00 0.50
assign (resid 13 and name hg#) (resid 15 and name hn)  5.00 3.20 1.50

assign (resid 14 and name hn) (resid 15 and name hn)   3.80 2.00 0.50
assign (resid 14 and name ha) (resid 15 and name hn)   3.80 2.00 0.50
assign (resid 14 and name hb1) (resid 15 and name hn)  3.80 2.00 0.50



restraints 
  dihedral

 reset

 assign (resid 3 and name c) (resid 4 and name ca) 
       (resid 4 and name n) (resid 4 and name c) 2 -59.1 10.0 4

 assign (resid 4 and name c) (resid 5 and name ca) 
       (resid 5 and name n) (resid 5 and name c) 2 -56.7 10.0 4

 assign (resid 5 and name c) (resid 6 and name ca) 
       (resid 6 and name n) (resid 6 and name c) 2 -59.1 10.0 4

 assign (resid 6 and name c) (resid 7 and name ca) 
       (resid 7 and name n) (resid 7 and name c) 2 -56.7 10.0 4

 assign (resid 7 and name c) (resid 8 and name ca) 
       (resid 8 and name n) (resid 8 and name c) 2 -57.5 10.0 4

 assign (resid 8 and name c) (resid 9 and name ca) 
       (resid 9 and name n) (resid 9 and name c) 2 -56.7 10.0 4

 assign (resid 9 and name c) (resid 10 and name ca) 
       (resid 10 and name n) (resid 10 and name c) 2 -58.3 10.0 4

 assign (resid 10 and name c) (resid 11 and name ca)
       (resid 11 and name n) (resid 11 and name c) 2 -57.5 10.0 4

 assign (resid 11 and name c) (resid 12 and name ca) 
       (resid 12 and name n) (resid 12 and name c) 2 -57.5 10.0 4

 assign (resid 12 and name c) (resid 13 and name ca) 
       (resid 13 and name n) (resid 13 and name c) 2 -57.5 10.0 4

 assign (resid 13 and name c) (resid 14 and name ca) 
       (resid 14 and name n) (resid 14 and name c) 2 -58.3 10.0 4

 assign (resid 14 and name c) (resid 15 and name ca) 
       (resid 15 and name n) (resid 15 and name c) 2 -58.3 10.0 4

