*HEADER   ZINC FINGER                             21-NOV-96   1SP2    
*TITLE    NMR STRUCTURE OF A ZINC FINGER DOMAIN FROM TRANSCRIPTION    
*TITLE   2 FACTOR SP1F2, MINIMIZED AVERAGE STRUCTURE                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SP1F2;                                           
*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 1SP2    0                                      

				XPLOR input for Sp1f2 structure calculation


assign (resid  28 and name hn   ) (resid   27 and name hn   )  2.579 0.399 0.399! 0.000t h 
assign (resid  18 and name hn   ) (resid   17 and name hn   )  3.717 0.829 0.829! 0.000d s 
assign (resid  27 and name he1  ) (resid    7 and name hd1  )  3.087 0.572 0.572! 0.000h w 
assign (resid  10 and name hn   ) (resid    7 and name hd1  )  3.789 0.861 0.861! 0.000c w 
assign (resid   3 and name hb*  ) (resid   20 and name hd*  )  2.934 2.817 2.817! 0.000f l 
assign (resid   5 and name hb2  ) (resid   20 and name hd2* )  3.018 2.046 2.046! 0.000c l 
 
assign (resid  17 and name ha   ) (resid   20 and name hg   )  2.936 0.517 0.517! 0.000s l 
assign (resid  23 and name ha   ) (resid   26 and name hg2* )  3.634 2.292 2.292! 0.000h t 
assign (resid  21 and name ha   ) (resid   24 and name hb*  )  3.168 1.402 1.402! 0.000q k 
assign (resid   5 and name hb2  ) (resid   20 and name hg   )  3.704 0.823 0.823! 0.000c l 
 
assign (resid  14 and name hb2  ) (resid   20 and name hg   )  3.391 0.690 0.690! 0.000f l 
 
assign (resid  18 and name ha   ) (resid   21 and name hg*  )  3.900 1.713 1.713! 0.000d q 
assign (resid  18 and name ha   ) (resid   21 and name hb*  )  2.769 1.260 1.260! 0.000d q 
assign (resid   10 and name hb2 ) (resid    7 and name hb1  )  3.005 0.542 0.542! 0.000c w 
  
assign (resid  23 and name hd2  ) (resid    5 and name hb1  )  2.942 0.519 0.519! 0.000h c 
 
assign (resid  23 and name hn   ) (resid   20 and name ha   )  3.112 0.581 0.581! 0.000h l 
assign (resid  26 and name hn   ) (resid   25 and name ha   )  2.910 0.508 0.508! 0.000t r 
assign (resid  31 and name hn   ) (resid   30 and name ha   )  2.517 0.380 0.380! 0.000k e 
assign (resid   8 and name hn   ) (resid    7 and name hb1  )  3.533 0.749 0.749! 0.000s w 
 
assign (resid  21 and name hn   ) (resid   20 and name hb*  )  2.868 1.294 1.294! 0.000q l 
assign (resid  17 and name hn   ) (resid   16 and name hb*  )  3.600 1.578 1.578! 0.000s r 
assign (resid  17 and name hn   ) (resid   16 and name hg*  )  3.037 1.353 1.353! 0.000s r 
assign (resid   3 and name hn   ) (resid    2 and name hb*  )  3.306 1.456 1.456! 0.000f p 
assign (resid   3 and name hn   ) (resid    2 and name hb*  )  3.798 1.665 1.665! 1.000f p 
assign (resid  23 and name hd2  ) (resid    5 and name hb2  )  2.591 0.403 0.403! 0.000h c 
 
assign (resid  20 and name hn   ) (resid   19 and name hb*  )  2.893 1.302 1.302! 0.000l e 
assign (resid  25 and name hn   ) (resid   24 and name ha   )  2.722 0.445 0.845! 0.000r k 
assign (resid  20 and name hn   ) (resid   19 and name ha   )  3.376 0.684 0.684! 0.000l e 
assign (resid  27 and name hn   ) (resid   26 and name ha   )  2.972 0.530 0.530! 0.000h t 
assign (resid  27 and name hn   ) (resid   25 and name ha   )  3.271 0.642 0.642! 0.000h r 
assign (resid   3 and name hd*  ) (resid    2 and name ha   )  3.162 2.600 2.600! 0.000f p 
assign (resid   3 and name hd*  ) (resid   15 and name ha   )  2.828 2.480 2.480! 0.000f t 
assign (resid  14 and name hd*  ) (resid   13 and name ha   )  3.026 2.549 2.549! 0.000f r 
assign (resid   3 and name he*  ) (resid   17 and name ha   )  2.817 2.476 2.476! 0.000f s 
assign (resid   3 and name he*  ) (resid   17 and name hb*  )  2.833 3.282 3.282! 1.000f s 
assign (resid   3 and name he*  ) (resid   17 and name hb*  )  2.780 3.264 3.264! 1.000f s 
assign (resid   3 and name he*  ) (resid   16 and name ha   )  3.043 2.556 2.556! 0.000f r 
assign (resid   7 and name hz2  ) (resid   27 and name hb1  )  3.072 0.566 0.566! 0.000w h 
 
