*HEADER   GROWTH FACTOR                           01-OCT-91   1EGF    
*COMPND   EPIDERMAL GROWTH FACTOR (EGF) (NMR, 16 STRUCTURES)          
*SOURCE   MOUSE (MUS MUSCULUS)                                        
*AUTHOR   G.T.MONTELIONE,K.WUTHRICH,H.A.SCHERAGA                      
*REVDAT  1   31-JAN-94 1EGF    0                                      

REMARK   2  THE FOLLOWING THREE TABLES LIST ARE THE DISMAN INPUT FILES
REMARK   2  USED TO GENERATE THE SOLUTION STRUCTURES OF MURINE EGF 
REMARK   2  DESCRIBED IN THE JOURNAL ENTRY.

Table I.  Upper-bound Constraint List
	    Murine Epidermal Growth Factor
             pH: 3.1, Temp: 28 deg
 1 ASN
        QB       1 ASN  HDE     3.6          #i        65 MS H2O
        HA       2 SER  HN      2.5          #         65 MS H2O
        QB       2 SER  HN      3.7          #m,db     65 MS H2O
        QB       3 TYR  CG1     9.2          #m+r      250 MS D2O
        QB       3 TYR  CZ4     9.2          #m+r      250 MS D2O
 2 SER 
        HN       2 SER  HA      2.7          #         65 MS H2O
        HA       3 TYR  HN      2.5          #         65 MS H2O
        HA       3 TYR  CG1     8.2          #r,dd     100 MS D2O
        HA       3 TYR  CZ4     8.2          #r        100 MS D2O
        QB       3 TYR  HN      4.0          #m        65 MS H2O
        HA      21 MET  QE      7.0          #m        250 MS D2O
        HB1     21 MET  QE      7.0          #BOTH,m   100 MS D2O
        HB2     21 MET  QE      7.0          #BOTH,m   100 MS D2O
        HA      23 ILE  HA      2.5          #         100 MS D2O
        HA      23 ILE  QG2     7.0          #m        250 MS D2O
        HA      23 ILE  QD      7.0          #m        250 MS D2O
 3 TYR
        HN       3 TYR  HB1     3.0          #BOTH     65 MS H2O
        HN       3 TYR  HB2     3.0          #BOTH     65 MS H2O
        HA       4 PRO  QB      7.0          #m        250 MS D2O
        HA       4 PRO  HG1     6.0          #BOTH     100 MS D2O
        HA       4 PRO  HG2     6.0          #BOTH     100 MS D2O
        HA       4 PRO  HD1     2.5          #BOTH     100 MS D2O
        HA       4 PRO  HD2     2.5          #BOTH     100 MS D2O
        QB       4 PRO  HD1     4.0          #BOTH,m   100 MS D2O
        QB       4 PRO  HD2     4.0          #BOTH,m   100 MS D2O
        CG1      4 PRO  HG1     8.2          #BOTH,r   250 MS D2O
        CG1      4 PRO  HG2     8.2          #BOTH,r   250 MS D2O  
        CG1      4 PRO  HD1     8.2          #BOTH,r   250 MS D2O
        CG1      4 PRO  HD2     8.2          #BOTH,r   250 MS D2O
        CZ4      4 PRO  QG      9.2          #BOTH,r+m 250 MS D2O 
        CZ4      4 PRO  HD1     8.2          #BOTH,r+m 250 MS D2O  
        CZ4      4 PRO  HD2     8.2          #BOTH,r+m 250 MS D2O
        HN      21 MET  QE      7.0          #m        65 MS H2O
        HA      21 MET  QE      7.0          #m        100 MS D2O
        CG1     21 MET  HA      8.2          #r        250 MS D2O
        CG1     21 MET  QG      9.2          #r+m      250 MS D2O 
        CG1     21 MET  QE      9.2          #r+m      100 MS D2O
        CZ4     21 MET  HA      8.2          #r        250 MS D2O
        CZ4     21 MET  QE      9.2          #r+m      250 MS D2O    
        HB1     22 HIS  HE2     6.0          #BOTH     250 MS D2O    
        HB2     22 HIS  HE2     6.0          #BOTH     250 MS D2O 
        CG1     22 HIS  HD4     8.2          #r        250 MS D2O  
        CG1     22 HIS  HE2     8.2          #r        250 MS D2O  
        CZ4     22 HIS  HE2     8.2          #r        250 MS D2O 
 4 PRO
        HA       5 GLY  HN      2.7          #         65 MS H2O
        HB1      5 GLY  HN      4.0          #BOTH     65 MS H2O
        HB2      5 GLY  HN      4.0          #BOTH     65 MS H2O
        QG       5 GLY  HN      7.0          #m        65 MS H2O LP 
        HA      19 VAL  QQG     8.4          #q        250 MS D2O   
        HA      21 MET  HA      2.5          #         100 MS D2O
        HA      21 MET  QG      7.0          #m        100 MS D2O
        HA      21 MET  QE      7.0          #m        100 MS D2O
 5 GLY                                                           
        HN       6 CYS  HN      4.0          #         65 MS H2O
        HA1      6 CYS  HN      2.7          #BOTH     65 MS H2O
        HA2      6 CYS  HN      2.7          #BOTH     65 MS H2O
        HN      21 MET  HA      3.0          #         65 MS H2O
        CA      21 MET  HA      7.0          #m        250 MS D2O
        CA      22 HIS  HE2     7.0          #m        250 MS D2O    
 6 CYS 
        HN       6 CYS  HA      2.5          #         65 MS H2O
        HN       6 CYS  QB      3.3          #i        65 MS H2O
        HN       7 PRO  HB1     6.0          #BOTH     65 MS H2O LP  
        HN       7 PRO  HB2     6.0          #BOTH     65 MS H2O LP    
        HA       7 PRO  HB1     6.0          #BOTH     250 MS D2O   
        HA       7 PRO  HB2     6.0          #BOTH     250 MS D2O    
        HA       7 PRO  HG1     6.0          #BOTH     100 MS D2O
        HA       7 PRO  HG2     6.0          #BOTH     100 MS D2O
        HA       7 PRO  HD1     2.5          #BOTH     100 MS D2O
        HA       7 PRO  HD2     2.5          #BOTH     100 MS D2O
        HB1      7 PRO  HA      6.0          #BOTH     250 MS D2O
        HB2      7 PRO  HA      6.0          #BOTH     250 MS D2O
        HA      10 TYR  QB      7.0          #m        250 MS D2O 
        HA      10 TYR  CG1     8.2          #r        250 MS D2O  
        HA      10 TYR  CZ4     8.2          #r        250 MS D2O     
        HB1     10 TYR  CG1     8.2          #BOTH r   250 MS D2O  
        HB2     10 TYR  CG1     8.2          #BOTH r   250 MS D2O    
        HB1     10 TYR  CZ4     8.2          #BOTH r   250 MS D2O  
        HB2     10 TYR  CZ4     8.2          #BOTH r   250 MS D2O 
        HN      20 CYS  QB      7.0          #m        65 MS H2O LP  
        SG      20 CYS  SG      2.1          #         SS-CONSTR     
        SG      20 CYS  CB      3.1          #         SS-CONSTR     
        CB      20 CYS  SG      3.1          #         SS-CONSTR     
        HA      29 TYR  CG1     8.2          #r        100 MS D2O
        HA      29 TYR  CZ4     8.2          #r        100 MS D2O
        HB1     29 TYR  CZ4     8.2          #r BOTH   250 MS D2O  
        HB2     29 TYR  CZ4     8.2          #r BOTH   250 MS D2O    
 7 PRO    
        HA       8 SER  HN      2.5          #         65 MS H2O
        HB1      8 SER  HN      3.0          #BOTH     65 MS H2O
        HB2      8 SER  HN      3.0          #BOTH     65 MS H2O
        QG       8 SER  HN      7.0          #m        65 MS H2O LP 
        HA       9 SER  HN      4.0          #         65 MS H2O
        HB1      9 SER  HN      4.0          #BOTH     65 MS H2O
        HB2      9 SER  HN      4.0          #BOTH     65 MS H2O
        QG       9 SER  HN      7.0          #m        65 MS H2O LP
        HA      10 TYR  CG1     8.2          #r        250 MS D2O  
        HA      10 TYR  CZ4     8.2          #r        250 MS D2O 
        HB1     10 TYR  HN      6.0          #BOTH     65 MS H2O  
        HB2     10 TYR  HN      6.0          #BOTH     65 MS H2O   
        QG      10 TYR  HN      7.0          #m        65 MS H2O     
        HB1     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HB2     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HB1     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O
        HB2     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O   
        HG1     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HG2     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HG1     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O
        HG2     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O
        HD1     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HD2     10 TYR  CG1     8.2          #BOTH,r   65 MS H2O
        HD1     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O
        HD2     10 TYR  CZ4     8.2          #BOTH,r   250 MS D2O 
        QD      22 HIS  HE2     7.0          #m        65 MS H2O
        HG1     29 TYR  CG1     8.2          #r BOTH   250 MS D2O
        HG2     29 TYR  CG1     8.2          #r BOTH   250 MS D2O   
        QD      29 TYR  CG1     9.2          #r+m      250 MS D2O
        HB1     29 TYR  CZ4     8.2          #BOTH r   250 MS D2O
        HB2     29 TYR  CZ4     8.2          #BOTH r   250 MS D2O
        HG1     29 TYR  CZ4     8.2          #BOTH r   250 MS D2O
        HG2     29 TYR  CZ4     8.2          #BOTH r   250 MS D2O  
        HD1     29 TYR  CZ4     8.2          #BOTH,r   250 MS D2O
        HD2     29 TYR  CZ4     8.2          #BOTH,r   250 MS D2O 
 8 SER 
        HN       8 SER  QB      3.3          #i,db     65 MS H2O
        HN       9 SER  HN      2.7          #         65 MS H2O
        QB       9 SER  HN      4.7          #m,db     65 MS H2O
        HA      11 ASP  HA      6.0          #HELIX?   250 MS D2O 
 9 SER
        HN       9 SER  HA      2.5          #         65 MS H2O
        HN       9 SER  QB      3.3          #i,db#    65 MS H2O
        HN      10 TYR  HN      3.0          #         65 MS H2O
        HA      10 TYR  CG1     8.2          #r        250 MS D2O 
        QB      10 TYR  CG1     9.2          #m,r      250 MS D2O    
        QB      10 TYR  CZ4     9.2          #m,r      250 MS D2O
10 TYR 
        HN      10 TYR  HB1     3.0          #BOTH     65 MS H2O
        HN      10 TYR  HB2     3.0          #BOTH     65 MS H2O
        HN      11 ASP  HN      3.0          #         65 MS H2O
        HA      11 ASP  HN      6.0          #         65 MS H2O LP
        HB1     11 ASP  HN      6.0          #BOTH     65 MS H2O LP 
        HB2     11 ASP  HN      6.0          #BOTH     65 MS H2O LP 
        HA      13 TYR  CG1     8.2          #r        250 MS D2O  
        HA      13 TYR  CZ4     8.2          #r        250 MS D2O
        QB      13 TYR  CG1     9.2          #r+m      250 MS D2O 
        QB      13 TYR  CZ4     9.2          #r+m      250 MS D2O  
        CG1     13 TYR  HA      8.2          #r        250 MS D2O 
        CG1     13 TYR  QB      9.2          #r+m,db   65 MS H2O
        CG1     13 TYR  CG1    10.4          #r+r      65 MS H2O
        CG1     13 TYR  CZ4    10.4          #r+r      65 MS H2O
        CZ4     13 TYR  HA      8.2          #r        250 MS D2O
        CZ4     13 TYR  QB      9.2          #r+m      250 MS D2O
        CZ4     13 TYR  CG1    10.4          #r+r      100 MS D2O
        CZ4     13 TYR  CZ4    10.4          #r+r      100 MS D2O
        CZ4     22 HIS  HA      8.2          #r        250 MS D2O
        CZ4     22 HIS  HD4     8.2          #r        100 MS D2O
        CG1     29 TYR  HA      8.2          #r        250 MS D2O
        CG1     29 TYR  HB1     8.2          #r BOTH   250 MS D2O
        CG1     29 TYR  HB2     8.2          #r BOTH   250 MS D2O 
        CG1     29 TYR  CG1    10.4          #r+r      250 MS D2O 
        CG1     29 TYR  CZ4    10.4          #r+r      250 MS D2O
        CZ4     29 TYR  HA      8.2          #r        250 MS D2O
        CZ4     29 TYR  HB1     8.2          #r BOTH   250 MS D2O
        CZ4     29 TYR  HB2     8.2          #r BOTH   250 MS D2O
        CZ4     29 TYR  CG1    10.4          #r+r      100 MS D2O
        CZ4     29 TYR  CZ4    10.4          #r+r      100 MS D2O
11 ASP
        HN      11 ASP  HA      2.5          #         65 MS H2O
        HN      11 ASP  QB      3.1          #i,db     65 MS H2O
        HN      12 GLY  HN      3.0          #         65 MS H2O
        HA      12 GLY  HN      2.5          #         65 MS H2O
        HA      13 TYR  HN      4.0          #         65 MS H2O
12 GLY                                                          
        HN      13 TYR  HN      2.7          #         65 MS H2O
        CA      13 TYR  HN      7.0          #m,da     65 MS H2O LP
        CA      13 TYR  CG1     9.2          #m+r,da   250 MS D2O  
13 TYR
        HN      13 TYR  QB      3.3          #i,db     65 MS H2O
        HA      13 TYR  CZ4     4.6          #i,de     100 MS H2O
        QB      13 TYR  CZ4     6.0          #m+m,db,de 100 MS H2O
        HN      14 CYS  HN      2.7          #         65 MS H2O
        QB      14 CYS  HN      4.5          #m        65 MS H2O
        CG1     14 CYS  HA      8.2          #r        250 MS D2O
        CZ4     14 CYS  HA      8.2          #r        250 MS D2O
        CG1     15 LEU  QB      9.2          #r+m      250 MS D2O 
        CG1     15 LEU  HG      8.2          #r        250 MS D2O
        CG1     15 LEU  QQD    10.6          #r+q      250 MS D2O
        CZ4     15 LEU  QQD    10.6          #r+q      250 MS D2O  
        CG1     20 CYS  QB      9.2          #r+m      250 MS D2O
        CG1     28 SER  HA      8.2          #r        250 MS D2O
        CG1     30 THR  HA      8.2          #r        250 MS D2O
        CG1     30 THR  QG      9.2          #r+m      250 MS D2O
        CZ4     30 THR  HA      8.2          #r        250 MS D2O
        CZ4     30 THR  QG      9.2          #r+m      250 MS D2O
        CG1     31 CYS  HA      8.2          #r        250 MS D2O 
        CZ4     31 CYS  HA      8.2          #r        250 MS D2O 
        HA      41 ARG  CZ      8.4          #q        65 MS H2O LP
        CG1     41 ARG  HA      8.2          #r        250 MS D2O  
        CZ4     41 ARG  HA      8.2          #r        250 MS D2O
