*HEADER   ZINC FINGER                             21-NOV-96   1SP1    
*TITLE    NMR STRUCTURE OF A ZINC FINGER DOMAIN FROM TRANSCRIPTION    
*TITLE   2 FACTOR SP1F3, MINIMIZED AVERAGE STRUCTURE                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SP1F3;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ZINC FINGER DNA BINDING DOMAIN;                  
*COMPND  5 SYNONYM: TRANSCRIPTION FACTOR SP1;                         
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 OTHER_DETAILS: DOES NOT BIND DNA SPECIFICALLY AS A SINGLE  
*COMPND  8 ZINC FINGER                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  5 CELLULAR_LOCATION: NUCLEOPLASM                             
*KEYWDS   ZINC FINGER, TRANSCRIPTION ACTIVATION, SP1                  
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   V.A.NARAYAN,R.W.KRIWACKI,J.P.CARADONNA                      
*REVDAT  1   21-APR-97 1SP1    0                                      


				XPLOR input for Sp1f3 structure calculation


assign (resid    16 and name     hn) (resid    17 and name     hn)  2.821  0.478  0.478 !  d  h 
assign (resid    16 and name     hn) (resid    15 and name     ha)  3.708  0.825  0.825 !  d  s 
assign (resid    16 and name     hn) (resid    15 and name    hb*)  3.611  1.583  1.583 !  d  s 
assign (resid    15 and name     hn) (resid    14 and name     ha)  2.641  0.418  0.418 !  s  r 
assign (resid    14 and name     hn) (resid    13 and name     ha)  3.382  0.686  0.686 !  r  m 
assign (resid    18 and name     hn) (resid    17 and name     ha)  3.258  0.637  0.637 !  l  h 
assign (resid    19 and name     hn) (resid    18 and name     ha)  3.406  0.696  0.696 !  s  l 
assign (resid    19 and name     hn) (resid    18 and name     hn)  2.743  0.451  0.451 !  s  l 
assign (resid    19 and name     hn) (resid    20 and name     hn)  2.838  0.483  0.483 !  s  k 
assign (resid    11 and name     hn) (resid    10 and name     ha)  2.342  0.329  0.329 !  r  k 
assign (resid    20 and name     hn) (resid    19 and name    hb*)  3.002  1.341  1.341 !  k  s 
assign (resid    19 and name     hn) (resid    16 and name     ha)  3.005  0.542  0.542 !  s  d 
assign (resid    20 and name     hn) (resid    17 and name     ha)  3.074  0.567  0.567 !  k  h 
assign (resid    20 and name     hn) (resid    21 and name     hn)  3.153  0.597  0.597 !  k  h 
assign (resid    22 and name     hn) (resid    21 and name     hn)  2.821  0.478  0.478 !  i  h 
assign (resid    22 and name     hn) (resid    23 and name     hn)  2.765  0.459  0.459 !  i  k 
assign (resid    21 and name     hn) (resid    20 and name     ha)  3.214  0.620  0.620 !  h  k 
assign (resid    22 and name     hn) (resid    21 and name     ha)  3.142  0.592  0.592 !  i  h 
assign (resid    22 and name     hn) (resid    19 and name     ha)  3.042  0.555  0.555 !  i  s 
assign (resid    21 and name     hn) (resid    18 and name     ha)  3.217  0.621  0.621 !  h  l 
assign (resid    24 and name     hn) (resid    23 and name     hn)  3.380  0.685  0.685 !  t  k 
assign (resid    24 and name     hn) (resid    23 and name     ha)  2.840  0.484  0.484 !  t  k 
assign (resid    25 and name     hn) (resid    22 and name     ha)  3.516  0.742  0.742 !  h  i 
assign (resid    24 and name     hn) (resid    21 and name     ha)  3.736  0.838  0.838 !  t  h 
assign (resid    28 and name     hn) (resid    28 and name     ha)  2.823  0.478  0.478 !  k  k 
assign (resid    29 and name     hn) (resid    28 and name     ha)  2.415  0.350  0.350 !  k  k 
assign (resid    11 and name     hn) (resid    11 and name     ha)  3.208  0.617  0.617 !  r  r 
assign (resid    24 and name     hn) (resid    25 and name     hn)  2.763  0.458  0.458 !  t  h 
assign (resid    26 and name     hn) (resid    25 and name     hn)  2.860  0.491  0.491 !  q  h 
assign (resid    27 and name     hn) (resid    26 and name     hn)  3.012  0.544  0.544 !  n  q 
assign (resid     7 and name     hn) (resid     8 and name     hn)  2.530  0.384  0.384 !  e  c 
assign (resid    13 and name     hn) (resid    14 and name     hn)  3.253  0.635  0.635 !  m  r 
assign (resid     5 and name     hn) (resid     4 and name    hb*)  3.122  0.585  0.585 !  c  a 
assign (resid     7 and name     hn) (resid     6 and name     ha)  3.652  0.800  0.800 !  e  p 
assign (resid     7 and name     hn) (resid     6 and name    hd*)  3.340  1.470  1.470 !  e  p 