assign (resid  28 and name hn   ) (resid   27 and name hb*  )  3.324 1.463 1.463! 0.000t h 
assign (resid  28 and name hn   ) (resid   27 and name hb1  )  3.324 0.663 0.663! 0.000t h 
 
assign (resid  28 and name hn   ) (resid   27 and name hb*  )  2.936 1.317 1.317! 0.000t h 
assign (resid  28 and name hn   ) (resid   25 and name ha   )  3.107 0.579 0.579! 0.000t r 
assign (resid  16 and name hn   ) (resid   14 and name hb*  )  2.791 1.267 1.267! 0.000r f 
assign (resid  16 and name hn   ) (resid   15 and name hb*  )  2.942 1.319 1.319! 0.000r t 
assign (resid  16 and name hn   ) (resid   15 and name ha   )  3.332 0.666 0.666! 0.000r t 
assign (resid  27 and name he1  ) (resid    7 and name hb1  )  3.258 0.637 0.637! 0.000h w 
 
assign (resid  27 and name he1  ) (resid    7 and name hb2  )  3.528 0.747 0.747! 0.000h w 
 
assign (resid  27 and name he1  ) (resid   10 and name hb2  )  2.717 0.443 0.443! 0.000h c 
assign (resid  27 and name he1  ) (resid   10 and name hb1  )  3.072 0.566 0.566! 0.000h c 
 
assign (resid  12 and name hn   ) (resid    5 and name hb2  )  3.305 0.655 0.655! 0.000k c 
 
assign (resid  12 and name hn   ) (resid    5 and name hb1  )  3.165 0.601 0.601! 0.000k c 
 
assign (resid  29 and name hn   ) (resid   28 and name ha   )  2.746 0.452 0.452! 0.000g t 
assign (resid  13 and name hn   ) (resid   12 and name ha   )  2.331 0.326 0.326! 0.000r k 
assign (resid  30 and name hn   ) (resid   29 and name ha*  )  3.287 0.648 0.648! 0.000e g 
assign (resid  30 and name hn   ) (resid   29 and name ha*  )  3.170 0.603 0.603! 0.000e g 
assign (resid   8 and name hn   ) (resid    7 and name ha   )  2.406 0.347 0.347! 1.000s w 
assign (resid  21 and name hn   ) (resid   18 and name ha   )  3.111 0.581 0.581! 0.000q d 
assign (resid  10 and name hn   ) (resid    9 and name ha   )  3.034 0.552 0.552! 0.000c y 
assign (resid  21 and name hn   ) (resid   20 and name hd*  )  3.907 2.416 2.416! 0.000q l 
assign (resid  29 and name hn   ) (resid   28 and name hg*  )  3.972 2.447 2.447! 0.000g t 
assign (resid  21 and name hn   ) (resid   20 and name hd*  )  3.719 2.330 2.330! 0.000q l 
assign (resid  11 and name hn   ) (resid   10 and name hb2  )  2.880 0.498 0.498! 0.000g c 
 
assign (resid  11 and name hn   ) (resid   10 and name hb1  )  2.639 0.418 0.418! 0.000g c 
 
assign (resid   9 and name hn   ) (resid    8 and name hb*  )  3.110 1.380 1.380! 0.000y s 
assign (resid   9 and name hn   ) (resid    8 and name ha   )  2.418 0.351 0.351! 0.000y s 
assign (resid  10 and name hn   ) (resid    8 and name ha   )  3.563 0.762 0.762! 0.000c s 
assign (resid   3 and name hn   ) (resid    2 and name ha   )  2.588 0.402 0.402! 0.000f p 
assign (resid  17 and name hn   ) (resid   16 and name ha   )  2.762 0.458 0.458! 1.000  r 
assign (resid   5 and name hn   ) (resid   13 and name ha   )  3.690 0.817 0.817! 0.000c r 
assign (resid   5 and name hn   ) (resid    4 and name ha   )  2.839 0.484 0.484! 0.000c m 
assign (resid  14 and name hn   ) (resid   13 and name ha   )  2.901 0.505 0.505! 0.000f r 
assign (resid   4 and name hn   ) (resid   13 and name ha   )  3.924 0.924 0.924! 0.000m r 
assign (resid   7 and name hn   ) (resid    6 and name ha   )  2.955 0.524 0.524! 0.000w t 
assign (resid  18 and name hn   ) (resid   17 and name hb*  )  3.028 1.350 1.350! 0.000d s 
assign (resid  18 and name hn   ) (resid   17 and name hb*  )  3.347 1.472 1.472! 0.000d s 
assign (resid  24 and name hn   ) (resid   21 and name ha   )  3.328 0.665 0.665! 0.000k q 
assign (resid  24 and name hn   ) (resid   23 and name hb2  )  3.447 0.713 0.713! 0.000k h 
 
assign (resid  24 and name hn   ) (resid   23 and name hb1  )  2.860 0.491 0.491! 0.000k h 
 