        CG1     41 ARG  HB1     8.2          #r BOTH   250 MS D2O
        CG1     41 ARG  HB2     8.2          #r BOTH   250 MS D2O 
        CG1     41 ARG  HG1     8.2          #r BOTH   250 MS D2O
        CG1     41 ARG  HG2     8.2          #r BOTH   250 MS D2O
        CG1     41 ARG  QD      9.2          #r+m      250 MS D2O
        CZ4     41 ARG  HB1     8.2          #r BOTH   250 MS D2O  
        CZ4     41 ARG  HB2     8.2          #r BOTH   250 MS D2O
        CZ4     41 ARG  HG1     8.2          #r BOTH   250 MS D2O  
        CZ4     41 ARG  HG2     8.2          #r BOTH   250 MS D2O   
        CZ4     41 ARG  QD      9.2          #r+m      250 MS D2O   
        HA      41 ARG  HE      6.0          #         65 MS H2O LP
14 CYS   
        HA      15 LEU  HN      2.5          #         65 MS H2O
        HB1     15 LEU  HN      6.0          #BOTH     65 MS H2O LP
        HB2     15 LEU  HN      6.0          #BOTH     65 MS H2O LP
        QB      18 GLY  HN      4.7          #m        65 MS H2O
        HB1     18 GLY  HN      6.0          #BOTH     65 MS H2O LP
        HB2     18 GLY  HN      6.0          #BOTH     65 MS H2O LP   
        HB1     18 GLY  CA      4.0          #BOTH,m   100 MS D2O
        HB2     18 GLY  CA      4.0          #BOTH,m   100 MS D2O
        QB      19 VAL  HN      7.0          #m        65 MS H2O LP
        HB1     19 VAL  HA      4.0          #BOTH     100 MS D2O
        HB2     19 VAL  HA      4.0          #BOTH     100 MS D2O
        QB      31 CYS  HA      7.0          #m        250 MS D2O
        SG      31 CYS  SG      2.1          #         SS-CONSTR 
        SG      31 CYS  CB      3.1          #         SS-CONSTR
        CB      31 CYS  SG      3.1          #         SS-CONSTR
        QB      33 CYS  HA      7.0          #m        250 MS D2O
        HA      41 ARG  HA      6.0          #         250 MS D2O
        HA      41 ARG  HE      6.0          #         65 MS H2O LP
15 LEU   
        HA      16 ASN  HN      2.5          #         65 MS H2O
        HB1     16 ASN  HN      3.0          #BOTH     65 MS H2O
        HB2     16 ASN  HN      3.0          #BOTH     65 MS H2O
        QB      16 ASN  HDE     7.0          #m        65 MS H2O
        HB1     16 ASN  HDZ     6.0          #BOTH     65 MS H2O LP
        HB2     16 ASN  HDZ     6.0          #BOTH     65 MS H2O LP
        HG      16 ASN  HDZ     6.0          #         65 MS H2O LP
        QQD     16 ASN  HN      8.4          #q        65 MS H2O LP
        QQD     16 ASN  HDE     8.4          #q        65 MS H2O
        QQD     16 ASN  HDZ     8.4          #q        65 MS H2O LP
        HN      17 GLY  CA      7.0          #m        65 MS H2O LP
        HA      17 GLY  HN      4.0          #         65 MS H2O
        QQD     17 GLY  HN      8.4          #q        65 MS H2O LP
        QQD     37 TYR  CG1    10.6          #q+r      250 MS D2O 
        QQD     37 TYR  CZ4    10.6          #q+r      250 MS D2O 
        HG      41 ARG  HE      6.0          #         65 MS H2O LP
        HG      41 ARG  CZ      8.4          #q        65 MS H2O LP
        QQD     41 ARG  HA      8.4          #q        250 MS D2O
        QQD     41 ARG  QB      9.4          #qm       250 MS D2O
        QQD     41 ARG  QG      9.4          #qm       250 MS D2O
        QQD     41 ARG  HD1     8.4          #q        250 MS D2O
        QQD     41 ARG  HD2     8.4          #q        250 MS D2O
        QQD     41 ARG  HE      8.4          #q        65 MS H2O LP
        QQD     41 ARG  CZ     10.8          #q+q      65 MS H2O LP 
        QQD     42 CYS  QB      9.4          #qm       250 MS D2O 
        HN      43 GLN  HA      6.0          #         65 MS H2O LP 
        QB      43 GLN  HN      7.0          #m        65 MS H2O LP  
        QQD     43 GLN  HN      8.4          #q        65 MS H2O LP
        QQD     43 GLN  HB1     8.4          #q BOTH   250 MS D2O  
        QQD     43 GLN  HB2     8.4          #q BOTH   250 MS D2O
        QQD     43 GLN  HG1     8.4          #q BOTH   250 MS D2O 
        QQD     43 GLN  HG2     8.4          #q BOTH   250 MS D2O   
16 ASN   
        HN      16 ASN  HA      2.5          #         65 MS H2O
        HB1     16 ASN  HDE     3.0          #BOTH     65 MS H2O
        HB2     16 ASN  HDE     3.0          #BOTH     65 MS H2O
        HN      17 GLY  HN      3.0          #         65 MS H2O
        HB1     17 GLY  HN      6.0          #BOTH     65 MS H2O LP
        HB2     17 GLY  HN      6.0          #BOTH     65 MS H2O LP
        HB1     37 TYR  CG1     8.2          #BOTH r   250 MS D2O
        HB2     37 TYR  CG1     8.2          #BOTH r   250 MS D2O  
        HB1     37 TYR  CZ4     8.2          #BOTH r   250 MS D2O
        HB2     37 TYR  CZ4     8.2          #BOTH r   250 MS D2O 
        HDZ     37 TYR  CG1     8.2          #r dd     65 MS H2O
        HDZ     37 TYR  CZ4     8.2          #r dg     65 MS H2O
        HDE     37 TYR  CZ4     8.2          #r dg     65 MS H2O
        HB1     42 CYS  QB      7.0          #BOTH m   250 MS D2O 
        HB2     42 CYS  QB      7.0          #BOTH m   250 MS D2O
        HDE     43 GLN  HA      6.0          #         65 MS H2O LP 
        HDZ     43 GLN  HA      6.0          #         65 MS H2O LP
17 GLY   
        HN      18 GLY  HN      2.7          #         65 MS H2O
        HA1     18 GLY  HN      3.0          #BOTH     65 MS H2O
        HA2     18 GLY  HN      3.0          #BOTH     65 MS H2O
        HN      34 VAL  QG1     7.0          #BOTH m   65 MS H2O LP
        HN      34 VAL  QG2     7.0          #BOTH m   65 MS H2O LP  
18 GLY   
        HN      18 GLY  HA1     2.7          #BOTH     65 MS H2O
        HN      18 GLY  HA2     2.7          #BOTH     65 MS H2O
        CA      19 VAL  HN      3.5          #g        65 MS H2O
        HA1     33 CYS  HA      3.0          #BOTH     100 MS D2O
        HA2     33 CYS  HA      3.0          #BOTH     100 MS D2O
        HN      34 VAL  QQG     8.4          #q        65 MS H2O LP
        CA      34 VAL  HN      7.0          #m        65 MS H2O LP  
19 VAL      
        HN      19 VAL  HB      2.7          #         65 MS H2O
        HA      20 CYS  HN      2.5          #         65 MS H2O
        HB      20 CYS  HN      4.0          #         65 MS H2O
        QQG     20 CYS  HN      8.4          #dMe,q    65 MS H2O
        QQG     21 MET  HN      8.4          #q        65 MS H2O LP
        QQG     21 MET  HA      8.4          #q        250 MS D2O
        QQG     31 CYS  HA      8.4          #q        250 MS D2O  
        HN      32 ASN  HN      3.8          #         65 MS H2O
        HN      32 ASN  HB1     6.0          #BOTH     65 MS H2O LP 
        HN      32 ASN  HB2     6.0          #BOTH     65 MS H2O LP
        HA      32 ASN  HN      6.0          #         65 MS H2O LP 
        HB      32 ASN  HN      6.0          #         65 MS H2O LP
        QQG     32 ASN  HN      8.4          #q        65 MS H2O LP  
        O       32 ASN  HN      2.0          #         H-BOND 
        O       32 ASN  N       3.0          #         H-BOND   
        HN      32 ASN  O       2.0          #         H-BOND
        N       32 ASN  O       3.0          #         H-BOND
20 CYS  
        HN      20 CYS  HB1     2.7          #BOTH     65 MS H2O
        HN      20 CYS  HB2     2.7          #BOTH     65 MS H2O
        HB1     21 MET  HN      6.0          #BOTH     65 MS H2O LP
        HB2     21 MET  HN      6.0          #BOTH     65 MS H2O LP
        HA      31 CYS  HA      2.5          #         100 MS D2O
        HB1     31 CYS  HA      6.0          #BOTH     250 MS D2O
        HB2     31 CYS  HA      6.0          #BOTH     250 MS D2O 
21 MET
        HN      21 MET  QG      5.0          #m,db#    65 MS H2O
        HA      22 HIS  HN      2.5          #         65 MS H2O
        QB      22 HIS  HN      3.9          #m,db#    65 MS H2O
        QG      22 HIS  HN      7.0          #m,dg#    65 MS H2O
        HA      23 ILE  QG2     8.4          #q        250 MS D2O
        HN      30 THR  HN      3.0          #         65 MS H2O
        HN      30 THR  QG      7.0          #m        65 MS H2O LP
        HA      30 THR  QG      7.0          #m        250 MS D2O
        HN      31 CYS  HA      4.0          #         65 MS H2O
        QG      31 CYS  HA      7.0          #m        250 MS D2O 
        QG      32 ASN  HN      7.0          #m,db#    65 MS H2O
        QG      32 ASN  QB      8.0          #m+m      100 MS D2O
        QG      32 ASN  HDE     7.0          #m        65 MS H2O
        QE      32 ASN  HDE     7.0          #m        65 MS H2O
        O       30 THR  HN      2.0          #         H-BOND   
        O       30 THR  N       3.0          #         H-BOND
        HN      30 THR  O       2.0          #         H-BOND 
        N       30 THR  O       3.0          #         H-BOND
22 HIS   
        HN      22 HIS  HB1     2.7          #BOTH     65 MS H2O
        HN      22 HIS  HB2     2.7          #BOTH     65 MS H2O
        HA      22 HIS  HD4     4.0          #         65 MS H2O
        HB1     22 HIS  HD4     4.0          #BOTH     65 MS H2O
        HB2     22 HIS  HD4     4.0          #BOTH     65 MS H2O
        HN      23 ILE  QG2     7.0          #m        65 MS H2O LP
        HA      23 ILE  HN      2.5          #         65 MS H2O
        HB1     23 ILE  HN      6.0          #BOTH     65 MS H2O LP
        HB2     23 ILE  HN      6.0          #BOTH     65 MS H2O LP
        HD4     23 ILE  HN      6.0          #         65 MS H2O
        HD4     23 ILE  QG2     7.0          #m        100 MS D2O
        HD4     24 GLU  HA      6.0          #         100 MS D2O
        HD4     24 GLU  QG      7.0          #m        250 MS D2O
        HE2     24 GLU  HA      6.0          #         100 MS D2O
        HE2     24 GLU  QB      7.0          #m        250 MS D2O 
        HE2     24 GLU  QG      7.0          #m        250 MS D2O
        HD4     27 ASP  HA      6.0          #         100 MS D2O
        HD4     27 ASP  QB      7.0          #m        250 MS D2O            
        HE2     27 ASP  HA      6.0          #         100 MS D2O
        HE2     27 ASP  HB1     6.0          #BOTH     250 MS D2O             
        HE2     27 ASP  HB2     6.0          #BOTH     250 MS D2O             
        HD4     28 SER  HA      6.0          #         250 MS D2O              
        HD4     28 SER  HB1     6.0          #BOTH     250 MS D2O             
        HD4     28 SER  HB2     6.0          #BOTH     250 MS D2O              
        HE2     28 SER  HA      6.0          #         250 MS D2O              
        HE2     28 SER  QB      7.0          #m        250 MS D2O              
        HA      29 TYR  HA      2.5          #         100 MS D2O
        HA      29 TYR  CG1     8.2          #r        100 MS D2O
        HA      29 TYR  CZ4     8.2          #r        100 MS D2O             
        HB1     29 TYR  HA      6.0          #BOTH     250 MS D2O     
        HB2     29 TYR  HA      6.0          #BOTH     250 MS D2O     
        HB1     29 TYR  CZ4     8.2          #BOTH,r   65 MS H2O              
        HB2     29 TYR  CZ4     8.2          #BOTH,r   100 MS D2O             
        QB      29 TYR  CG1     9.2          #m+r      100 MS D2O           
        HD4     29 TYR  HA      6.0          #         100 MS D2O         
        HD4     29 TYR  HB1     6.0          #BOTH     250 MS D2O            
        HD4     29 TYR  HB2     6.0          #BOTH     250 MS D2O            
        HD4     29 TYR  CG1     8.2          #r        100 MS D2O            
        HD4     29 TYR  CZ4     8.2          #r        100 MS D2O             
        HE2     29 TYR  HA      6.0          #         250 MS D2O               
        HE2     29 TYR  QB      7.0          #m        250 MS D2O               
        HE2     29 TYR  CG1     8.2          #r        250 MS D2O               
        HE2     29 TYR  CZ4     8.2          #r        250 MS D2O               
        HA      30 THR  HN      4.0          #         65 MS H2O                      
23 ILE                                                                          
        HN      23 ILE  HB      2.7          #         65 MS H2O                      
        HN      23 ILE  HG1     3.0          #BOTH     65 MS H2O                      
        HN      23 ILE  HG2     3.0          #BOTH     65 MS H2O                     
        HB      24 GLU  HN      3.0          #         65 MS H2O                      
        QG1     24 GLU  HN      7.0          #m        65 MS H2O                      
        QD      24 GLU  HN      7.0          #m        65 MS H2O                      
        HB      27 ASP  HN      6.0          #         65 MS H2O LP             
        HN      28 SER  O       2.0          #         H-BOND                   
        N       28 SER  O       3.0          #         H-BOND                   
        HB      28 SER  HN      3.0          #         65 MS H2O                      
        HB      28 SER  HB1     4.0          #BOTH     100 MS D2O                     
        HB      28 SER  HB2     4.0          #BOTH     100 MS D2O                    
        QD      28 SER  HA      7.0          #m        250 MS D2O               
        QD      28 SER  HB1     7.0          #m,BOTH   100 MS D2O                     
        QD      28 SER  HB2     7.0          #m,BOTH   100 MS D2O                    
        QG1     30 THR  HN      7.0          #m        65 MS H2O LP             