 end  


  Entry H atom name         Submitted Coord H atom name
    1   1H    ARG   1           HT2      ARG   1  19.505  -6.303  11.723
    2   2H    ARG   1           HT1      ARG   1  20.155  -5.963  13.255
    3   3H    ARG   1           HT3      ARG   1  19.160  -7.322  13.037
    4    HA   ARG   1           HA       ARG   1  17.941  -5.737  14.106
    5   1HB   ARG   1           HB2      ARG   1  19.423  -3.955  12.390
    6   2HB   ARG   1           HB1      ARG   1  17.702  -3.584  12.299
    7   1HG   ARG   1           HG2      ARG   1  18.841  -2.136  13.883
    8   2HG   ARG   1           HG1      ARG   1  17.634  -3.143  14.682
    9   1HD   ARG   1           HD2      ARG   1  20.624  -3.669  14.830
   10   2HD   ARG   1           HD1      ARG   1  19.706  -2.792  16.053
   11    HE   ARG   1           HE       ARG   1  19.541  -5.648  15.478
   12   1HH1  ARG   1          HH11      ARG   1  18.038  -2.867  16.993
   13   2HH1  ARG   1          HH12      ARG   1  17.012  -3.821  18.012
   14   1HH2  ARG   1          HH21      ARG   1  17.592  -6.605  15.964
   15   2HH2  ARG   1          HH22      ARG   1  16.702  -6.060  17.346
   16    H    SER   2           HN       SER   2  15.815  -4.570  13.241
   17    HA   SER   2           HA       SER   2  14.861  -5.929  10.784
   18   1HB   SER   2           HB2      SER   2  12.748  -6.487  11.794
   19   2HB   SER   2           HB1      SER   2  14.024  -7.147  12.816
   20    HG   SER   2           HG       SER   2  12.507  -4.779  13.247
   21    HA   PRO   3           HA       PRO   3  14.013  -1.601  10.285
   22   1HB   PRO   3           HB2      PRO   3  14.949  -1.622   7.600
   23   2HB   PRO   3           HB1      PRO   3  15.757  -0.909   8.996
   24   1HG   PRO   3           HG2      PRO   3  16.506  -3.282   7.533
   25   2HG   PRO   3           HG1      PRO   3  17.336  -2.545   8.903
   26   1HD   PRO   3           HD2      PRO   3  15.706  -4.945   8.870
   27   2HD   PRO   3           HD1      PRO   3  16.635  -4.275  10.210
   28    H    ASP   4           HN       ASP   4  13.734  -4.241   7.983
   29    HA   ASP   4           HA       ASP   4  11.775  -3.216   6.256
   30   1HB   ASP   4           HB2      ASP   4  12.593  -6.033   6.956
   31   2HB   ASP   4           HB1      ASP   4  11.215  -5.729   5.898
   32    H    PHE   5           HN       PHE   5  11.441  -5.070   9.204
   33    HA   PHE   5           HA       PHE   5   8.609  -5.328   9.091
   34   1HB   PHE   5           HB2      PHE   5  10.478  -5.364  11.473
   35   2HB   PHE   5           HB1      PHE   5   8.755  -5.728  11.563
   36    HD1  PHE   5           HD1      PHE   5   8.356  -7.240   9.041
   37    HD2  PHE   5           HD2      PHE   5  11.516  -7.430  11.884
   38    HE1  PHE   5           HE1      PHE   5   8.837  -9.558   8.348
   39    HE2  PHE   5           HE2      PHE   5  12.014  -9.736  11.190
   40    HZ   PHE   5           HZ       PHE   5  10.675 -10.809   9.421
   41    H    ARG   6           HN       ARG   6  10.677  -2.917  10.568
   42    HA   ARG   6           HA       ARG   6   8.588  -1.397  11.720
   43   1HB   ARG   6           HB2      ARG   6  11.341  -0.625  10.823
   44   2HB   ARG   6           HB1      ARG   6  10.190   0.580  11.399
   45   1HG   ARG   6           HG2      ARG   6   9.986  -0.674  13.534
   46   2HG   ARG   6           HG1      ARG   6  11.202  -1.814  12.957
   47   1HD   ARG   6           HD2      ARG   6  12.568  -0.310  14.083
   48   2HD   ARG   6           HD1      ARG   6  12.568   0.417  12.476
   49    HE   ARG   6           HE       ARG   6  10.411   1.424  14.072
   50   1HH1  ARG   6          HH22      ARG   6  13.917   2.514  13.260
   51   2HH1  ARG   6          HH21      ARG   6  13.939   2.221  14.967
   52   1HH2  ARG   6          HH11      ARG   6  11.339   2.956  15.971
   53   2HH2  ARG   6          HH12      ARG   6  11.339   4.245  14.814
   54    H    LYS   7           HN       LYS   7  10.153  -1.336   8.596
   55    HA   LYS   7           HA       LYS   7   8.831   0.950   7.598
   56   1HB   LYS   7           HB2      LYS   7  10.701  -0.801   6.496
   57   2HB   LYS   7           HB1      LYS   7   9.264  -0.975   5.488
   58   1HG   LYS   7           HG2      LYS   7  10.456   0.825   4.513
   59   2HG   LYS   7           HG1      LYS   7   9.180   1.595   5.456
   60   1HD   LYS   7           HD2      LYS   7  10.770   2.816   6.472
   61   2HD   LYS   7           HD1      LYS   7  11.346   1.332   7.230
   62   1HE   LYS   7           HE2      LYS   7  12.295   1.659   4.473
   63   2HE   LYS   7           HE1      LYS   7  12.822   2.956   5.545
   64   1HZ   LYS   7           HZ2      LYS   7  13.097   0.121   6.252
   65   2HZ   LYS   7           HZ1      LYS   7  14.283   0.960   5.373
   66   3HZ   LYS   7           HZ3      LYS   7  13.871   1.466   6.941
   67    H    ALA   8           HN       ALA   8   8.077  -2.482   7.463
   68    HA   ALA   8           HA       ALA   8   5.747  -2.167   5.886
   69   1HB   ALA   8           HB3      ALA   8   6.325  -4.377   7.867
   70   2HB   ALA   8           HB2      ALA   8   4.975  -4.356   6.733
   71   3HB   ALA   8           HB1      ALA   8   6.631  -4.422   6.131