assign (resid  18 and name hn   ) (resid   17 and name ha   )  3.482 0.727 0.727! 0.000d s 
assign (resid  14 and name hn   ) (resid   13 and name hb*  )  3.005 1.342 1.342! 0.000f r 
assign (resid   5 and name hn   ) (resid   20 and name hd*  )  3.158 2.098 2.098! 0.000c l 
assign (resid   5 and name hn   ) (resid    4 and name hg*  )  3.727 1.633 1.633! 0.000c m 
assign (resid   5 and name hn   ) (resid    4 and name hg*  )  3.805 1.669 1.669! 0.000c m 
assign (resid  15 and name hn   ) (resid   14 and name hb1  )  2.837 0.483 0.483! 1.000t f 
 
assign (resid  27 and name hd2  ) (resid    7 and name hb2  )  3.115 0.582 0.582! 0.000h w 
assign (resid  27 and name hd2  ) (resid   24 and name ha   )  2.450 0.360 0.360! 0.000h k 
assign (resid  24 and name hn   ) (resid   25 and name hn   )  2.611 0.409 0.409! 0.000k r 
assign (resid  24 and name hn   ) (resid   23 and name hn   )  2.851 0.488 0.488! 0.000k h 
assign (resid  26 and name hn   ) (resid   27 and name hn   )  2.663 0.425 0.425! 0.000t h 
assign (resid  26 and name hn   ) (resid   25 and name ha   )  2.820 0.477 0.477! 0.000t r 
assign (resid  29 and name hn   ) (resid   28 and name hn   )  2.780 0.464 0.464! 0.000g t 
assign (resid  21 and name hn   ) (resid   20 and name hn   )  2.756 0.456 0.456! 0.000q l 
assign (resid  21 and name hn   ) (resid   22 and name hn   )  2.993 0.537 0.537! 0.000q r 
assign (resid  15 and name hn   ) (resid   16 and name hn   )  2.774 0.462 0.462! 0.000t r 
assign (resid  17 and name hn   ) (resid   21 and name he*  )  3.143 1.793 1.793! 0.000s f 
assign (resid  11 and name hn   ) (resid   10 and name hn   )  2.690 0.434 0.434! 0.000g c 
assign (resid  11 and name hn   ) (resid   12 and name hn   )  2.989 0.536 0.536! 0.000g k 
assign (resid   8 and name hn   ) (resid    7 and name hd1  )  3.399 0.693 0.693! 0.000s w 
assign (resid  15 and name hn   ) (resid   14 and name hb2  )  3.282 0.646 0.646! 0.000t f 
 
assign (resid  24 and name hn   ) (resid   20 and name hd*  )  3.692 2.318 2.318! 0.000k l 
assign (resid  27 and name hd2  ) (resid   24 and name hb*  )  3.596 1.576 1.576! 0.000h k 
assign (resid  27 and name hd2  ) (resid   24 and name hb*  )  3.501 1.535 1.535! 0.000h k 
assign (resid  23 and name hd2  ) (resid   20 and name hd*  )  2.964 2.027 2.027! 0.000h l 
assign (resid  3 and name hd*   ) (resid   20 and name hd*  )  2.980 4.032 4.032! 0.000f l 
assign (resid 14 and name hd*   ) (resid   20 and name hd*  )  2.980 4.032 4.032! 0.000f l 
 
assign (resid  14 and name hd*  ) (resid   20 and name hg   )  2.740 2.450 2.450! 0.000f l 
assign (resid  14 and name he*  ) (resid   20 and name hd*  )  3.070 4.065 4.065! 0.000f l 
 
assign (resid  14 and name he*  ) (resid   20 and name hg   )  2.713 2.442 2.442! 0.000f l 
assign (resid  14 and name hz   ) (resid   23 and name hb*  )  2.939 1.318 1.318! 0.000f h 
assign (resid  14 and name hz   ) (resid   23 and name hb*  )  3.032 1.352 1.352! 0.000f h 
assign (resid  14 and name he*  ) (resid    5 and name hb1  )  3.221 2.622 2.622! 0.000f c 
 
assign (resid  14 and name he*  ) (resid    5 and name hb2  )  2.880 2.497 2.497! 0.000f c 
 
assign (resid  14 and name he*  ) (resid   20 and name ha   )  2.962 2.526 2.526! 0.000f l 
assign (resid   5 and name hn   ) (resid   14 and name he*  )  3.612 2.783 2.783! 0.000c f 
assign (resid  19 and name hn   ) (resid   16 and name hg*  )  2.939 1.318 1.318! 0.000e r 
assign (resid  14 and name hd*  ) (resid   20 and name ha   )  2.965 2.527 2.527! 0.000f l 
assign (resid  14 and name hd*  ) (resid   19 and name hb*  )  2.727 3.246 3.246! 1.000f e 
assign (resid  14 and name hd*  ) (resid   19 and name hb*  )  2.632 3.215 3.215! 1.000f e 
 