        QG2     30 THR  HA      7.0          #m        250 MS D2O               
        QD      30 THR  HN      7.0          #m        65 MS H2O LP             
        QD      30 THR  HA      7.0          #m        250 MS D2O               
24 GLU                                                                          
        HN      24 GLU  QB      3.1          #i,db     65 MS H2O                      
        HN      24 GLU  QG      4.8          #m,db     65 MS H2O                      
        QB      25 SER  HN      7.0          #m        65 MS H2O LP             
        HA      26 LEU  HN      4.0          #         65 MS H2O                      
        HA      27 ASP  HN      4.0          #         65 MS H2O                      
        HA      27 ASP  HA      2.5          #         100 MS D2O                     
25 SER                                                                          
        HN      25 SER  QB      3.3          #i,db#    65 MS H2O                      
        HN      26 LEU  HN      2.7          #         65 MS H2O                      
        HN      26 LEU  QB      7.0          #m        65 MS H2O LP             
        HN      26 LEU  HG      6.0          #         65 MS H2O LP             
        HA      26 LEU  HN      4.0          #         65 MS H2O                      
        HN      27 ASP  QB      7.0          #m        65 MS H2O LP             
26 LEU                                                                          
        HN      26 LEU  HB1     3.0          #BOTH     65 MS H2O                      
        HN      26 LEU  HB2     3.0          #BOTH     65 MS H2O                     
        HN      27 ASP  HN      2.7          #         65 MS H2O                      
        HA      27 ASP  HN      3.0          #         65 MS H2O                      
        HB1     27 ASP  HN      4.0          #BOTH     65 MS H2O                      
        HB2     27 ASP  HN      4.0          #BOTH     65 MS H2O                     
        QQD     27 ASP  HN      8.4          #q        65 MS H2O LP             
        HB1     28 SER  HB1     4.0          #BOTH,BOTH  100 MS D2O                   
        HB1     28 SER  HB2     4.0          #BOTH,BOTH  100 MS D2O                   
        HB2     28 SER  HB1     4.0          #BOTH,BOTH  100 MS D2O                   
        HB2     28 SER  HB2     4.0          #BOTH,BOTH  100 MS D2O                   
27 ASP                                                                          
        HN      27 ASP  HA      2.5          #         65 MS H2O                      
        HA      28 SER  HN      2.5          #         65 MS H2O                      
        HB1     28 SER  HN      4.0          #         65 MS H2O                      
        HB2     28 SER  HN      4.0          #         65 MS H2O                     
        QB      28 SER  HA      7.0          #m        250 MS D2O               
        HA      29 TYR  CZ4     8.2          #r        100 MS D2O                     
28 SER                                                                          
        HN      28 SER  HB1     3.0          #BOTH     65 MS H2O                      
        HN      28 SER  HB2     3.0          #BOTH     65 MS H2O                     
        HA      29 TYR  HN      2.5          #         65 MS H2O                      
        HA      29 TYR  HA      6.0          #         250 MS D2O               
        HA      29 TYR  CG1     8.2          #r,dd     100 MS D2O                     
        HA      29 TYR  CZ4     8.2          #r,de     100 MS D2O                     
        HB1     29 TYR  HN      4.0          #BOTH     65 MS H2O                      
        HB2     29 TYR  HN      4.0          #BOTH     65 MS H2O                     
        HA      30 THR  HB      6.0          #         250 MS D2O               
29 TYR                                                                          
        HA      29 TYR  CZ4     4.6          #i,dd     65 MS H2O                     
        HN      30 THR  QG      7.0          #m        65 MS H2O LP             
        HA      30 THR  HN      2.5          #         65 MS H2O                      
        HA      30 THR  QG      7.0          #m        250 MS D2O               
        HB1     30 THR  HN      4.0          #BOTH     65 MS H2O                      
        HB2     30 THR  HN      4.0          #BOTH     65 MS H2O                     
30 THR                                                                          
        HN      30 THR  QG      4.8          #m,Me     65 MS H2O                      
        HA      31 CYS  HN      2.5          #         65 MS H2O                      
        HB      31 CYS  HN      3.0          #         65 MS H2O                      
        QG      31 CYS  HN      7.0          #m,Me     65 MS H2O                      
        HA      40 ASP  HA      6.0          #         250 MS D2O               
31 CYS                                                                          
        HA      32 ASN  HN      2.5          #         65 MS H2O                      
        QB      32 ASN  HN      4.7          #m        65 MS H2O                     
        HA      40 ASP  HA      6.0          #         250 MS D2O               
        QB      40 ASP  HA      5.0          #m        100 MS D2O                     
        HB1     41 ARG  HA      3.0          #BOTH     100 MS D2O                     
        HB2     41 ARG  HA      3.0          #BOTH     100 MS D2O                    
        QB      42 CYS  HN      7.0          #m        65 MS H2O LP             
32 ASN                                                                          
        HN      32 ASN  QB      3.3          #m        65 MS H2O                      
        HB1     32 ASN  HDE     2.7          #BOTH     65 MS H2O                     
        HB2     32 ASN  HDE     2.7          #BOTH     65 MS H2O                     
        HA      33 CYS  HA      6.0          #         250 MS D2O               
        HB1     33 CYS  HN      4.0          #BOTH     65 MS H2O                     
        HB2     33 CYS  HN      4.0          #BOTH     65 MS H2O                     
33 CYS                                                                          
        HN      33 CYS  HB1     3.0          #BOTH     65 MS H2O                      
        HN      33 CYS  HB2     3.0          #BOTH     65 MS H2O                     
        HA      34 VAL  HA      6.0          #         250 MS D2O               
        HA      34 VAL  QQG     8.4          #q        250 MS D2O               
        HB1     34 VAL  HN      3.8          #BOTH     65 MS H2O                      
        HB2     34 VAL  HN      3.8          #BOTH     65 MS H2O                     
        HA      37 TYR  QB      7.0          #m        250 MS D2O               
        HA      37 TYR  CG1     8.2          #r        250 MS D2O               
        HA      37 TYR  CZ4     8.2          #r        250 MS D2O               
        QB      37 TYR  HA      7.0          #m        250 MS D2O               
        QB      37 TYR  CG1     9.2          #r+m      250 MS D2O               
        QB      37 TYR  CZ4     9.2          #r+m      250 MS D2O               
        HB1     38 SER  HA      4.0          #BOTH     100 MS D2O                     
        HB2     38 SER  HA      4.0          #BOTH     100 MS D2O                     
        HA      42 CYS  QB      7.0          #m        250 MS D2O               
        HB1     42 CYS  HA      4.0          #BOTH     100 MS D2O                     
        HB2     42 CYS  HA      4.0          #BOTH     100 MS D2O                    
        SG      42 CYS  SG      2.1          #         S-S CONSTR               
        SG      42 CYS  CB      3.1          #         S-S CONSTR               
        CB      42 CYS  SG      3.1          #         S-S CONSTR               
34 VAL                                                                          
        HN      34 VAL  HB      3.0          #         65 MS H2O                      
        HN      34 VAL  QG1     4.8          #BOTH,m,Me  65 MS H2O                    
        HN      34 VAL  QG2     4.8          #BOTH,m,Me  65 MS H2O                   
        HA      35 ILE  HN      2.5          #         65 MS H2O                         
        HB      35 ILE  HN      2.7          #         65 MS H2O                         
        QG2     35 ILE  HN      4.0          #Me       65 MS H2O                       
        HB      37 TYR  CG1     8.2          #r,dd     100 MS D2O                     
        HB      37 TYR  CZ4     8.2          #r,de     100 MS D2O                     
        QG1     37 TYR  CG1     9.2          #m+r,dd,BOTH 100 MS D2O                  
        QG2     37 TYR  CG1     9.2          #m+r,dd,BOTH 100 MS D2O                  
        QG1     37 TYR  CZ4     9.2          #m+r,de,BOTH 100 MS D2O                  
        QG2     37 TYR  CZ4     9.2          #m+r,de,BOTH 100 MS D2O                  
        O       37 TYR  HN      2.0          #         H-BOND                   
        O       37 TYR  N       3.0          #         H-BOND                   
        HN      37 TYR  O       2.0          #         H-BOND                   
        N       37 TYR  O       3.0          #         H-BOND                   
        QQG     50 TRP  HZ7     7.0          #m        65 MS H2O LP             
35 ILE                                                                          
        HN      35 ILE  HA      2.5          #         65 MS H2O                      
        HN      35 ILE  HB      2.5          #         65 MS H2O                      
        HN      35 ILE  HG1     3.0          #BOTH     65 MS H2O                      
        HN      35 ILE  HG2     3.0          #BOTH     65 MS H2O                     
        HN      35 ILE  QG2     4.0          #m,Me     65 MS H2O                      
        HA      36 GLY  HN      2.5          #         65 MS H2O                      
        HB      36 GLY  HN      4.0          #         65 MS H2O                      
        QG1     36 GLY  HN      7.0          #m        65 MS H2O LP             
        QG2     36 GLY  HN      5.0          #m,Me     65 MS H2O                      
        HA      37 TYR  HN      3.0          #         65 MS H2O                      
        HA      37 TYR  CG1     8.2          #r        250 MS D2O               
        HA      37 TYR  CZ4     8.2          #r        250 MS D2O               
        QG1     37 TYR  CG1     9.2          #r+m      250 MS D2O               
        QG1     37 TYR  CZ4     9.2          #r+m      250 MS D2O               
        QG2     37 TYR  CG1     9.2          #r+m      250 MS D2O               
        QG2     37 TYR  CZ4     9.2          #r+m      250 MS D2O               
        QD      49 TRP  HD2     7.0          #m        100 MS D2O                     
        HG1     49 TRP  HE1     6.0          #BOTH     65 MS H2O LP             
        HG2     49 TRP  HE1     6.0          #BOTH     65 MS H2O LP             
        QG2     49 TRP  HE1     7.0          #m        65 MS H2O LP             
        QD      49 TRP  HE1     7.0          #m        65 MS H2O LP             
        QG1     50 TRP  HE1     7.0          #m        65 MS H2O LP             
        HG1     50 TRP  HZ7     6.0          #BOTH     65 MS H2O LP             
        HG2     50 TRP  HZ7     6.0          #BOTH     65 MS H2O LP             
        QG2     50 TRP  HZ7     7.0          #m        65 MS H2O LP             
        QD      50 TRP  HZ7     7.0          #m        65 MS H2O LP             
        QD      50 TRP  HE1     7.0          #m        65 MS H2O LP             
36 GLY                                                                          
        HA1     37 TYR  HN      6.0          #         65 MS H2O LP             
        HA2     37 TYR  HN      6.0          #         65 MS H2O LP             
        CA      37 TYR  CG1     9.2          #m+r      250 MS D2O               
        CA      37 TYR  CZ4     9.2          #m+r      250 MS D2O               
        CA      46 ASP  HN      7.0          #m        65 MS H2O LP             
        HA1     46 ASP  HA      6.0          #BOTH     250 MS D20               
        HA2     46 ASP  HA      6.0          #BOTH     250 MS D2O               
        CA      50 TRP  HE1     7.0          #m        65 MS H2O LP             
37 TYR                                                                          
        HA      37 TYR  CZ4     4.6          #i,dd     100 MS D2O                     
        QB      37 TYR  CZ4     5.6          #m+i,de   100 MS D2O                     
        HA      38 SER  HA      6.0          #         250 MS D2O               
        HA      38 SER  HN      2.5          #         65 MS H2O                      
        QB      38 SER  HA      7.0          #m        250 MS D2O               
        CG1     38 SER  HN      8.2          #r        65 MS H2O                      
        CG1     38 SER  HA      8.2          #r        250 MS D2O               
        CG1     38 SER  QB      9.2          #r+m      250 MS D2O               
        CZ4     38 SER  HA      8.2          #r        250 MS D2O               
        HA      42 CYS  HB1     6.0          #BOTH     250 MS D2O               