assign (resid     7 and name     hn) (resid     6 and name    hb*)  2.737  1.250  1.250 !  e  p 
assign (resid     8 and name     hn) (resid     7 and name     ha)  2.906  0.507  0.507 !  c  e 
assign (resid    28 and name     hn) (resid    27 and name     ha)  2.614  0.410  0.410 !  k  n 
assign (resid     3 and name     hn) (resid     2 and name     ha)  2.543  0.388  0.388 !  f  k 
assign (resid    27 and name     hn) (resid    26 and name     ha)  2.551  0.390  0.390 !  n  q 
assign (resid    10 and name     hn) (resid     9 and name     ha)  3.355  0.675  0.675 !  k  p 
assign (resid    26 and name     hn) (resid    25 and name     ha)  2.904  0.506  0.506 !  q  h 
assign (resid    13 and name     hn) (resid    12 and name    hb*)  4.134  1.825  1.825 !  m  f 
assign (resid    24 and name     hn) (resid    22 and name     ha)  3.474  0.724  0.724 !  t  i 
assign (resid    12 and name     hn) (resid     4 and name     ha)  4.140  1.029  1.029 !  f  a  
assign (resid    22 and name     hn) (resid    21 and name    hb2)  3.361  0.678  0.678 !  i  h 
assign (resid    22 and name     hn) (resid    21 and name    hb1)  3.018  0.547  0.547 !  i  h   
assign (resid    12 and name     hz) (resid    21 and name    hb*)  3.028  1.350  1.350 !  f  h 
assign (resid    12 and name     hz) (resid    21 and name    hb*)  3.175  1.405  1.405 !  f  h 
assign (resid    25 and name    hd2) (resid    22 and name     ha)  2.411  0.349  0.349 !  h  i 
assign (resid    25 and name     hn) (resid    23 and name     ha)  3.144  0.593  0.593 !  h  k 
assign (resid    25 and name     hn) (resid    24 and name     ha)  3.053  0.559  0.559 !  h  t  
assign (resid    25 and name    hd2) (resid    22 and name    hd1*) 3.765  1.851  1.851 !   h  i 
assign (resid    25 and name    hd2) (resid    22 and name    hg2*) 3.425  1.704  1.704 !  h  i 
assign (resid    25 and name    hd2) (resid    22 and name    hg1*) 2.787  1.266  1.266 !  h  i 
assign (resid    25 and name    hd2) (resid    22 and name    hg1*) 2.972  1.330  1.330 !  h  i 
assign (resid    25 and name    hd2) (resid    22 and name    hb*)  3.327  1.464  1.464 !  h  i 
assign (resid    25 and name    hd2) (resid     7 and name    hb*)  2.897  1.303  1.303 !  h  e 
assign (resid     8 and name     hn) (resid     7 and name    hb*)  2.787  1.266  1.266 !  c  e 
assign (resid     7 and name    hb*) (resid    25 and name    he1)  3.097  1.376  1.376 !  e  h 
assign (resid    12 and name     hz) (resid    10 and name    hb*)  3.101  1.377  1.377 !  f  k 
assign (resid    12 and name     hz) (resid    10 and name    hg*)  2.850  1.287  1.287 !  f  k 
assign (resid    12 and name     hz) (resid    10 and name    hd*)  2.685  1.233  1.233 !  f  k 
assign (resid    11 and name     hn) (resid    10 and name    hg*)  2.832  1.281  1.281 !  r  k 
assign (resid    11 and name     hn) (resid    10 and name    hb*)  2.830  1.281  1.281 !  r  k 
assign (resid    11 and name     hn) (resid    10 and name    hd*)  2.563  1.194  1.194 !  r  k 
assign (resid    12 and name    he*) (resid    10 and name    hb*)  2.901  3.305  3.305 !  f  k 
assign (resid    12 and name    he*) (resid    10 and name    hd*)  2.803  3.272  3.272 !  f  k 
assign (resid    12 and name    hd*) (resid    18 and name    hb*)  3.275  3.444  3.444 !  f  l 
assign (resid    12 and name    hd*) (resid    18 and name     hg)  3.018  2.547  2.547 !  f  l 
assign (resid    12 and name    hd*) (resid    18 and name    hd*)  2.987  4.035  4.035 !  f  l 
assign (resid     3 and name    hd*) (resid     2 and name    hb*)  2.792  3.268  3.268 !  f  k  
assign (resid     3 and name    he*) (resid    15 and name     ha)  2.960  2.526  2.526 !  f  s 
assign (resid     3 and name    he*) (resid    15 and name    hb*)  2.771  3.261  3.261 !  f  s 
assign (resid     3 and name    he*) (resid    15 and name    hb*)  3.002  3.341  3.341 !  f  s 
assign (resid    15 and name     hn) (resid     3 and name    hd*)  3.379  2.685  2.685 !  s  f 
assign (resid    15 and name     hn) (resid     3 and name    he*)  2.986  2.535  2.535 !  s  f 
assign (resid     3 and name    hd*) (resid    13 and name     ha)  3.135  2.590  2.590 !  f  m 
assign (resid     3 and name    hd*) (resid     2 and name     ha)  3.128  2.587  2.587 !  f  k 
assign (resid     5 and name     hn) (resid    21 and name    hd2)  3.214  0.620  0.620 !  c  h 