assign (resid  14 and name hz   ) (resid   12 and name hg*  )  3.078 1.368 1.368! 0.000f k 
assign (resid  14 and name hz   ) (resid   12 and name hd*  )  3.293 1.451 1.451! 0.000f k 
assign (resid  27 and name hn   ) (resid   24 and name ha   )  3.327 0.664 0.664! 0.000h k 
assign (resid  22 and name ha   ) (resid   25 and name hn   )  3.438 0.709 0.709! 0.000r r 
assign (resid  23 and name he1  ) (resid   14 and name hz   )  3.312 0.658 0.658! 0.000h f 
assign (resid  23 and name he1  ) (resid   14 and name he*  )  3.387 2.688 2.688! 0.000h f 
assign (resid  23 and name hd2  ) (resid   27 and name hd2  )  3.044 0.556 0.556! 0.000h h 
assign (resid   4 and name hn   ) (resid   20 and name hd*  )  3.692 2.318 2.318! 0.000m l 
assign (resid  22 and name hn   ) (resid   23 and name hn   )  2.822 0.478 0.478! 0.000r h 
assign (resid  19 and name ha   ) (resid   22 and name hn   )  3.368 0.681 0.681! 0.000e r 
assign (resid  23 and name ha   ) (resid   26 and name hn   )  3.368 0.681 0.681! 0.000h t 
assign (resid  20 and name hn   ) (resid   17 and name ha   )  2.971 0.530 0.530!
assign (resid  23 and name hb1  ) (resid   24 and name ha   )  3.352 0.674 0.674! 
assign (resid  14 and name hb1  ) (resid   19 and name hb*  )  2.893 1.302 1.302!
assign (resid  14 and name hb1  ) (resid   19 and name hg*  )  3.156 1.397 1.397! 
assign (resid   5 and name ha   ) (resid   20 and name hd*  )  2.622 1.912 1.912!
assign (resid  16 and name hb*  ) (resid   19 and name hn   )  2.662 1.225 1.225!
assign (resid  10 and name hb1  ) (resid    7 and name hb1  )  2.932 0.516 0.516! 
assign (resid  10 and name hb1  ) (resid    7 and name hb2  )  3.079 0.569 0.569! 
assign (resid   5  and name sg  )  (resid    1  and name zn  )   2.300 0.050 0.050! 0.00 c zn 
assign (resid   10 and name sg  )  (resid    1  and name zn  )   2.300 0.050 0.050! 0.00 c zn
assign (resid   23 and name ne2 )  (resid    1  and name zn  )   2.085 0.050 0.050! 0.00 h zn
assign (resid   27 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   10 and name sg )   3.701 0.283 0.283!
assign (resid   23 and name ne2 )  (resid   27 and name ne2)   3.354 0.256 0.256!
assign (resid   5  and name sg  )  (resid   23 and name ne2 )  3.530 0.269 0.269!
assign (resid   10 and name sg  )  (resid   27 and name ne2 )  3.530 0.269 0.269!
assign (resid   5  and name sg  )  (resid   27 and name ne2 )  3.530 0.269 0.269!
assign (resid   10 and name sg  )  (resid   23 and name ne2 )  3.530 0.269 0.269!