   72    H    PHE   9           HN       PHE   9   6.288  -2.157   9.416
   73    HA   PHE   9           HA       PHE   9   3.526  -1.725   9.998
   74   1HB   PHE   9           HB2      PHE   9   5.175  -2.286  11.784
   75   2HB   PHE   9           HB1      PHE   9   5.872  -0.676  11.601
   76    HD1  PHE   9           HD2      PHE   9   2.312  -1.886  11.642
   77    HD2  PHE   9           HD1      PHE   9   5.250   0.629  13.427
   78    HE1  PHE   9           HE2      PHE   9   0.600  -0.964  13.157
   79    HE2  PHE   9           HE1      PHE   9   3.550   1.538  14.953
   80    HZ   PHE   9           HZ       PHE   9   1.224   0.743  14.822
   81    H    LYS  10           HN       LYS  10   6.061   0.521   9.254
   82    HA   LYS  10           HA       LYS  10   4.500   2.889   9.335
   83   1HB   LYS  10           HB2      LYS  10   6.984   2.848   9.154
   84   2HB   LYS  10           HB1      LYS  10   6.830   2.222   7.513
   85   1HG   LYS  10           HG2      LYS  10   7.173   4.562   7.273
   86   2HG   LYS  10           HG1      LYS  10   5.453   4.300   6.987
   87   1HD   LYS  10           HD2      LYS  10   4.937   5.061   9.260
   88   2HD   LYS  10           HD1      LYS  10   6.656   5.270   9.596
   89   1HE   LYS  10           HE2      LYS  10   6.498   6.807   7.405
   90   2HE   LYS  10           HE1      LYS  10   4.825   6.951   7.941
   91   1HZ   LYS  10           HZ2      LYS  10   5.621   7.615  10.102
   92   2HZ   LYS  10           HZ1      LYS  10   7.227   7.507   9.559
   93   3HZ   LYS  10           HZ3      LYS  10   6.178   8.662   8.887
   94    H    ARG  11           HN       ARG  11   5.017   0.660   6.796
   95    HA   ARG  11           HA       ARG  11   3.538   1.894   4.727
   96   1HB   ARG  11           HB2      ARG  11   5.245   0.207   4.252
   97   2HB   ARG  11           HB1      ARG  11   4.363  -0.992   5.197
   98   1HG   ARG  11           HG2      ARG  11   2.648  -1.167   3.601
   99   2HG   ARG  11           HG1      ARG  11   3.095   0.351   2.823
  100   1HD   ARG  11           HD2      ARG  11   5.306  -1.462   2.546
  101   2HD   ARG  11           HD1      ARG  11   3.836  -2.282   2.023
  102    HE   ARG  11           HE       ARG  11   4.663   0.429   1.154
  103   1HH1  ARG  11          HH11      ARG  11   2.748  -2.404   0.664
  104   2HH1  ARG  11          HH12      ARG  11   2.255  -1.948  -0.933
  105   1HH2  ARG  11          HH21      ARG  11   3.404   1.328  -0.349
  106   2HH2  ARG  11          HH22      ARG  11   2.575   0.333  -1.500
  107    H    LEU  12           HN       LEU  12   2.747  -0.440   7.083
  108    HA   LEU  12           HA       LEU  12   0.120  -1.084   6.245
  109   1HB   LEU  12           HB2      LEU  12   1.856  -1.601   8.598
  110   2HB   LEU  12           HB1      LEU  12   0.119  -1.689   8.884
  111    HG   LEU  12           HG       LEU  12   1.004  -3.910   8.329
  112   1HD1  LEU  12          HD12      LEU  12  -1.215  -2.770   7.208
  113   2HD1  LEU  12          HD11      LEU  12  -0.354  -3.322   5.772
  114   3HD1  LEU  12          HD13      LEU  12  -0.784  -4.471   7.039
  115   1HD2  LEU  12          HD21      LEU  12   2.329  -2.711   6.020
  116   2HD2  LEU  12          HD23      LEU  12   2.894  -3.867   7.226
  117   3HD2  LEU  12          HD22      LEU  12   1.763  -4.381   5.974
  118    H    LEU  13           HN       LEU  13   1.503   1.176   8.482
  119    HA   LEU  13           HA       LEU  13  -0.867   2.252   9.576
  120   1HB   LEU  13           HB2      LEU  13   1.837   3.541   9.164
  121   2HB   LEU  13           HB1      LEU  13   0.514   4.277  10.067
  122    HG   LEU  13           HG       LEU  13   1.597   1.550  10.752
  123   1HD1  LEU  13          HD13      LEU  13   3.326   3.517  10.871
  124   2HD1  LEU  13          HD12      LEU  13   2.380   4.030  12.268
  125   3HD1  LEU  13          HD11      LEU  13   3.152   2.444  12.260
  126   1HD2  LEU  13          HD23      LEU  13  -0.479   3.181  11.899
  127   2HD2  LEU  13          HD22      LEU  13  -0.281   1.435  11.753
  128   3HD2  LEU  13          HD21      LEU  13   0.591   2.320  13.005
  129    H    CYS  14           HN       CYS  14   0.966   3.056   6.699
  130    HA   CYS  14           HA       CYS  14  -0.614   5.361   6.041
  131   1HB   CYS  14           HB2      CYS  14   1.733   4.339   5.065
  132   2HB   CYS  14           HB1      CYS  14   0.593   3.962   3.773
  133    HG   CYS  14           HG       CYS  14   0.060   6.648   3.855
  134    H    PHE  15           HN       PHE  15  -0.841   2.036   5.094
  135    HA   PHE  15           HA       PHE  15  -3.066   2.332   3.333
  136   1HB   PHE  15           HB2      PHE  15  -2.000  -0.021   4.898
  137   2HB   PHE  15           HB1      PHE  15  -3.481  -0.138   3.947
  138    HD1  PHE  15           HD2      PHE  15  -3.399  -0.004   1.491
  139    HD2  PHE  15           HD1      PHE  15   0.149   0.195   3.821
  140    HE1  PHE  15           HE2      PHE  15  -2.039  -0.346  -0.542
  141    HE2  PHE  15           HE1      PHE  15   1.506  -0.125   1.798
  142    HZ   PHE  15           HZ       PHE  15   0.415  -0.392  -0.387
   
  No H/Q in entry =         142