assign (resid     5 and name     hn) (resid    12 and name    he*)  3.317  2.660  2.660 !  c  f 
assign (resid     5 and name     hn) (resid    12 and name    hd*)  3.860  2.894  2.894 !  c  f 
assign (resid    22 and name     hn) (resid    25 and name    hd2)  4.025  0.972  0.972 !  i  h 
assign (resid    21 and name    hd2) (resid    12 and name     hz)  3.494  0.733  0.733 !  h  f 
assign (resid    21 and name    hd2) (resid    25 and name    hd2)  3.241  0.630  0.630 !  h  h 
assign (resid    21 and name    he1) (resid    12 and name     hz)  3.363  0.678  0.678 !  h  f 
assign (resid    21 and name    hd2) (resid    12 and name    he*)  3.113  2.581  2.581 !  h  f 
assign (resid    10 and name     hn) (resid    11 and name     hn)  3.500  0.735  0.735 !  k  r 
assign (resid    10 and name     hn) (resid    12 and name    he*)  3.944  2.933  2.933 !  k  f 
assign (resid    21 and name    he1) (resid    12 and name    he*)  3.385  2.687  2.687 !  h  f 
assign (resid    25 and name    he1) (resid     8 and name    hb*)  2.571  1.197  1.197 !  h  c 
assign (resid    25 and name    he1) (resid     8 and name    hb*)  2.921  1.312  1.312 !  h  c 
assign (resid    21 and name    hd2) (resid     5 and name    hb1)  2.921  0.512  0.512 !  h  c 
assign (resid    21 and name    hd2) (resid     5 and name    hb2)  2.760  0.457  0.457 !  h  c 
assign (resid    21 and name    hd2) (resid    22 and name     ha)  2.938  0.518  0.518 !  h  i 
assign (resid     8 and name     hn) (resid     5 and name    hb2)  3.154  0.597  0.597 !  c  c
assign (resid     8 and name     hn) (resid     5 and name    hb1)  2.830  0.480  0.480 !  c  c 
assign (resid     3 and name    he*) (resid    14 and name     ha)  2.748  2.453  2.453 !  f  r 
assign (resid    23 and name     hn) (resid    22 and name    hd1*) 3.909  1.917  1.917 !  k  i 
assign (resid    23 and name     hn) (resid    22 and name    hg2*) 3.605  1.780  1.780 !  k  i 
assign (resid    23 and name     hn) (resid    22 and name     ha)  3.253  0.635  0.635 !  k  i 
assign (resid    12 and name    he*) (resid     5 and name    hb1)  2.901  2.508  2.508 !  f  c
assign (resid    12 and name    he*) (resid    21 and name    hb*)  3.353  3.475  3.475 !  f  h
assign (resid    12 and name    he*) (resid    21 and name    hb2)  3.353  2.675  2.675 !  f  h
assign (resid    12 and name    he*) (resid     5 and name    hb2)  3.050  2.558  2.558 !  f  c 
assign (resid    12 and name    he*) (resid    18 and name     ha)  3.231  2.626  2.626 !  f  l 
assign (resid    12 and name    hd*) (resid    18 and name     ha)  2.716  2.443  2.443 !  f  l 
assign (resid    12 and name    he*) (resid    21 and name    hb1)  3.221  2.623  2.623 !  f  h 
assign (resid    21 and name     hn) (resid    20 and name    hb*)  2.918  1.311  1.311 !  h  k 
assign (resid    21 and name     hn) (resid    20 and name    hg*)  3.482  1.528  1.528 !  h  k 
assign (resid    16 and name     hn) (resid    14 and name    hg*)  3.123  1.385  1.385 !  d  r 
assign (resid    15 and name     hn) (resid    14 and name    hg*)  3.180  1.407  1.407 !  s  r 
assign (resid    26 and name     hn) (resid    25 and name    hb*)  3.081  0.570  0.570 !  q  h 
assign (resid    26 and name     hn) (resid    25 and name    hb*)  3.164  1.401  1.401 !  q  h 
assign (resid     9 and name    hd*) (resid     8 and name    hb*)  3.171  2.203  2.203 !  p  c 
assign (resid     9 and name    hd*) (resid     8 and name    hb*)  3.122  2.185  2.185 !  p  c 
assign (resid    16 and name     ha) (resid    19 and name    hb*)  3.192  1.411  1.411 !  d  s 
assign (resid    15 and name     ha) (resid    18 and name     hg)  2.969  0.529  0.529 !  s  l 
assign (resid    15 and name     ha) (resid    18 and name    hd*)  3.310  2.157  2.157 !  s  l 
assign (resid     5 and name    hb1) (resid    18 and name    hd*) 3.681  2.313  2.313 !  c  i 
assign (resid    19 and name     ha) (resid    22 and name    hb*)  2.888  1.300  1.300 !  s  i 
assign (resid    19 and name     ha) (resid    22 and name    hd1*) 3.180  1.608  1.608 !  s  i 
assign (resid    21 and name     ha) (resid    24 and name    hg*)  2.792  1.268  1.268 !  h  t 
assign (resid     9 and name    hd*) (resid     8 and name    hb*)  2.908  2.108  2.108 !  p  c 
assign (resid    18 and name     ha) (resid    21 and name    hb1)  2.866  0.493  0.493 !  l  h 