  Entry H atom name         Submitted Coord H atom name
    1   1H    ARG   1           HT2      ARG   1  15.386  -0.209  -0.679
    2   2H    ARG   1           HT1      ARG   1  15.811  -1.838  -0.902
    3   3H    ARG   1           HT3      ARG   1  16.120  -0.707  -2.127
    4    HA   ARG   1           HA       ARG   1  14.064  -0.819  -2.949
    5   1HB   ARG   1           HB2      ARG   1  14.277  -3.234  -1.156
    6   2HB   ARG   1           HB1      ARG   1  12.836  -2.964  -2.137
    7   1HG   ARG   1           HG2      ARG   1  13.954  -3.961  -3.827
    8   2HG   ARG   1           HG1      ARG   1  14.934  -2.497  -3.907
    9   1HD   ARG   1           HD2      ARG   1  16.269  -3.653  -1.942
   10   2HD   ARG   1           HD1      ARG   1  15.558  -5.125  -2.604
   11    HE   ARG   1           HE       ARG   1  17.824  -4.059  -3.690
   12   1HH1  ARG   1          HH11      ARG   1  15.071  -5.536  -4.824
   13   2HH1  ARG   1          HH12      ARG   1  15.242  -5.025  -6.470
   14   1HH2  ARG   1          HH21      ARG   1  17.839  -2.828  -5.796
   15   2HH2  ARG   1          HH22      ARG   1  16.810  -3.492  -7.020
   16    HA   PRO   2           HA       PRO   2  12.023   1.417   0.501
   17   1HB   PRO   2           HB2      PRO   2  10.799   3.046  -1.527
   18   2HB   PRO   2           HB1      PRO   2  12.057   3.511  -0.373
   19   1HG   PRO   2           HG2      PRO   2  12.345   3.071  -3.210
   20   2HG   PRO   2           HG1      PRO   2  13.597   3.538  -2.052
   21   1HD   PRO   2           HD2      PRO   2  13.249   0.981  -3.338
   22   2HD   PRO   2           HD1      PRO   2  14.504   1.454  -2.175
   23    H    PHE   3           HN       PHE   3   9.891   1.079   1.174
   24    HA   PHE   3           HA       PHE   3   8.075  -0.246  -0.803
   25   1HB   PHE   3           HB2      PHE   3   8.393  -0.759   2.169
   26   2HB   PHE   3           HB1      PHE   3   7.110  -1.452   1.177
   27    HD1  PHE   3           HD2      PHE   3   7.939  -2.636  -1.052
   28    HD2  PHE   3           HD1      PHE   3  10.375  -1.963   2.421
   29    HE1  PHE   3           HE2      PHE   3   9.473  -4.444  -1.778
   30    HE2  PHE   3           HE1      PHE   3  11.910  -3.771   1.696
   31    HZ   PHE   3           HZ       PHE   3  11.459  -5.012  -0.404
   32    H    MET   4           HN       MET   4   7.182   1.888  -1.281
   33    HA   MET   4           HA       MET   4   5.538   3.005   0.955
   34   1HB   MET   4           HB2      MET   4   7.389   4.327  -0.583
   35   2HB   MET   4           HB1      MET   4   5.894   4.664  -1.456
   36   1HG   MET   4           HG2      MET   4   4.863   5.355   0.741
   37   2HG   MET   4           HG1      MET   4   6.463   5.208   1.470
   38   1HE   MET   4           HE3      MET   4   8.321   6.161   0.976
   39   2HE   MET   4           HE2      MET   4   8.662   6.834  -0.616
   40   3HE   MET   4           HE1      MET   4   8.444   7.913   0.760
   41    H    CYS   5           HN       CYS   5   3.373   3.772   0.341
   42    HA   CYS   5           HA       CYS   5   2.128   1.969  -1.623
   43   1HB   CYS   5           HB2      CYS   5   0.986   2.312   0.507
   44   2HB   CYS   5           HB1      CYS   5   0.953   4.053   0.242
   45    H    THR   6           HN       THR   6   1.228   2.624  -3.576
   46    HA   THR   6           HA       THR   6   1.955   5.370  -4.460
   47    HB   THR   6           HB       THR   6   1.043   2.967  -6.072
   48    HG1  THR   6           HG1      THR   6   3.433   3.456  -6.707
   49   1HG2  THR   6          HG23      THR   6   1.001   5.663  -6.751
   50   2HG2  THR   6          HG22      THR   6   2.521   5.084  -7.432
   51   3HG2  THR   6          HG21      THR   6   1.001   4.311  -7.883
   52    H    TRP   7           HN       TRP   7   0.139   6.388  -3.319
   53    HA   TRP   7           HA       TRP   7  -2.301   6.372  -4.962
   54   1HB   TRP   7           HB2      TRP   7  -2.284   4.668  -2.822
   55   2HB   TRP   7           HB1      TRP   7  -2.915   6.138  -2.081
   56    HD1  TRP   7           HD1      TRP   7  -5.310   6.900  -2.704
   57    HE1  TRP   7           HE1      TRP   7  -7.187   5.884  -4.151
   58    HE3  TRP   7           HE3      TRP   7  -2.705   3.185  -5.050
   59    HZ2  TRP   7           HZ2      TRP   7  -7.537   3.774  -6.052
   60    HZ3  TRP   7           HZ3      TRP   7  -3.833   1.689  -6.671
   61    HH2  TRP   7           HH2      TRP   7  -6.243   1.978  -7.175
   62    H    SER   8           HN       SER   8  -3.703   8.224  -4.410
   63    HA   SER   8           HA       SER   8  -2.096  10.499  -3.463
   64   1HB   SER   8           HB2      SER   8  -4.150  11.812  -4.128
   65   2HB   SER   8           HB1      SER   8  -3.432  10.877  -5.436