        HA      42 CYS  HB2     6.0          #BOTH     250 MS D2O               
        CG1     42 CYS  HA      8.2          #r,dd     100 MS D2O                     
        CG1     42 CYS  QB      9.2          #r+m      250 MS D2O               
        CZ4     42 CYS  QB      9.2          #r+m      250 MS D2O               
        CG1     43 GLN  QG      9.2          #r+m      250 MS D2O               
        CZ4     43 GLN  QG      9.2          #r+m      250 MS D2O               
        HA      44 THR  HN      6.0          #         65 MS H2O LP             
        CG1     44 THR  HA      8.2          #r        250 MS D2O               
        CZ4     44 THR  HA      8.2          #r        250 MS D2O               
        CG1     44 THR  HB      8.2          #r        250 MS D2O               
        CG1     44 THR  QG      9.2          #r+m      250 MS D2O               
        CZ4     44 THR  QG      9.2          #r+m      250 MS D2O               
        HA      45 ARG  HN      6.0          #         65 MS H2O LP             
        HA      45 ARG  HA      2.5          #         100 MS D2O                     
        HA      45 ARG  HB1     6.0          #BOTH     250 MS D2O               
        HA      45 ARG  HB2     6.0          #BOTH     250 MS D2O               
        HA      45 ARG  QG      7.0          #m        100 MS D2O                     
        CG1     45 ARG  HA      8.2          #r,dd     100 MS D2O                     
        CG1     45 ARG  QB      9.2          #r+m      250 MS D2O               
        CG1     45 ARG  QG      9.2          #r+m,dg#  100 MS D2O                     
        CZ4     45 ARG  HA      8.2          #r,de     100 MS D2O                     
        CZ4     45 ARG  HB1     8.2          #r,BOTH   65 MS H2O                      
        CZ4     45 ARG  HB2     8.2          #r,BOTH   65 MS H2O                      
        CZ4     45 ARG  QG      9.2          #r+m,dg#  100 MS D2O                     
        CZ4     45 ARG  QD      9.2          #r+m      100 MS D2O                     
        HA      46 ASP  HN      2.7          #         65 MS H2O                      
        CG1     47 LEU  QQD    10.6          #r+q      250 MS D2O               
        CZ4     47 LEU  QQD    10.6          #r+q      250 MS D2O               
        CG1     50 TRP  HZ7     8.2          #r        250 MS D2O               
        CZ4     50 TRP  HH6     8.2          #r        100 MS D2O                     
        CZ4     50 TRP  HZ7     8.2          #r        100 MS D2O                     
38 SER                                                                          
        QB      39 GLY  HN      4.0          #m,db#    65 MS H2O                      
        HN      42 CYS  HA      6.0          #         65 MS H2O LP             
        HA      42 CYS  HA      2.5          #         100 MS D2O                     
        HA      42 CYS  QB      7.0          #m        250 MS D2O               
        HN      44 THR  HN      3.0          #         65 MS H2O                      
        HN      44 THR  HB      3.0          #         65 MS H2O                      
        HN      44 THR  QG      7.0          #m,Me     65 MS H2O                      
        O       44 THR  HN      2.0          #         H-BOND                   
        O       44 THR  N       3.0          #         H-BOND                   
        HN      44 THR  O       2.0          #         H-BOND                   
        N       44 THR  O       3.0          #         H-BOND                   
        HN      45 ARG  HA      4.0          #         65 MS H2O                      
39 GLY                                                                          
        CA      40 ASP  HN      3.2          #g        65 MS H2O                      
        CA      44 THR  QG      7.0          #m        250 MS D2O               
40 ASP                                                                          
        HN      40 ASP  HA      2.5          #         65 MS H2O                      
        HN      40 ASP  QB      3.3          #i,db     65 MS H2O                      
        HN      41 ARG  HN      4.0          #         65 MS H2O                      
        QB      41 ARG  HN      7.0          #m        65 MS H2O LP             
        HA      42 CYS  HN      6.0          #         65 MS H2O LP             
        HN      43 GLN  HEZ     6.0          #         65 MS H2O                      
41 ARG                                                                          
        HD1     41 ARG  HE      3.0          #         65 MS H2O                     
        HD2     41 ARG  HE      3.0          #         65 MS H2O                     
        QG      41 ARG  HE      3.7          #m        65 MS H2O                     
        HN      42 CYS  HN      2.7          #         65 MS H2O                      
        QB      42 CYS  HN      7.0          #m        65 MS H2O LP             
        QG      42 CYS  HN      7.0          #m        65 MS H2O LP             
        HN      43 GLN  QB      7.0          #m        65 MS H2O LP             
        CZ      43 GLN  QB      9.4          #q+m      65 MS H2O LP             
42 CYS                                                                          
        HN      42 CYS  HA      2.5          #         65 MS H2O                      
        HN      43 GLN  HN      3.0          #         65 MS H2O                      
        HN      43 GLN  QB      7.0          #m        65 MS H2O LP             
43 GLN                                                                          
        HN      43 GLN  HA      2.7          #         65 MS H2O                      
        HN      43 GLN  HB1     4.0          #BOTH     65 MS H2O                     
        HN      43 GLN  HB2     4.0          #BOTH     65 MS H2O                     
        HB1     43 GLN  HEE     4.0          #BOTH     65 MS H2O                     
        HB2     43 GLN  HEE     4.0          #BOTH     65 MS H2O                     
        HG1     43 GLN  HEE     3.0          #BOTH     65 MS H2O                     
        HG2     43 GLN  HEE     3.0          #BOTH     65 MS H2O                     
        HA      44 THR  HN      4.0          #         65 MS H2O                      
        HA      44 THR  HA      6.0          #         250 MS D2O               
        QB      44 THR  HA      6.0          #         250 MS D2O               
        HG1     44 THR  HA      6.0          #BOTH     250 MS D2O               
        HG2     44 THR  HA      6.0          #BOTH     250 MS D2O               
        HN      44 THR  HN      2.7          #         65 MS H2O                      
        HN      44 THR  QG      7.0          #m        65 MS H2O LP             
        HB1     44 THR  HN      6.0          #BOTH     65 MS H2O LP             
        HB2     44 THR  HN      6.0          #BOTH     65 MS H2O LP             
        HG1     44 THR  HN      6.0          #BOTH     65 MS H2O LP             
        HG2     44 THR  HN      6.0          #BOTH     65 MS H2O LP             
        HEE     44 THR  QG      7.0          #m        65 MS H2O LP             
        HN      45 ARG  QG      7.0          #m        65 MS H2O LP             
44 THR                                                                          
        HN      44 THR  HA      2.7          #         65 MS H2O                      
        HN      44 THR  HB      2.5          #         65 MS H2O                      
        HN      44 THR  QG      4.8          #Me,m     65 MS H2O                      
        HA      45 ARG  HN      2.5          #         65 MS H2O                      
        HA      45 ARG  QG      7.0          #m        250 MS D2O               
        HB      45 ARG  HN      6.0          #         65 MS H2O LP             
        QG      45 ARG  HN      7.0          #Me,m     65 MS H2O                      
        HB      46 ASP  HA      6.0          #         250 MS D2O               
        QG      46 ASP  HN      7.0          #m        65 MS H2O LP             
        QG      46 ASP  HA      7.0          #m        250 MS D2O               
45 ARG                                                                          
        HN      45 ARG  HA      2.7          #         65 MS H2O                      
        HN      45 ARG  HB1     2.7          #BOTH     65 MS H2O                      
        HN      45 ARG  HB2     2.7          #BOTH     65 MS H2O                     
        HN      45 ARG  QG      3.7          #m,db#    65 MS H2O                      
        HB1     46 ASP  HN      4.0          #BOTH     65 MS H2O                      
        HB2     46 ASP  HN      4.0          #BOTH     65 MS H2O                     
        QB      46 ASP  HA      7.0          #m        250 MS D2O               
        QG      46 ASP  HN      7.0          #m,dg#    65 MS H2O                      
        QG      47 LEU  HN      7.0          #m,dg#    65 MS H2O                      
        QG      50 TRP  HZ7     7.0          #m        65 MS H2O LP             
46 ASP                                                                          
        HN      46 ASP  HA      2.7          #         65 MS H2O                      
        HN      46 ASP  HB1     3.0          #BOTH     65 MS H2O                      
        HN      46 ASP  HB2     3.0          #BOTH     65 MS H2O                     
        HN      47 LEU  HN      3.8          #         65 MS H2O                      
        HA      47 LEU  HN      2.7          #         65 MS H2O                      
        HA      47 LEU  QQD     8.4          #q        250 MS D2O               
        HB1     47 LEU  HN      3.0          #BOTH     65 MS H2O                      
        HB2     47 LEU  HN      3.0          #BOTH     65 MS H2O                     
47 LEU                                                                          
        HN      47 LEU  QB      3.3          #i        65 MS H2O                      
        HN      47 LEU  QD1     5.0          #m        65 MS H2O                     
        HN      47 LEU  QD2     5.0          #m        65 MS H2O                     
48 ARG                                                                          
        HN      48 ARG  HA      2.5          #         65 MS H2O                      
        HN      48 ARG  QB      3.3          #i        65 MS H2O                      
        HN      49 TRP  HN      2.7          #         65 MS H2O                      
        HA      49 TRP  HN      2.5          #         65 MS H2O                      
        QB      49 TRP  HN      4.0          #m        65 MS H2O                      
        QG      49 TRP  HN      7.0          #m        65 MS H2O LP             
        QD      49 TRP  HN      7.0          #m        65 MS H2O LP             
        HA      50 TRP  HE1     6.0          #         65 MS H2O LP             
        HB1     50 TRP  HE1     6.0          #BOTH     65 MS H2O LP             
        HB2     50 TRP  HE1     6.0          #BOTH     65 MS H2O LP             
49 TRP                                                                          
        HN      49 TRP  HA      2.5          #         65 MS H2O                      
        HN      49 TRP  HB1     2.7          #         65 MS H2O                      
        HN      49 TRP  HB2     2.7          #         65 MS H2O                     
        HA      49 TRP  HD2     4.0          #         100 MS D2O                     
        HA      50 TRP  HN      6.0          #         65 MS H2O LP             
        QB      50 TRP  HN      7.0          #m        65 MS H2O LP             
50 TRP                                                                          
        HA      51 GLU  HN      6.0          #         65 MS H2O LP             
        HB1     51 GLU  HN      6.0          #BOTH     65 MS H2O LP             
        HB2     51 GLU  HN      6.0          #BOTH     65 MS H2O LP             
        HE1     51 GLU  QG      7.0          #m        65 MS H2O LP             
51 GLU                                                                          
        HN      51 GLU  QG      5.0          #m        65 MS H2O                      
        HA      52 LEU  HN      6.0          #         65 MS H2O LP             
        HB1     52 LEU  HN      4.0          #BOTH     65 MS H2O                      
        HB2     52 LEU  HN      4.0          #BOTH     65 MS H2O                     
        QG      52 LEU  HN      7.0          #m        65 MS H2O LP             
52 LEU                                                                          
        HN      52 LEU  QB      3.3          #i,db     65 MS H2O                      
        HA      53 ARG  HN      6.0          #         65 MS H2O LP             
        QQD     53 ARG  HN      8.4          #q        65 MS H2O LP             
53 ARG                                                                          
        HN      53 ARG  QG      5.0          #m        65 MS H2O 
___________________________________________________________________________
The pseudo-atom (QA, QB, QG, QE, QQG, QQD, CG1, and CZ4) names 
are those described in Wuethrich, et al.[J. Mol. Biol.169: 949(1983)]. 
The side-chain amide protons (HDE, HDZ in Asn and HEE, HEZ in Gln) 
have been individually assigned.