assign (resid     5 and name    hb*) (resid    18 and name    hd2) 3.273  2.142  2.142 !  c  i
assign (resid    15 and name     ha) (resid    18 and name    hb*)  2.771  1.261  1.261 !  s  l 
assign (resid    18 and name     ha) (resid    21 and name    hb2)  3.712  0.827  0.827 !  l  h 
assign (resid    21 and name    hd2) (resid    22 and name    hg1*) 2.775  1.262  1.262 !  h  i 
assign (resid    21 and name    hd2) (resid    22 and name    hd1*) 3.652  0.800  0.800 !  h  i 
assign (resid    12 and name     hn) (resid    11 and name    hb*)  2.568  1.196  1.196 !  f  r 
assign (resid    18 and name     hn) (resid    15 and name     ha)  3.187  0.609  0.609 !  l  s 
assign (resid    19 and name     hn) (resid    15 and name     ha)  3.177  0.606  0.606 !  s  s 
assign (resid    11 and name     hn) (resid    10 and name    he*)  3.076  1.368  1.368 !  r  k 
assign (resid    10 and name     hn) (resid     5 and name    hb1)  3.645  0.797  0.797 !  k  c 
assign (resid    10 and name     hn) (resid     9 and name    hb*)  3.743  1.641  1.641 !  k  p 
assign (resid    10 and name     hn) (resid     9 and name    hd*)  3.677  1.611  1.611 !  k  p 
assign (resid    28 and name     hn) (resid    27 and name    hb*)  3.250  1.434  1.434 !  k  n 
assign (resid     5 and name     hn) (resid    18 and name    hd*)  3.610  2.282  2.282 !  c  i 
assign (resid     5 and name     hn) (resid    18 and name    hd*)  3.610  2.542  2.542 !  c  i 
assign (resid     5 and name     hn) (resid    22 and name    hg1*) 2.657  1.224  1.224 !  c  i 
assign (resid    27 and name     hn) (resid    26 and name    hb*)  3.168  1.402  1.402 !  n  q 
assign (resid    27 and name     hn) (resid    26 and name    hb*)  2.842  1.285  1.285 !  n  q 
assign (resid    19 and name     hn) (resid    18 and name    hb*)  2.777  1.263  1.263 !  s  l 
assign (resid     8 and name     hn) (resid     7 and name    hg*)  2.946  1.321  1.321 !  c  e 
assign (resid     8 and name     hn) (resid     7 and name    hg*)  2.938  1.318  1.318 !  c  e 
assign (resid    26 and name     hn) (resid    23 and name     ha)  3.128  0.587  0.587 !  q  k 
assign (resid    26 and name     hn) (resid    24 and name     ha)  3.494  0.733  0.733 !  q  t 
assign (resid    23 and name     hn) (resid    22 and name    hb*)  3.371  1.482  1.482 !  k  i 
assign (resid    25 and name     hn) (resid    24 and name   hg2*)  3.797  0.865  0.865 !  h  t 
assign (resid     3 and name     hn) (resid     2 and name     hb*) 2.639  0.418  0.418 !  f  k 
assign (resid     3 and name    he*) (resid     2 and name    hb*)  2.776  3.262  3.262 !  f  k 
assign (resid     3 and name    he*) (resid     2 and name    hd*)  3.097  3.375  3.375 !  f  k 
assign (resid     3 and name    hd*) (resid     2 and name    hd*)  3.171  3.403  3.403 !  f  k 
assign (resid    21 and name    hd2) (resid    22 and name    hg1*) 3.166  1.401  1.401 !  h  i 
assign (resid    19 and name     hn) (resid    18 and name     hg)  3.367  0.680  0.680 !  s  l 
assign (resid    18 and name    hb*) (resid     3 and name    hd*)  3.440  3.510  3.510 !  l  f
assign (resid      4 and name    hn ) (resid    18 and name    hd*)  2.894  2.002  2.002 !  a  l
assign (resid      3 and name    hd*) (resid    18 and name    hd*)  2.735  3.949  3.949 !  f  l
assign (resid      3 and name    hb*) (resid    18 and name    hd*)  2.461  2.663  2.663 !  f  l
assign (resid      3 and name    hb*) (resid    18 and name    hd*)  2.731  2.747  2.747 !  f  l
assign (resid   5  and name sg  )  (resid    1  and name zn  )   2.300 0.050 0.050! 0.00 c zn 
assign (resid   8 and name sg  )   (resid    1  and name zn  )   2.300 0.050 0.050! 0.00 c zn
assign (resid   21 and name ne2 )  (resid    1  and name zn  )   2.085 0.050 0.050! 0.00 h zn
assign (resid   25 and name ne2 )  (resid    1  and name zn  )   2.085 0.050 0.050! 0.00 h zn
assign (resid   5  and name sg  )  (resid   8 and name sg )    3.701 0.283 0.283!
assign (resid   21 and name ne2 )  (resid   25 and name ne2)   3.354 0.256 0.256!
assign (resid   5  and name sg  )  (resid   21 and name ne2 )  3.530 0.269 0.269!
assign (resid   8 and name sg  )   (resid   25 and name ne2 )  3.530 0.269 0.269!
assign (resid   5  and name sg  )  (resid   25 and name ne2 )  3.530 0.269 0.269!
assign (resid   8 and name sg  )   (resid   21 and name ne2 )  3.530 0.269 0.269!