   66    HG   SER   8           HG       SER   8  -5.472  10.245  -5.563
   67    H    TYR   9           HN       TYR   9  -2.512  11.678  -1.588
   68    HA   TYR   9           HA       TYR   9  -3.504  12.214   0.483
   69   1HB   TYR   9           HB2      TYR   9  -5.649  11.234  -1.026
   70   2HB   TYR   9           HB1      TYR   9  -5.687  10.291   0.465
   71    HD1  TYR   9           HD2      TYR   9  -4.803  12.016   2.548
   72    HD2  TYR   9           HD1      TYR   9  -7.155  13.014  -0.905
   73    HE1  TYR   9           HE2      TYR   9  -5.753  13.962   3.757
   74    HE2  TYR   9           HE1      TYR   9  -8.105  14.959   0.305
   75    HH   TYR   9           HH       TYR   9  -7.806  16.313   2.129
   76    H    CYS  10           HN       CYS  10  -2.096   9.429  -0.422
   77    HA   CYS  10           HA       CYS  10  -2.522   8.073   2.198
   78   1HB   CYS  10           HB2      CYS  10  -2.869   6.536   0.428
   79   2HB   CYS  10           HB1      CYS  10  -1.484   7.124  -0.477
   80    H    GLY  11           HN       GLY  11   0.378   7.619   0.281
   81   1HA   GLY  11           HA2      GLY  11   2.617   8.183   0.715
   82   2HA   GLY  11           HA1      GLY  11   2.022   9.509   1.715
   83    H    LYS  12           HN       LYS  12   1.963   5.922   1.870
   84    HA   LYS  12           HA       LYS  12   2.834   6.190   4.721
   85   1HB   LYS  12           HB2      LYS  12   0.435   5.208   3.984
   86   2HB   LYS  12           HB1      LYS  12   1.394   3.734   3.850
   87   1HG   LYS  12           HG2      LYS  12   2.130   3.918   6.142
   88   2HG   LYS  12           HG1      LYS  12   1.406   5.519   6.297
   89   1HD   LYS  12           HD2      LYS  12  -0.756   4.072   5.489
   90   2HD   LYS  12           HD1      LYS  12   0.127   2.851   6.406
   91   1HE   LYS  12           HE2      LYS  12   0.361   4.736   8.205
   92   2HE   LYS  12           HE1      LYS  12  -0.993   5.477   7.353
   93   1HZ   LYS  12           HZ3      LYS  12  -2.206   3.368   7.612
   94   2HZ   LYS  12           HZ2      LYS  12  -0.922   2.757   8.541
   95   3HZ   LYS  12           HZ1      LYS  12  -1.822   4.086   9.100
   96    H    ARG  13           HN       ARG  13   4.679   5.087   5.249
   97    HA   ARG  13           HA       ARG  13   5.910   3.424   3.110
   98   1HB   ARG  13           HB2      ARG  13   7.046   4.791   5.561
   99   2HB   ARG  13           HB1      ARG  13   7.981   3.674   4.566
  100   1HG   ARG  13           HG2      ARG  13   7.918   5.090   2.692
  101   2HG   ARG  13           HG1      ARG  13   6.533   5.994   3.306
  102   1HD   ARG  13           HD2      ARG  13   8.150   7.511   3.879
  103   2HD   ARG  13           HD1      ARG  13   8.300   6.472   5.296
  104    HE   ARG  13           HE       ARG  13  10.022   5.328   3.450
  105   1HH1  ARG  13          HH21      ARG  13  10.307   7.377   5.954
  106   2HH1  ARG  13          HH22      ARG  13  11.628   8.312   5.337
  107   1HH2  ARG  13          HH11      ARG  13  11.407   7.001   2.135
  108   2HH2  ARG  13          HH12      ARG  13  12.251   8.100   3.175
  109    H    PHE  14           HN       PHE  14   7.040   1.421   3.814
  110    HA   PHE  14           HA       PHE  14   6.039   0.245   6.346
  111   1HB   PHE  14           HB2      PHE  14   5.728  -1.160   3.677
  112   2HB   PHE  14           HB1      PHE  14   5.186  -1.743   5.251
  113    HD1  PHE  14           HD2      PHE  14   3.379  -0.488   6.483
  114    HD2  PHE  14           HD1      PHE  14   4.419   0.377   2.407
  115    HE1  PHE  14           HE2      PHE  14   1.229   0.713   6.190
  116    HE2  PHE  14           HE1      PHE  14   2.268   1.577   2.113
  117    HZ   PHE  14           HZ       PHE  14   0.673   1.745   4.004
  118    H    THR  15           HN       THR  15   7.151  -1.949   6.699
  119    HA   THR  15           HA       THR  15   9.966  -1.712   5.743
  120    HB   THR  15           HB       THR  15   9.004  -3.452   8.017
  121    HG1  THR  15           HG1      THR  15   9.871  -0.756   8.144
  122   1HG2  THR  15          HG22      THR  15  11.460  -3.136   6.760
  123   2HG2  THR  15          HG21      THR  15  11.595  -2.114   8.191
  124   3HG2  THR  15          HG23      THR  15  11.203  -3.825   8.363
  125    H    ARG  16           HN       ARG  16   7.551  -3.029   4.381
  126    HA   ARG  16           HA       ARG  16   8.930  -5.216   3.200
  127   1HB   ARG  16           HB2      ARG  16   8.541  -6.192   5.496
  128   2HB   ARG  16           HB1      ARG  16   6.809  -6.100   5.175
  129   1HG   ARG  16           HG2      ARG  16   7.034  -8.157   4.258
  130   2HG   ARG  16           HG1      ARG  16   7.786  -7.324   2.896