Each upper-bound constraint includes a brief comment(#)indicating the 
magnitude of the pseudo-atom correction factor which has been added 
to the value determined from the scheme outlined in Table I of
the article cited in the JRNL entry.  The basis for these values 
(i,g,m,r,q corresponding to 0.6,0.7,1.0,2.0,and 2.4 angstroms)is 
described in Wuethrich, et al.[J. Mol. Biol. 169: 949(1983)].

Additional comments are:
da-degenerate alpha proton resonances, NOE intensity divided by two;
db-degenerate beta proton resonances, NOE intensity divided by two;
dg-degenerate gamma proton resonances, NOE intensity divided by two;
dd-degenerate delta proton resonances, NOE intensity divided by two;
de-degenerate epsilon proton resonances, NOE intensity divided by two;
Me-methyl protons, NOE intensity divided by three;
BOTH-both NOESY crosspeaks between a given proton and the two protons
  of a single methylene could be established quantitatively, and both
  upper-bound constraints were assigned to the larger of the two 
  corresponding distances;
SS-CONSTR - disulfide constraint;
H-BOND - hydrogen-bond constraint.

The NOE-derived upperbound distance constraints were derived from 
three NOESY spectra: 65 ms mixing time in H2O (65 MS H2O); 100 ms
mixing time in D2O (100 MS H2O); and 250 ms mixing time in D2O 
(250 ms D2O).  Additional NOE-derived constraints which were derived 
from carefully baseline-corrected 65 ms mixing time data are indicated 
as 65 MS H2O LP (low plotting).