  Entry H atom name         Submitted Coord H atom name
    1   1H    LYS   1           HT1      LYS   1  10.024   5.039  -3.287
    2   2H    LYS   1           HT3      LYS   1  11.404   6.022  -3.223
    3   3H    LYS   1           HT2      LYS   1  10.398   6.063  -4.591
    4    HA   LYS   1           HA       LYS   1  11.598   4.490  -5.544
    5   1HB   LYS   1           HB2      LYS   1  13.077   5.069  -3.080
    6   2HB   LYS   1           HB1      LYS   1  13.374   3.442  -3.693
    7   1HG   LYS   1           HG2      LYS   1  14.768   4.327  -5.221
    8   2HG   LYS   1           HG1      LYS   1  13.382   5.135  -5.954
    9   1HD   LYS   1           HD2      LYS   1  13.816   6.804  -3.876
   10   2HD   LYS   1           HD1      LYS   1  15.462   6.224  -4.132
   11   1HE   LYS   1           HE2      LYS   1  14.110   6.861  -6.644
   12   2HE   LYS   1           HE1      LYS   1  14.215   8.254  -5.566
   13   1HZ   LYS   1           HZ3      LYS   1  16.623   6.671  -5.710
   14   2HZ   LYS   1           HZ2      LYS   1  16.194   7.411  -7.177
   15   3HZ   LYS   1           HZ1      LYS   1  16.424   8.353  -5.782
   16    H    LYS   2           HN       LYS   2  11.958   2.099  -5.589
   17    HA   LYS   2           HA       LYS   2  11.069  -0.058  -5.313
   18   1HB   LYS   2           HB2      LYS   2  10.854   0.741  -2.399
   19   2HB   LYS   2           HB1      LYS   2  11.051  -0.885  -3.055
   20   1HG   LYS   2           HG2      LYS   2  13.251  -0.069  -4.061
   21   2HG   LYS   2           HG1      LYS   2  13.069   1.368  -3.054
   22   1HD   LYS   2           HD2      LYS   2  14.106   0.176  -1.435
   23   2HD   LYS   2           HD1      LYS   2  12.582  -0.699  -1.276
   24   1HE   LYS   2           HE2      LYS   2  13.382  -2.283  -3.057
   25   2HE   LYS   2           HE1      LYS   2  14.947  -1.470  -3.009
   26   1HZ   LYS   2           HZ3      LYS   2  14.406  -1.978  -0.398
   27   2HZ   LYS   2           HZ2      LYS   2  13.815  -3.365  -1.180
   28   3HZ   LYS   2           HZ1      LYS   2  15.434  -2.894  -1.388
   29    H    PHE   3           HN       PHE   3   9.104  -1.019  -3.545
   30    HA   PHE   3           HA       PHE   3   6.728   0.391  -4.629
   31   1HB   PHE   3           HB2      PHE   3   5.560  -1.695  -3.608
   32   2HB   PHE   3           HB1      PHE   3   6.558  -1.923  -5.044
   33    HD1  PHE   3           HD1      PHE   3   6.891  -1.858  -1.304
   34    HD2  PHE   3           HD2      PHE   3   8.171  -3.599  -5.016
   35    HE1  PHE   3           HE1      PHE   3   8.325  -3.455  -0.060
   36    HE2  PHE   3           HE2      PHE   3   9.605  -5.196  -3.773
   37    HZ   PHE   3           HZ       PHE   3   9.683  -5.124  -1.295
   38    H    ALA   4           HN       ALA   4   5.017   1.078  -3.243
   39    HA   ALA   4           HA       ALA   4   4.822   0.752  -0.463
   40   1HB   ALA   4           HB1      ALA   4   6.931   2.633  -1.283
   41   2HB   ALA   4           HB3      ALA   4   5.773   3.322  -0.145
   42   3HB   ALA   4           HB2      ALA   4   6.662   1.859   0.278
   43    H    CYS   5           HN       CYS   5   2.946   1.768   0.241
   44    HA   CYS   5           HA       CYS   5   0.976   2.671  -1.408
   45   1HB   CYS   5           HB2      CYS   5   0.873   2.423   1.118
   46   2HB   CYS   5           HB1      CYS   5   1.502   4.050   1.227
   47    HA   PRO   6           HA       PRO   6   3.112   6.301  -3.097
   48   1HB   PRO   6           HB2      PRO   6   0.983   6.445  -5.028
   49   2HB   PRO   6           HB1      PRO   6   2.656   5.938  -5.299
   50   1HG   PRO   6           HG2      PRO   6   0.303   4.274  -5.260
   51   2HG   PRO   6           HG1      PRO   6   1.979   3.772  -5.514
   52   1HD   PRO   6           HD2      PRO   6   0.337   3.344  -3.177
   53   2HD   PRO   6           HD1      PRO   6   2.013   2.823  -3.445
   54    H    GLU   7           HN       GLU   7   0.019   5.678  -1.771
   55    HA   GLU   7           HA       GLU   7  -1.042   8.377  -2.008
   56   1HB   GLU   7           HB2      GLU   7  -1.948   6.302  -0.016
   57   2HB   GLU   7           HB1      GLU   7  -2.899   7.578  -0.778
   58   1HG   GLU   7           HG2      GLU   7  -2.000   6.211  -2.969
   59   2HG   GLU   7           HG1      GLU   7  -2.180   4.903  -1.800
   60    H    CYS   8           HN       CYS   8   0.333   6.442   0.686
   61    HA   CYS   8           HA       CYS   8   0.797   9.063   2.062
   62   1HB   CYS   8           HB2      CYS   8   0.618   7.895   4.193
   63   2HB   CYS   8           HB1      CYS   8  -0.822   7.568   3.230
   64    HA   PRO   9           HA       PRO   9   5.104   8.264   1.717