  131   1HD   ARG  16           HD2      ARG  16   9.951  -7.826   3.609
  132   2HD   ARG  16           HD1      ARG  16   9.453  -8.047   5.287
  133    HE   ARG  16           HE       ARG  16   8.141 -10.080   3.945
  134   1HH1  ARG  16          HH21      ARG  16   9.891 -10.715   1.946
  135   2HH1  ARG  16          HH22      ARG  16  11.251 -11.501   2.678
  136   1HH2  ARG  16          HH11      ARG  16  10.542 -10.339   5.867
  137   2HH2  ARG  16          HH12      ARG  16  11.619 -11.288   4.898
  138    H    SER  17           HN       SER  17   7.981  -5.218   1.203
  139    HA   SER  17           HA       SER  17   5.645  -3.908   0.461
  140   1HB   SER  17           HB2      SER  17   7.461  -5.276  -0.934
  141   2HB   SER  17           HB1      SER  17   6.215  -6.520  -0.880
  142    HG   SER  17           HG       SER  17   6.189  -4.868  -2.657
  143    H    ASP  18           HN       ASP  18   5.934  -6.966   2.115
  144    HA   ASP  18           HA       ASP  18   3.521  -8.239   1.550
  145   1HB   ASP  18           HB2      ASP  18   5.237  -9.102   3.137
  146   2HB   ASP  18           HB1      ASP  18   4.726  -7.890   4.313
  147    H    GLU  19           HN       GLU  19   4.028  -5.683   4.008
  148    HA   GLU  19           HA       GLU  19   1.264  -5.457   4.721
  149   1HB   GLU  19           HB2      GLU  19   3.487  -4.446   5.795
  150   2HB   GLU  19           HB1      GLU  19   3.040  -3.051   4.812
  151   1HG   GLU  19           HG2      GLU  19   1.574  -2.471   6.419
  152   2HG   GLU  19           HG1      GLU  19   0.648  -3.919   6.022
  153    H    LEU  20           HN       LEU  20   3.182  -4.058   2.127
  154    HA   LEU  20           HA       LEU  20   1.285  -2.039   1.347
  155   1HB   LEU  20           HB2      LEU  20   3.722  -3.276   0.209
  156   2HB   LEU  20           HB1      LEU  20   2.582  -2.640  -0.978
  157    HG   LEU  20           HG       LEU  20   3.790  -1.123   1.353
  158   1HD1  LEU  20          HD13      LEU  20   4.127  -0.981  -1.654
  159   2HD1  LEU  20          HD12      LEU  20   4.666   0.297  -0.565
  160   3HD1  LEU  20          HD11      LEU  20   5.370  -1.316  -0.448
  161   1HD2  LEU  20          HD21      LEU  20   1.499  -0.568  -0.488
  162   2HD2  LEU  20          HD23      LEU  20   1.717  -0.107   1.200
  163   3HD2  LEU  20          HD22      LEU  20   2.561   0.777  -0.072
  164    H    GLN  21           HN       GLN  21   1.420  -5.475   0.894
  165    HA   GLN  21           HA       GLN  21  -0.245  -5.612  -1.461
  166   1HB   GLN  21           HB2      GLN  21   0.609  -7.552   0.665
  167   2HB   GLN  21           HB1      GLN  21  -0.688  -8.000  -0.442
  168   1HG   GLN  21           HG2      GLN  21   0.777  -8.375  -2.111
  169   2HG   GLN  21           HG1      GLN  21   1.512  -6.787  -1.888
  170   1HE2  GLN  21          HE22      GLN  21   4.349  -8.098  -0.278
  171   2HE2  GLN  21          HE21      GLN  21   3.612  -6.780  -1.054
  172    H    ARG  22           HN       ARG  22  -1.022  -6.291   1.977
  173    HA   ARG  22           HA       ARG  22  -3.869  -6.325   1.481
  174   1HB   ARG  22           HB2      ARG  22  -2.084  -6.719   3.733
  175   2HB   ARG  22           HB1      ARG  22  -3.464  -5.725   4.198
  176   1HG   ARG  22           HG2      ARG  22  -4.897  -7.491   2.958
  177   2HG   ARG  22           HG1      ARG  22  -3.464  -8.515   3.055
  178   1HD   ARG  22           HD2      ARG  22  -3.420  -8.189   5.516
  179   2HD   ARG  22           HD1      ARG  22  -4.891  -7.225   5.399
  180    HE   ARG  22           HE       ARG  22  -5.017  -9.933   5.716
  181   1HH1  ARG  22          HH11      ARG  22  -4.689 -10.117   2.712
  182   2HH1  ARG  22          HH12      ARG  22  -6.338 -10.132   2.184
  183   1HH2  ARG  22          HH21      ARG  22  -7.591  -8.966   5.200
  184   2HH2  ARG  22          HH22      ARG  22  -7.981  -9.481   3.593
  185    H    HIS  23           HN       HIS  23  -1.612  -3.796   1.734
  186    HA   HIS  23           HA       HIS  23  -3.465  -1.823   2.869
  187   1HB   HIS  23           HB2      HIS  23  -1.019  -1.608   3.206
  188   2HB   HIS  23           HB1      HIS  23  -0.809  -1.443   1.459
  189    HD1  HIS  23           HD1      HIS  23  -2.722   0.290   4.274
  190    HD2  HIS  23           HD2      HIS  23  -1.012   1.157   0.573
  191    HE1  HIS  23           HE1      HIS  23  -2.991   2.784   3.926
  192    H    LYS  24           HN       LYS  24  -2.120  -2.593  -0.334
  193    HA   LYS  24           HA       LYS  24  -3.402  -0.431  -1.697
  194   1HB   LYS  24           HB2      LYS  24  -1.560  -1.567  -2.755
  195   2HB   LYS  24           HB1      LYS  24  -2.404  -3.114  -2.679