Table II.  Lower-bound Constraint List
	     Murine Epidermal Growth Factor
	      pH: 3.1, Temp: 28 deg
 6 CYS                                                                          
        SG      20 CYS  SG      2.0             #SS CONSTR                      
        SG      20 CYS  CB      3.0             #SS CONSTR                      
        CB      20 CYS  SG      3.0             #SS CONSTR                      
14 CYS                                                                          
        SG      31 CYS  SG      2.0             #SS CONSTR                      
        SG      31 CYS  CB      3.0             #SS CONSTR                      
        CB      31 CYS  SG      3.0             #SS CONSTR                      
33 CYS                                                                          
        SG      42 CYS  SG      2.0             #SS CONSTR                      
        SG      42 CYS  CB      3.0             #SS CONSTR                      
        CB      42 CYS  SG      3.0             #SS CONSTR                      
19 VAL                                                                          
        O       32 ASN  HN      1.8             #H-BOND                         
        O       32 ASN  N       2.7             #H-BOND                         
        HN      32 ASN  O       1.8             #H-BOND                         
        N       32 ASN  O       2.7             #H-BOND                         
21 MET                                                                          
        O       30 THR  HN      1.8             #H-BOND                         
        O       30 THR  N       2.7             #H-BOND                         
        HN      30 THR  O       1.8             #H-BOND                         
        N       30 THR  O       2.7             #H-BOND                         
23 ILE                                                                          
        HN      28 SER  O       1.8             #H-BOND                         
        N       28 SER  O       2.7             #H-BOND                         
34 VAL                                                                          
        O       37 TYR  HN      1.8             #H-BOND                         
        O       37 TYR  N       2.7             #H-BOND                         
        HN      37 TYR  O       1.8             #H-BOND                         
        N       37 TYR  O       2.7             #H-BOND                         
38 SER                                                                          
        O       44 THR  HN      1.8             #H-BOND                         
        O       44 THR  N       2.7             #H-BOND                         
        HN      44 THR  O       1.8             #H-BOND                         
        N       44 THR  O       2.7             #H-BOND 
_________________________________________________________________________
The comments are:
SS-CONSTR - disulfide constraint.
H-BOND - hydrogen-bond constraint.


Table III.    Dihedral Angle Constraint List
		Murine Epidermal Growth Factor
		 pH: 3.1; Temp: 28 deg

 Residue  Coupling Constant     Data Type       Dihedral Angle Range
_____________________________________________________________________

  2 SER      JPHI=8.2         2Q-SPECTRUM, H2O    PHI -160.0   -80.0      
  6 CYS      JPHI=8.6         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 10 TYR      JPHI=10.3        2Q-SPECTRUM, H2O    PHI -160.0   -80.0 
 14 CYS      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0    
 14 CYS  J(A-B3) = 12  J(A-B2)=3  COSY-30, D2O   CHI1  -90.0   -30.0
 15 LEU      JPHI=10.8        2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 16 ASN  J(A-B3)=10    J(A-B2)=2  COSY-30, D2O   CHI1  -90.0   -30.0 
 19 VAL      JPHI=9.9         2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
 20 CYS      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 20 CYS  J(A-B3)=4     J(A-B2)=12 COSY-30, D2O   CHI1  150.0   210.0
 21 MET      JPHI=9.9         2Q-SPECTRUM, H2O    PHI -160.0   -80.0 
 22 HIS      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0 
 23 ILE      JPHI=9.9         2Q-SPECTRUM, H2O    PHI -160.0   -80.0 
 26 LEU      JPHI=10.6        2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 26 LEU  J(A-B3)=5    J(A-B2)=10  COSY-30, D2O   CHI1  150.0   210.0  
 28 SER      JPHI=8.6         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 28 SER  J(A-B3)=4    J(A-B2)=4   COSY-30, D2O   CHI1   30.0    90.0    
 29 TYR      JPHI=10.3        2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 29 TYR  J(A-B2)=3    J(A-B3)=12  COSY-30, D2O   CHI1  -90.0   -30.0 
 30 THR      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
 31 CYS      JPHI=9.0         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 31 CYS  J(A-B3)=12   J(A-B2)=3   COSY-30, D2O   CHI1  -90.0   -30.0  
 32 ASN      JPHI=9.7         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 34 VAL      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
 34 VAL	                      65 MS NOESY, H2O   CHI1   30.0    90.0
 37 TYR      JPHI=9.9         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 38 SER      JPHI=9.9         2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
 45 ARG      JPHI=8.6         2Q-SPECTRUM, H2O    PHI -160.0   -80.0
 46 ASP      JPHI=8.4         2Q-SPECTRUM, H2O    PHI -160.0   -80.0    
 50 TRP      JPHI=9.8         2Q-SPECTRUM, H2O    PHI -160.0   -80.0   
 51 GLU      JPHI=9.5         2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
 52 LEU      JPHI=11.2        2Q-SPECTRUM, H2O    PHI -160.0   -80.0  
_________________________________________________________________________


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  15 H/Q atoms
  Start of MODEL    1
    1    OH   TYR   3           OH       TYR   3 -13.389  12.032  -3.318
    2    OH   TYR  10           OH       TYR  10  -3.322   7.374  -9.651
    3    OH   TYR  13           OH       TYR  13   0.263   4.902  -7.608
    4    OH   TYR  29           OH       TYR  29  -8.774   9.572  -7.777
    5    OH   TYR  37           OH       TYR  37   4.421 -11.463   1.492
    6    NH1  ARG  41           NH2      ARG  41   4.337  -0.030  -7.094
    7    NH2  ARG  41           NH1      ARG  41   3.058  -0.750  -8.890
    8    NH1  ARG  45           NH1      ARG  45   9.332 -12.646  -1.808
    9    NH2  ARG  45           NH2      ARG  45   7.493 -12.736  -0.402
   10    NH1  ARG  48           NH1      ARG  48  14.716   1.322   5.593
   11    NH2  ARG  48           NH2      ARG  48  14.084   3.334   6.555
   12    CH2  TRP  49           CH2      TRP  49   8.502  -4.180  16.933
   13    CH2  TRP  50           CH2      TRP  50   7.340  -2.392   4.420
   14    NH1  ARG  53           NH2      ARG  53   1.173   7.650  22.962
   15    NH2  ARG  53           NH1      ARG  53  -0.438   6.230  23.835
   