   65   1HB   PRO   9           HB2      PRO   9   5.742   9.725   4.084
   66   2HB   PRO   9           HB1      PRO   9   5.788  10.310   2.415
   67   1HG   PRO   9           HG2      PRO   9   3.884  10.990   4.491
   68   2HG   PRO   9           HG1      PRO   9   3.986  11.634   2.848
   69   1HD   PRO   9           HD2      PRO   9   2.037   9.794   3.896
   70   2HD   PRO   9           HD1      PRO   9   2.159  10.421   2.240
   71    H    LYS  10           HN       LYS  10   4.700   5.909   2.423
   72    HA   LYS  10           HA       LYS  10   5.684   5.510   5.214
   73   1HB   LYS  10           HB2      LYS  10   3.367   4.350   3.795
   74   2HB   LYS  10           HB1      LYS  10   4.373   3.177   4.646
   75   1HG   LYS  10           HG2      LYS  10   3.778   5.664   6.143
   76   2HG   LYS  10           HG1      LYS  10   2.398   4.605   5.851
   77   1HD   LYS  10           HD2      LYS  10   3.250   3.746   7.853
   78   2HD   LYS  10           HD1      LYS  10   4.021   2.709   6.653
   79   1HE   LYS  10           HE2      LYS  10   6.098   3.670   6.950
   80   2HE   LYS  10           HE1      LYS  10   5.424   5.237   7.400
   81   1HZ   LYS  10           HZ3      LYS  10   5.354   2.796   9.090
   82   2HZ   LYS  10           HZ2      LYS  10   6.435   4.092   9.288
   83   3HZ   LYS  10           HZ1      LYS  10   4.769   4.328   9.523
   84    H    ARG  11           HN       ARG  11   6.231   2.859   5.147
   85    HA   ARG  11           HA       ARG  11   7.899   2.351   2.742
   86   1HB   ARG  11           HB2      ARG  11   8.951   2.295   5.589
   87   2HB   ARG  11           HB1      ARG  11   9.848   1.784   4.159
   88   1HG   ARG  11           HG2      ARG  11   9.708   4.041   3.225
   89   2HG   ARG  11           HG1      ARG  11   8.735   4.571   4.597
   90   1HD   ARG  11           HD2      ARG  11  11.395   3.299   5.130
   91   2HD   ARG  11           HD1      ARG  11  11.358   4.970   4.570
   92    HE   ARG  11           HE       ARG  11  10.997   4.360   7.211
   93   1HH1  ARG  11          HH21      ARG  11   8.157   3.883   7.004
   94   2HH1  ARG  11          HH22      ARG  11   7.453   5.463   7.089
   95   1HH2  ARG  11          HH11      ARG  11  10.414   7.111   6.355
   96   2HH2  ARG  11          HH12      ARG  11   8.731   7.290   6.724
   97    H    PHE  12           HN       PHE  12   8.021   0.162   2.252
   98    HA   PHE  12           HA       PHE  12   7.121  -1.784   4.308
   99   1HB   PHE  12           HB2      PHE  12   5.941  -1.605   1.519
  100   2HB   PHE  12           HB1      PHE  12   5.564  -2.839   2.721
  101    HD1  PHE  12           HD1      PHE  12   5.358   0.798   1.977
  102    HD2  PHE  12           HD2      PHE  12   4.038  -2.411   4.511
  103    HE1  PHE  12           HE1      PHE  12   3.639   2.285   2.966
  104    HE2  PHE  12           HE2      PHE  12   2.320  -0.922   5.501
  105    HZ   PHE  12           HZ       PHE  12   2.120   1.426   4.728
  106    H    MET  13           HN       MET  13   7.382  -4.101   3.307
  107    HA   MET  13           HA       MET  13   9.733  -4.158   1.471
  108   1HB   MET  13           HB2      MET  13   9.437  -5.603   4.119
  109   2HB   MET  13           HB1      MET  13  10.657  -6.021   2.915
  110   1HG   MET  13           HG2      MET  13  11.512  -3.689   3.007
  111   2HG   MET  13           HG1      MET  13  10.335  -3.327   4.269
  112   1HE   MET  13           HE2      MET  13  12.786  -6.097   3.212
  113   2HE   MET  13           HE1      MET  13  13.795  -4.666   3.405
  114   3HE   MET  13           HE3      MET  13  14.008  -6.054   4.481
  115    H    ARG  14           HN       ARG  14   7.053  -4.628   0.730
  116    HA   ARG  14           HA       ARG  14   7.263  -7.205  -0.505
  117   1HB   ARG  14           HB2      ARG  14   6.497  -7.442   2.125
  118   2HB   ARG  14           HB1      ARG  14   4.939  -7.356   1.302
  119   1HG   ARG  14           HG2      ARG  14   5.318  -9.301   0.087
  120   2HG   ARG  14           HG1      ARG  14   7.072  -9.139   0.180
  121   1HD   ARG  14           HD2      ARG  14   6.654  -9.447   2.770
  122   2HD   ARG  14           HD1      ARG  14   5.157 -10.205   2.228
  123    HE   ARG  14           HE       ARG  14   7.488 -11.620   2.304
  124   1HH1  ARG  14          HH21      ARG  14   4.831 -11.629   0.380
  125   2HH1  ARG  14          HH22      ARG  14   5.585 -12.309  -1.023
  126   1HH2  ARG  14          HH11      ARG  14   8.806 -11.957   0.212
  127   2HH2  ARG  14          HH12      ARG  14   7.836 -12.496  -1.118
  128    H    SER  15           HN       SER  15   5.070  -7.774  -1.579