  196   1HG   LYS  24           HG2      LYS  24  -3.913  -2.526  -4.367
  197   2HG   LYS  24           HG1      LYS  24  -3.664  -0.796  -4.120
  198   1HD   LYS  24           HD2      LYS  24  -1.294  -1.112  -4.943
  199   2HD   LYS  24           HD1      LYS  24  -1.738  -2.760  -5.387
  200   1HE   LYS  24           HE2      LYS  24  -2.911  -2.079  -7.207
  201   2HE   LYS  24           HE1      LYS  24  -3.632  -0.720  -6.343
  202   1HZ   LYS  24           HZ2      LYS  24  -0.787  -0.708  -7.142
  203   2HZ   LYS  24           HZ1      LYS  24  -2.007  -0.202  -8.211
  204   3HZ   LYS  24           HZ3      LYS  24  -1.781   0.610  -6.739
  205    H    ARG  25           HN       ARG  25  -4.636  -3.372  -0.419
  206    HA   ARG  25           HA       ARG  25  -6.908  -3.536  -2.262
  207   1HB   ARG  25           HB2      ARG  25  -6.458  -4.917   0.402
  208   2HB   ARG  25           HB1      ARG  25  -7.688  -5.341  -0.790
  209   1HG   ARG  25           HG2      ARG  25  -5.878  -5.794  -2.445
  210   2HG   ARG  25           HG1      ARG  25  -4.684  -5.472  -1.186
  211   1HD   ARG  25           HD2      ARG  25  -4.866  -7.773  -0.985
  212   2HD   ARG  25           HD1      ARG  25  -6.113  -7.265   0.154
  213    HE   ARG  25           HE       ARG  25  -7.466  -7.474  -2.254
  214   1HH1  ARG  25          HH11      ARG  25  -5.781  -9.551  -3.278
  215   2HH1  ARG  25          HH12      ARG  25  -6.360 -10.999  -2.524
  216   1HH2  ARG  25          HH21      ARG  25  -8.070  -9.323  -0.015
  217   2HH2  ARG  25          HH22      ARG  25  -7.657 -10.870  -0.676
  218    H    THR  26           HN       THR  26  -6.118  -1.783   0.557
  219    HA   THR  26           HA       THR  26  -8.956  -1.319   1.271
  220    HB   THR  26           HB       THR  26  -6.473  -0.119   2.530
  221    HG1  THR  26           HG1      THR  26  -6.757  -2.521   2.509
  222   1HG2  THR  26          HG22      THR  26  -9.312   0.217   2.908
  223   2HG2  THR  26          HG21      THR  26  -8.592  -0.474   4.362
  224   3HG2  THR  26          HG23      THR  26  -7.983   1.049   3.715
  225    H    HIS  27           HN       HIS  27  -6.877  -0.152  -0.996
  226    HA   HIS  27           HA       HIS  27  -7.632   2.694  -0.693
  227   1HB   HIS  27           HB2      HIS  27  -5.565   1.182  -2.147
  228   2HB   HIS  27           HB1      HIS  27  -6.280   2.496  -3.082
  229    HD1  HIS  27           HD1      HIS  27  -6.689   4.699  -1.159
  230    HD2  HIS  27           HD2      HIS  27  -3.338   2.230  -0.906
  231    HE1  HIS  27           HE1      HIS  27  -4.946   5.994   0.139
  232    H    THR  28           HN       THR  28  -8.280  -0.100  -2.759
  233    HA   THR  28           HA       THR  28 -10.429   1.517  -4.068
  234    HB   THR  28           HB       THR  28  -9.064  -0.748  -5.499
  235    HG1  THR  28           HG1      THR  28  -7.576   0.716  -6.297
  236   1HG2  THR  28          HG21      THR  28 -11.187   0.936  -6.080
  237   2HG2  THR  28          HG23      THR  28  -9.839   1.672  -6.947
  238   3HG2  THR  28          HG22      THR  28 -10.274  -0.009  -7.256
  239    H    GLY  29           HN       GLY  29 -11.383   0.346  -1.980
  240   1HA   GLY  29           HA2      GLY  29 -12.066  -2.477  -2.477
  241   2HA   GLY  29           HA1      GLY  29 -12.542  -1.530  -1.066
  242    H    GLU  30           HN       GLU  30 -14.753  -1.520  -1.038
  243    HA   GLU  30           HA       GLU  30 -16.966  -1.435  -1.854
  244   1HB   GLU  30           HB2      GLU  30 -15.606   0.810  -3.373
  245   2HB   GLU  30           HB1      GLU  30 -17.354   0.593  -3.287
  246   1HG   GLU  30           HG2      GLU  30 -17.287   1.824  -1.395
  247   2HG   GLU  30           HG1      GLU  30 -16.537   0.422  -0.631
  248    H    LYS  31           HN       LYS  31 -16.772  -3.533  -2.972
  249    HA   LYS  31           HA       LYS  31 -16.771  -3.184  -5.944
  250   1HB   LYS  31           HB2      LYS  31 -15.809  -5.449  -6.132
  251   2HB   LYS  31           HB1      LYS  31 -14.739  -4.387  -5.215
  252   1HG   LYS  31           HG2      LYS  31 -16.219  -5.347  -3.183
  253   2HG   LYS  31           HG1      LYS  31 -16.349  -6.715  -4.290
  254   1HD   LYS  31           HD2      LYS  31 -13.702  -5.428  -3.585
  255   2HD   LYS  31           HD1      LYS  31 -14.370  -6.792  -2.688
  256   1HE   LYS  31           HE2      LYS  31 -14.353  -8.190  -4.650
  257   2HE   LYS  31           HE1      LYS  31 -13.945  -6.822  -5.686
  258   1HZ   LYS  31           HZ1      LYS  31 -11.939  -6.676  -4.007
  259   2HZ   LYS  31           HZ3      LYS  31 -12.251  -8.336  -3.849
  260   3HZ   LYS  31           HZ2      LYS  31 -11.887  -7.682  -5.375
   
  No H/Q in entry =         260