  Start of MODEL           2
 Raw file had  15 H/Q atoms
  Start of MODEL    2
    1    OH   TYR   3           OH       TYR   3  -7.191  15.841   1.075
    2    OH   TYR  10           OH       TYR  10  -3.173   7.636 -11.064
    3    OH   TYR  13           OH       TYR  13   0.528   5.414  -8.080
    4    OH   TYR  29           OH       TYR  29  -7.736   8.617  -9.141
    5    OH   TYR  37           OH       TYR  37   2.439 -10.876   2.312
    6    NH1  ARG  41           NH2      ARG  41   1.889  -4.966  -7.683
    7    NH2  ARG  41           NH1      ARG  41   1.087  -4.106  -9.680
    8    NH1  ARG  45           NH2      ARG  45   6.417 -10.995   5.221
    9    NH2  ARG  45           NH1      ARG  45   5.728 -13.176   4.835
   10    NH1  ARG  48           NH2      ARG  48  11.674  -0.416   9.752
   11    NH2  ARG  48           NH1      ARG  48  10.365   0.515   8.081
   12    CH2  TRP  49           CH2      TRP  49   5.781  -7.583  18.671
   13    CH2  TRP  50           CH2      TRP  50   4.456 -10.512   6.964
   14    NH1  ARG  53           NH2      ARG  53   1.009 -22.464  17.650
   15    NH2  ARG  53           NH1      ARG  53  -0.189 -23.494  15.954
   
  Start of MODEL           3
 Raw file had  15 H/Q atoms
  Start of MODEL    3
    1    OH   TYR   3           OH       TYR   3 -13.253  11.873  -3.649
    2    OH   TYR  10           OH       TYR  10  -4.033   7.781 -10.908
    3    OH   TYR  13           OH       TYR  13   0.693   4.796  -9.066
    4    OH   TYR  29           OH       TYR  29  -8.201   9.185  -7.921
    5    OH   TYR  37           OH       TYR  37   5.201 -10.888   2.326
    6    NH1  ARG  41           NH1      ARG  41   3.366   0.762  -8.594
    7    NH2  ARG  41           NH2      ARG  41   2.511  -0.857 -10.015
    8    NH1  ARG  45           NH2      ARG  45   5.889 -10.158  -2.406
    9    NH2  ARG  45           NH1      ARG  45   6.056 -12.293  -1.517
   10    NH1  ARG  48           NH1      ARG  48   2.452 -11.717   3.490
   11    NH2  ARG  48           NH2      ARG  48   2.740 -13.973   3.939
   12    CH2  TRP  49           CH2      TRP  49  10.845  -5.162  12.292
   13    CH2  TRP  50           CH2      TRP  50   2.017  -9.801   6.252
   14    NH1  ARG  53           NH1      ARG  53   5.363 -19.133  21.902
   15    NH2  ARG  53           NH2      ARG  53   7.567 -19.728  22.304
   
  Start of MODEL           4
 Raw file had  15 H/Q atoms
  Start of MODEL    4
    1    OH   TYR   3           OH       TYR   3 -13.286  11.335  -4.015
    2    OH   TYR  10           OH       TYR  10  -3.034   7.754 -11.364
    3    OH   TYR  13           OH       TYR  13   1.586   4.796  -7.050
    4    OH   TYR  29           OH       TYR  29  -8.361   9.120  -8.516
    5    OH   TYR  37           OH       TYR  37   3.793 -10.646   2.505
    6    NH1  ARG  41           NH2      ARG  41   3.204  -0.783  -9.227
    7    NH2  ARG  41           NH1      ARG  41   1.564  -1.928 -10.403
    8    NH1  ARG  45           NH1      ARG  45   6.063 -12.345   0.533
    9    NH2  ARG  45           NH2      ARG  45   5.688 -13.582   2.456
   10    NH1  ARG  48           NH1      ARG  48   8.587 -14.928   9.008
   11    NH2  ARG  48           NH2      ARG  48   8.158 -16.604   7.465
   12    CH2  TRP  49           CH2      TRP  49   4.805  -6.482  16.974
   13    CH2  TRP  50           CH2      TRP  50  -0.082  -6.880   8.175
   14    NH1  ARG  53           NH2      ARG  53   2.041 -22.311  16.228
   15    NH2  ARG  53           NH1      ARG  53   1.161 -23.178  14.267
   
  Start of MODEL           5
 Raw file had  15 H/Q atoms
  Start of MODEL    5
    1    OH   TYR   3           OH       TYR   3 -14.358  10.493  -2.100
    2    OH   TYR  10           OH       TYR  10  -2.226   7.431  -9.676
    3    OH   TYR  13           OH       TYR  13   1.466   4.766  -7.152
    4    OH   TYR  29           OH       TYR  29  -8.507   9.719  -8.391
    5    OH   TYR  37           OH       TYR  37   1.682 -11.488   1.896
    6    NH1  ARG  41           NH1      ARG  41   2.687  -4.272  -7.230
    7    NH2  ARG  41           NH2      ARG  41   3.256  -4.074  -9.469
    8    NH1  ARG  45           NH1      ARG  45   4.975 -13.893   2.760
    9    NH2  ARG  45           NH2      ARG  45   7.105 -14.737   3.101
   10    NH1  ARG  48           NH2      ARG  48  13.553  -9.659   8.302
   11    NH2  ARG  48           NH1      ARG  48  14.093 -11.054   6.532
   12    CH2  TRP  49           CH2      TRP  49   8.220  -1.171  12.100
   13    CH2  TRP  50           CH2      TRP  50   1.980 -10.748  10.580
   14    NH1  ARG  53           NH2      ARG  53   7.443 -17.559  11.350
   15    NH2  ARG  53           NH1       ARG  53   6.438 -19.643  11.198
   
  Start of MODEL           6
 Raw file had  15 H/Q atoms
  Start of MODEL    6
    1    OH   TYR   3           OH       TYR   3 -13.024  11.830  -3.211
    2    OH   TYR  10           OH       TYR  10  -6.584   4.940  -6.639
    3    OH   TYR  13           OH       TYR  13   1.354   4.197  -8.841
    4    OH   TYR  29           OH       TYR  29  -7.232   9.485  -9.547
    5    OH   TYR  37           OH       TYR  37   5.535 -11.166   2.971
    6    NH1  ARG  41           NH1      ARG  41   2.660  -0.073  -8.963
    7    NH2  ARG  41           NH2      ARG  41   1.342  -1.563 -10.151
    8    NH1  ARG  45           NH2      ARG  45   8.963 -12.899   2.453
    9    NH2  ARG  45           NH1      ARG  45   8.109 -12.520   0.331
   10    NH1  ARG  48           NH1      ARG  48  16.900  -4.531  11.779
   11    NH2  ARG  48           NH2      ARG  48  16.288  -3.998  13.950
   12    CH2  TRP  49           CH2      TRP  49   5.039 -10.965  11.518
   13    CH2  TRP  50           CH2      TRP  50   4.143  -2.164   7.786
   14    NH1  ARG  53           NH2      ARG  53   0.465  -6.764  16.635
   15    NH2  ARG  53           NH1      ARG  53  -1.656  -6.171  15.910
   
  Start of MODEL           7
 Raw file had  15 H/Q atoms
  Start of MODEL    7
    1    OH   TYR   3           OH       TYR   3 -14.012  11.243  -2.441
    2    OH   TYR  10           OH       TYR  10  -2.181   6.963  -9.884
    3    OH   TYR  13           OH       TYR  13   0.666   5.039  -7.631
    4    OH   TYR  29           OH       TYR  29  -7.993   9.182  -8.785
    5    OH   TYR  37           OH       TYR  37   3.606 -10.270   3.148
    6    NH1  ARG  41           NH2      ARG  41   3.205  -2.353 -10.342
    7    NH2  ARG  41           NH1      ARG  41   1.623  -3.944 -10.926
    8    NH1  ARG  45           NH2      ARG  45   8.168 -11.821   1.423
    9    NH2  ARG  45           NH1      ARG  45   6.837 -13.227   0.147
   10    NH1  ARG  48           NH2      ARG  48   3.191 -14.922   5.838
   11    NH2  ARG  48           NH1      ARG  48   3.824 -15.798   3.787
   12    CH2  TRP  49           CH2      TRP  49   8.519  -6.112  15.029
   13    CH2  TRP  50           CH2      TRP  50   1.395  -7.964   7.648
   14    NH1  ARG  53           NH1      ARG  53   5.141 -22.477  10.630
   15    NH2  ARG  53           NH2      ARG  53   6.406 -24.096   9.556
   
  Start of MODEL           8
 Raw file had  15 H/Q atoms
  Start of MODEL    8
    1    OH   TYR   3           OH       TYR   3 -12.996  11.829  -2.811
    2    OH   TYR  10           OH       TYR  10  -3.104   7.323 -11.330
    3    OH   TYR  13           OH       TYR  13   0.624   4.688  -8.276
    4    OH   TYR  29           OH       TYR  29  -7.274  10.143  -9.857
    5    OH   TYR  37           OH       TYR  37   3.895 -10.544   2.018
    6    NH1  ARG  41           NH2      ARG  41   2.864  -0.416  -7.954
    7    NH2  ARG  41           NH1      ARG  41   1.762  -1.132  -9.863
    8    NH1  ARG  45           NH2      ARG  45   6.276 -11.528   3.841
    9    NH2  ARG  45           NH1      ARG  45   7.000 -13.420   2.715
   10    NH1  ARG  48           NH2      ARG  48  14.270   0.981   4.534
   11    NH2  ARG  48           NH1      ARG  48  13.411   2.905   5.499
   12    CH2  TRP  49           CH2      TRP  49   5.391   0.443   9.999
   13    CH2  TRP  50           CH2      TRP  50   5.346  -8.068  10.303
   14    NH1  ARG  53           NH2      ARG  53  18.124 -14.079  20.806
   15    NH2  ARG  53           NH1      ARG  53  19.230 -12.535  22.133
   
  Start of MODEL           9
 Raw file had  15 H/Q atoms
  Start of MODEL    9
    1    OH   TYR   3           OH       TYR   3 -12.508  11.918  -2.956
    2    OH   TYR  10           OH       TYR  10  -2.727   7.387 -11.395
    3    OH   TYR  13           OH       TYR  13   1.181   4.063  -8.644
    4    OH   TYR  29           OH       TYR  29  -7.359   9.387  -9.121
    5    OH   TYR  37           OH       TYR  37   6.118 -10.463   0.428
    6    NH1  ARG  41           NH2      ARG  41  -0.382  -3.080  -8.658
    7    NH2  ARG  41           NH1      ARG  41   1.248  -3.048 -10.307
    8    NH1  ARG  45           NH2      ARG  45   9.520 -11.023   1.345
    9    NH2  ARG  45           NH1      ARG  45  10.977 -10.664   3.113
   10    NH1  ARG  48           NH2      ARG  48  12.751  -5.167   6.552
   11    NH2  ARG  48           NH1      ARG  48  14.545  -6.388   5.737
   12    CH2  TRP  49           CH2      TRP  49   5.651  -6.221  16.829
   13    CH2  TRP  50           CH2      TRP  50   3.354 -11.227   6.171
   14    NH1  ARG  53           NH1      ARG  53  12.657 -24.462   9.703
   15    NH2  ARG  53           NH2      ARG  53  10.791 -25.669  10.364
   