  129    HA   SER  15           HA       SER  15   3.742  -5.205  -2.334
  130   1HB   SER  15           HB2      SER  15   3.272  -6.192  -4.469
  131   2HB   SER  15           HB1      SER  15   4.957  -6.564  -4.114
  132    HG   SER  15           HG       SER  15   2.767  -8.219  -4.323
  133    H    ASP  16           HN       ASP  16   3.236  -8.373  -0.992
  134    HA   ASP  16           HA       ASP  16   0.364  -8.439  -1.410
  135   1HB   ASP  16           HB2      ASP  16   2.203  -9.939   0.475
  136   2HB   ASP  16           HB1      ASP  16   0.466 -10.234   0.382
  137    H    HIS  17           HN       HIS  17   2.031  -8.359   1.749
  138    HA   HIS  17           HA       HIS  17  -0.121  -7.214   3.170
  139   1HB   HIS  17           HB2      HIS  17   2.579  -7.907   3.713
  140   2HB   HIS  17           HB1      HIS  17   2.368  -6.238   4.241
  141    HD1  HIS  17           HD1      HIS  17  -0.195  -6.000   5.538
  142    HD2  HIS  17           HD2      HIS  17   1.886  -9.605   5.759
  143    HE1  HIS  17           HE1      HIS  17  -1.131  -7.246   7.535
  144    H    LEU  18           HN       LEU  18   2.305  -5.707   1.136
  145    HA   LEU  18           HA       LEU  18   1.840  -2.999   2.027
  146   1HB   LEU  18           HB2      LEU  18   3.874  -3.347   0.867
  147   2HB   LEU  18           HB1      LEU  18   3.080  -4.225  -0.438
  148    HG   LEU  18           HG       LEU  18   2.119  -2.236  -1.330
  149   1HD1  LEU  18          HD11      LEU  18   2.402  -1.320   1.420
  150   2HD1  LEU  18          HD13      LEU  18   2.983  -0.112   0.275
  151   3HD1  LEU  18          HD12      LEU  18   1.334  -0.723   0.150
  152   1HD2  LEU  18          HD23      LEU  18   4.956  -1.788  -0.374
  153   2HD2  LEU  18          HD22      LEU  18   4.425  -2.361  -1.955
  154   3HD2  LEU  18          HD21      LEU  18   4.146  -0.684  -1.485
  155    H    SER  19           HN       SER  19   0.495  -4.995  -0.594
  156    HA   SER  19           HA       SER  19  -1.116  -2.899  -1.730
  157   1HB   SER  19           HB2      SER  19  -0.556  -5.037  -2.900
  158   2HB   SER  19           HB1      SER  19  -1.616  -5.891  -1.782
  159    HG   SER  19           HG       SER  19  -2.453  -5.061  -3.935
  160    H    LYS  20           HN       LYS  20  -1.981  -5.598   0.468
  161    HA   LYS  20           HA       LYS  20  -4.664  -5.025   0.901
  162   1HB   LYS  20           HB2      LYS  20  -2.565  -6.403   2.349
  163   2HB   LYS  20           HB1      LYS  20  -3.646  -5.573   3.469
  164   1HG   LYS  20           HG2      LYS  20  -5.573  -6.686   2.570
  165   2HG   LYS  20           HG1      LYS  20  -4.645  -7.324   1.212
  166   1HD   LYS  20           HD2      LYS  20  -3.244  -8.189   3.470
  167   2HD   LYS  20           HD1      LYS  20  -4.941  -8.396   3.903
  168   1HE   LYS  20           HE2      LYS  20  -3.737  -9.384   1.304
  169   2HE   LYS  20           HE1      LYS  20  -3.937 -10.391   2.738
  170   1HZ   LYS  20           HZ1      LYS  20  -6.303  -8.933   1.969
  171   2HZ   LYS  20           HZ3      LYS  20  -5.793 -10.070   0.818
  172   3HZ   LYS  20           HZ2      LYS  20  -6.125 -10.565   2.409
  173    H    HIS  21           HN       HIS  21  -1.860  -3.423   2.394
  174    HA   HIS  21           HA       HIS  21  -3.308  -1.745   4.180
  175   1HB   HIS  21           HB2      HIS  21  -0.998  -1.732   4.561
  176   2HB   HIS  21           HB1      HIS  21  -0.615  -1.580   2.848
  177    HD1  HIS  21           HD1      HIS  21  -1.777   0.453   5.811
  178    HD2  HIS  21           HD2      HIS  21  -0.538   1.076   1.878
  179    HE1  HIS  21           HE1      HIS  21  -1.527   2.957   5.523
  180    H    ILE  22           HN       ILE  22  -2.113  -1.029   0.880
  181    HA   ILE  22           HA       ILE  22  -3.328   1.542   0.696
  182    HB   ILE  22           HB       ILE  22  -2.829  -0.373  -1.595
  183   1HG1  ILE  22          HG12      ILE  22  -0.903   1.666  -0.448
  184   2HG1  ILE  22          HG11      ILE  22  -0.847  -0.043  -0.025
  185   1HG2  ILE  22          HG22      ILE  22  -4.140   1.671  -2.108
  186   2HG2  ILE  22          HG21      ILE  22  -2.838   2.655  -1.440
  187   3HG2  ILE  22          HG23      ILE  22  -2.560   1.691  -2.890
  188   1HD1  ILE  22          HD12      ILE  22  -0.928   0.675  -2.923
  189   2HD1  ILE  22          HD11      ILE  22   0.585   0.923  -2.052
  190   3HD1  ILE  22          HD13      ILE  22  -0.136  -0.685  -2.126
  191    H    LYS  23           HN       LYS  23  -4.707  -1.611   0.591
  192    HA   LYS  23           HA       LYS  23  -6.987  -1.068  -1.056
  193   1HB   LYS  23           HB2      LYS  23  -6.002  -3.264   0.363
  194   2HB   LYS  23           HB1      LYS  23  -7.550  -2.907   1.130
  195   1HG   LYS  23           HG2      LYS  23  -7.485  -2.846  -1.847
  196   2HG   LYS  23           HG1      LYS  23  -7.361  -4.430  -1.081
  197   1HD   LYS  23           HD2      LYS  23  -9.377  -3.282   0.378
  198   2HD   LYS  23           HD1      LYS  23  -9.658  -2.584  -1.218
  199   1HE   LYS  23           HE2      LYS  23 -10.889  -4.663  -1.093
  200   2HE   LYS  23           HE1      LYS  23  -9.520  -4.908  -2.178
  201   1HZ   LYS  23           HZ2      LYS  23  -9.366  -5.537   0.708
  202   2HZ   LYS  23           HZ1      LYS  23  -9.924  -6.670  -0.428
  203   3HZ   LYS  23           HZ3      LYS  23  -8.344  -6.065  -0.543
  204    H    THR  24           HN       THR  24  -6.273  -0.377   2.298
  205    HA   THR  24           HA       THR  24  -9.040   0.330   2.942
  206    HB   THR  24           HB       THR  24  -8.273   0.727   5.118
  207    HG1  THR  24           HG1      THR  24  -6.020   1.621   3.764
  208   1HG2  THR  24          HG23      THR  24  -7.351  -1.538   3.804
  209   2HG2  THR  24          HG22      THR  24  -5.917  -0.931   4.632
  210   3HG2  THR  24          HG21      THR  24  -7.376  -1.298   5.552
  211    H    HIS  25           HN       HIS  25  -6.532   1.824   1.256
  212    HA   HIS  25           HA       HIS  25  -7.106   4.569   2.088
  213   1HB   HIS  25           HB2      HIS  25  -5.301   3.225   0.144
  214   2HB   HIS  25           HB1      HIS  25  -5.786   4.873  -0.251
  215    HD1  HIS  25           HD1      HIS  25  -5.781   6.302   2.364
  216    HD2  HIS  25           HD2      HIS  25  -2.882   3.450   1.442
  217    HE1  HIS  25           HE1      HIS  25  -3.785   6.809   3.841
  218    H    GLN  26           HN       GLN  26  -8.366   2.303  -0.203
  219    HA   GLN  26           HA       GLN  26 -10.047   4.487  -1.372
  220   1HB   GLN  26           HB2      GLN  26  -8.336   2.585  -2.681
  221   2HB   GLN  26           HB1      GLN  26 -10.011   2.278  -3.140
  222   1HG   GLN  26           HG2      GLN  26  -9.288   3.897  -4.704
  223   2HG   GLN  26           HG1      GLN  26 -10.174   4.834  -3.501
  224   1HE2  GLN  26          HE22      GLN  26  -6.967   6.619  -3.984
  225   2HE2  GLN  26          HE21      GLN  26  -8.363   6.312  -4.900
  226    H    ASN  27           HN       ASN  27 -11.230   3.641   0.710
  227    HA   ASN  27           HA       ASN  27 -12.496   1.115   0.794
  228   1HB   ASN  27           HB2      ASN  27 -12.478   3.081   2.527
  229   2HB   ASN  27           HB1      ASN  27 -13.940   3.597   1.687
  230   1HD2  ASN  27          HD22      ASN  27 -14.767   1.150   4.473
  231   2HD2  ASN  27          HD21      ASN  27 -13.832   2.566   4.446
  232    H    LYS  28           HN       LYS  28 -14.050   0.224  -0.469
  233    HA   LYS  28           HA       LYS  28 -15.510   0.031  -2.304
  234   1HB   LYS  28           HB2      LYS  28 -17.569   1.263  -2.015
  235   2HB   LYS  28           HB1      LYS  28 -16.967   0.835  -0.413
  236   1HG   LYS  28           HG2      LYS  28 -16.243   3.030   0.036
  237   2HG   LYS  28           HG1      LYS  28 -16.250   3.478  -1.670
  238   1HD   LYS  28           HD2      LYS  28 -18.535   3.806  -1.720
  239   2HD   LYS  28           HD1      LYS  28 -18.839   2.620  -0.450
  240   1HE   LYS  28           HE2      LYS  28 -17.878   4.173   1.221
  241   2HE   LYS  28           HE1      LYS  28 -17.608   5.364  -0.052
  242   1HZ   LYS  28           HZ1      LYS  28 -20.296   4.317   0.062
  243   2HZ   LYS  28           HZ3      LYS  28 -19.837   5.200   1.436
  244   3HZ   LYS  28           HZ2      LYS  28 -19.758   5.920  -0.101
  245    H    LYS  29           HN       LYS  29 -16.859   1.758  -3.891
  246    HA   LYS  29           HA       LYS  29 -16.391   2.892  -5.915
  247   1HB   LYS  29           HB2      LYS  29 -15.981   5.217  -5.531
  248   2HB   LYS  29           HB1      LYS  29 -16.896   4.644  -4.136
  249   1HG   LYS  29           HG2      LYS  29 -14.841   4.422  -2.833
  250   2HG   LYS  29           HG1      LYS  29 -13.876   4.892  -4.233
  251   1HD   LYS  29           HD2      LYS  29 -14.126   6.857  -2.871
  252   2HD   LYS  29           HD1      LYS  29 -15.180   7.066  -4.270
  253   1HE   LYS  29           HE2      LYS  29 -17.013   5.987  -2.779
  254   2HE   LYS  29           HE1      LYS  29 -15.935   6.372  -1.437
  255   1HZ   LYS  29           HZ3      LYS  29 -15.886   8.692  -2.347
  256   2HZ   LYS  29           HZ2      LYS  29 -17.161   8.245  -3.378
  257   3HZ   LYS  29           HZ1      LYS  29 -17.372   8.203  -1.693
   
  No H/Q in entry =         257