  Start of MODEL          10
 Raw file had  15 H/Q atoms
  Start of MODEL   10
    1    OH   TYR   3           OH       TYR   3 -13.376  11.970  -3.591
    2    OH   TYR  10           OH       TYR  10  -2.770   7.639  -9.689
    3    OH   TYR  13           OH       TYR  13   1.414   4.951  -7.499
    4    OH   TYR  29           OH       TYR  29  -8.536  10.024  -8.095
    5    OH   TYR  37           OH       TYR  37   4.097 -11.791   1.388
    6    NH1  ARG  41           NH1      ARG  41   0.589  -4.219  -8.466
    7    NH2  ARG  41           NH2      ARG  41   2.647  -3.716  -9.406
    8    NH1  ARG  45           NH1      ARG  45   5.289 -11.724  -1.966
    9    NH2  ARG  45           NH2      ARG  45   6.352 -13.682  -1.333
   10    NH1  ARG  48           NH2      ARG  48  11.764 -15.102   8.440
   11    NH2  ARG  48           NH1      ARG  48  13.754 -15.723   9.456
   12    CH2  TRP  49           CH2      TRP  49   3.180  -5.719  13.551
   13    CH2  TRP  50           CH2      TRP  50   2.436 -10.527   8.943
   14    NH1  ARG  53           NH1      ARG  53   9.843   1.494  15.797
   15    NH2  ARG  53           NH2      ARG  53   8.060   2.288  17.047
   
  Start of MODEL          11
 Raw file had  15 H/Q atoms
  Start of MODEL   11
    1    OH   TYR   3           OH       TYR   3 -13.758  11.444  -3.659
    2    OH   TYR  10           OH       TYR  10  -2.119   7.445 -10.584
    3    OH   TYR  13           OH       TYR  13   1.159   4.776  -7.875
    4    OH   TYR  29           OH       TYR  29  -7.712   9.553  -8.910
    5    OH   TYR  37           OH       TYR  37   3.069 -11.272   2.793
    6    NH1  ARG  41           NH2      ARG  41   3.492  -0.335  -8.370
    7    NH2  ARG  41           NH1      ARG  41   2.097  -0.884 -10.137
    8    NH1  ARG  45           NH2      ARG  45   8.323 -13.340   0.864
    9    NH2  ARG  45           NH1      ARG  45   6.784 -14.510   2.142
   10    NH1  ARG  48           NH1      ARG  48  13.258  -9.958   7.328
   11    NH2  ARG  48           NH2      ARG  48  12.504 -11.618   8.758
   12    CH2  TRP  49           CH2      TRP  49   6.875   0.592   8.163
   13    CH2  TRP  50           CH2      TRP  50   7.321  -4.582   8.508
   14    NH1  ARG  53           NH1       ARG  53   9.646  -4.256  18.652
   15    NH2  ARG  53           NH2      ARG  53   7.552  -3.458  18.058
   
  Start of MODEL          12
 Raw file had  15 H/Q atoms
  Start of MODEL   12
    1    OH   TYR   3           OH       TYR   3 -13.292  11.961  -3.271
    2    OH   TYR  10           OH       TYR  10  -2.348   7.116 -10.193
    3    OH   TYR  13           OH       TYR  13   1.063   4.197  -8.761
    4    OH   TYR  29           OH       TYR  29  -6.859   9.120  -9.316
    5    OH   TYR  37           OH       TYR  37   2.858 -10.279   3.025
    6    NH1  ARG  41           NH2      ARG  41   0.138  -1.384  -9.327
    7    NH2  ARG  41           NH1      ARG  41   2.187  -1.056 -10.360
    8    NH1  ARG  45           NH2      ARG  45   7.829 -11.090  -1.199
    9    NH2  ARG  45           NH1      ARG  45   6.607 -13.040  -0.917
   10    NH1  ARG  48           NH1      ARG  48  15.103 -16.073   9.439
   11    NH2  ARG  48           NH2      ARG  48  16.774 -14.546   9.939
   12    CH2  TRP  49           CH2      TRP  49   7.566  -5.026  13.307
   13    CH2  TRP  50           CH2      TRP  50   4.138  -8.745  11.137
   14    NH1  ARG  53           NH1      ARG  53  10.835  -0.063  16.526
   15    NH2  ARG  53           NH2      ARG  53   8.853  -0.837  17.448
   
  Start of MODEL          13
 Raw file had  15 H/Q atoms
  Start of MODEL   13
    1    OH   TYR   3           OH       TYR   3  -7.063  16.463   0.857
    2    OH   TYR  10           OH       TYR  10  -4.402   7.548 -10.186
    3    OH   TYR  13           OH       TYR  13  -0.488   5.571  -7.396
    4    OH   TYR  29           OH       TYR  29  -8.802   8.527  -7.666
    5    OH   TYR  37           OH       TYR  37   4.152 -11.327   2.060
    6    NH1  ARG  41           NH1      ARG  41   2.707   1.308  -9.177
    7    NH2  ARG  41           NH2      ARG  41   2.346  -0.707 -10.268
    8    NH1  ARG  45           NH1      ARG  45   6.864 -11.340  -2.051
    9    NH2  ARG  45           NH2      ARG  45   7.036 -13.313  -0.844
   10    NH1  ARG  48           NH1      ARG  48   7.632 -14.920  10.645
   11    NH2  ARG  48           NH2      ARG  48   9.364 -16.046  11.694
   12    CH2  TRP  49           CH2      TRP  49   9.306  -1.010  13.229
   13    CH2  TRP  50           CH2      TRP  50   1.790  -9.944   8.705
   14    NH1  ARG  53           NH2      ARG  53  14.500  -9.319  16.115
   15    NH2  ARG  53           NH1      ARG  53  16.417 -10.621  16.096
   
  Start of MODEL          14
 Raw file had  15 H/Q atoms
  Start of MODEL   14
    1    OH   TYR   3           OH       TYR   3 -12.635  12.806  -3.449
    2    OH   TYR  10           OH       TYR  10  -3.062   6.742 -10.018
    3    OH   TYR  13           OH       TYR  13   0.399   4.594  -8.015
    4    OH   TYR  29           OH       TYR  29  -7.591   8.582  -8.784
    5    OH   TYR  37           OH       TYR  37   5.619  -9.897   1.594
    6    NH1  ARG  41           NH2      ARG  41   1.705  -0.364  -9.464
    7    NH2  ARG  41           NH1      ARG  41   1.784  -2.478 -10.412
    8    NH1  ARG  45           NH2      ARG  45  10.083  -8.875  -1.561
    9    NH2  ARG  45           NH1      ARG  45   9.618 -11.123  -1.230
   10    NH1  ARG  48           NH1      ARG  48   2.200 -10.564   6.866
   11    NH2  ARG  48           NH2      ARG  48   3.093 -10.820   4.741
   12    CH2  TRP  49           CH2      TRP  49   5.591  -1.201  12.103
   13    CH2  TRP  50           CH2      TRP  50   6.116 -11.603   7.989
   14    NH1  ARG  53           NH1      ARG  53   4.423 -17.086  25.739
   15    NH2  ARG  53           NH2      ARG  53   4.349 -19.326  26.330
   
  Start of MODEL          15
 Raw file had  15 H/Q atoms
  Start of MODEL   15
    1    OH   TYR   3           OH       TYR   3 -13.294  11.950  -4.326
    2    OH   TYR  10           OH       TYR  10  -3.991   7.990 -11.222
    3    OH   TYR  13           OH       TYR  13   0.500   5.389  -7.067
    4    OH   TYR  29           OH       TYR  29  -7.809   9.063  -9.265
    5    OH   TYR  37           OH       TYR  37   2.635 -10.757   0.828
    6    NH1  ARG  41           NH2      ARG  41   2.169   0.930  -8.434
    7    NH2  ARG  41           NH1      ARG  41   3.231  -0.562  -9.854
    8    NH1  ARG  45           NH1      ARG  45   5.200 -12.076  -3.017
    9    NH2  ARG  45           NH2      ARG  45   7.092 -13.227  -2.331
   10    NH1  ARG  48           NH2      ARG  48  14.500  -3.568   6.597
   11    NH2  ARG  48           NH1      ARG  48  16.428  -4.595   7.377
   12    CH2  TRP  49           CH2      TRP  49   3.108  -7.997  14.938
   13    CH2  TRP  50           CH2      TRP  50   2.724 -11.088   8.261
   14    NH1  ARG  53           NH1      ARG  53  15.958  -8.410   6.555
   15    NH2  ARG  53           NH2      ARG  53  15.517  -9.283   4.453
   
  Start of MODEL          16
 Raw file had  15 H/Q atoms
  Start of MODEL   16
    1    OH   TYR   3           OH       TYR   3 -13.928  11.862  -2.559
    2    OH   TYR  10           OH       TYR  10  -4.411   7.868 -10.625
    3    OH   TYR  13           OH       TYR  13   0.993   5.520  -7.876
    4    OH   TYR  29           OH       TYR  29  -8.510   8.755  -8.323
    5    OH   TYR  37           OH       TYR  37   3.721 -11.640   2.991
    6    NH1  ARG  41           NH1      ARG  41   4.438   0.496  -7.906
    7    NH2  ARG  41           NH2      ARG  41   3.212  -0.228  -9.737
    8    NH1  ARG  45           NH2      ARG  45   3.913 -12.183  -2.287
    9    NH2  ARG  45           NH1      ARG  45   5.421 -12.237  -4.046
   10    NH1  ARG  48           NH1      ARG  48  16.896  -5.556   1.812
   11    NH2  ARG  48           NH2      ARG  48  15.892  -4.672  -0.083
   12    CH2  TRP  49           CH2      TRP  49  12.811  -7.373  15.157
   13    CH2  TRP  50           CH2      TRP  50   8.025  -2.946   4.966
   14    NH1  ARG  53           NH2      ARG  53   3.750   1.686  13.551
   15    NH2  ARG  53           NH1      ARG  53   3.268   2.545  11.453
   
   
  No H/Q in entry =          15