*HEADER    DNA BINDING PROTEIN                     03-OCT-95   1FTT    
*TITLE     THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN                  
*TITLE    2 (RATTUS NORVEGICUS)                                        
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN;      
*COMPND   3 CHAIN: NULL;                                               
*COMPND   4 SYNONYM: TTF-1 HD;                                         
*COMPND   5 ENGINEERED: YES;                                           
*COMPND   6 OTHER_DETAILS: PH = 4.0 - 4.1, T = 287 - 289 K,            
*COMPND   7 NAN3 (W/V) = 0.2 - 0.5%                                    
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                    
*SOURCE   3 ORGANISM_COMMON: RAT;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21;                            
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PT7.7;                          
*SOURCE   7 EXPRESSION_SYSTEM_GENE: RAT TTF-1                          
*KEYWDS    DNA BINDING PROTEIN, HOMEODOMAIN, TRANSCRIPTION FACTOR      
*EXPDTA    NMR, 20 STRUCTURES                                          
*AUTHOR    F.FOGOLARI,G.ESPOSITO,G.DAMANTE,S.FORMISANO,R.DI LAURO,     
*AUTHOR   2 P.VIGLINO   
*REVDAT   2   31-MAR-09 1FTT    1       ADD MR DATA  
*REVDAT   1   29-JAN-96 1FTT    0                                      
*JRNL       AUTH   G.ESPOSITO,F.FOGOLARI,G.DAMANTE,S.FORMISANO,G.TELL,
*JRNL       AUTH 2 A.LEONARDI,R.DI LAURO,P.VIGLINO                    
*JRNL       TITL   THE SOLUTION STRUCTURE OF THE RAT THYROID          
*JRNL       TITL 2 TRANSCRIPTION FACTOR 1 HOMEODOMAIN BY 1H NMR       
*JRNL       TITL 3 SPECTROSCOPY AND RESTRAINED MOLECULAR MODELING     
*JRNL       REF    TO BE PUBLISHED                                    
*JRNL       REFN                                                  0353
  0 MET  
         HA      1 ARG+ HN      3.60  
  1 ARG+ 
         HA      2 ARG+ HN      3.00 
  2 ARG+ 
         HA      3 LYS+ HN      3.00  
  3 LYS+ 
         HB3     4 ARG+ HN      3.50  
  4 ARG+ 
         HN      4 ARG+ HA      2.60  
         HN      4 ARG+ HB2     3.00  
         HA      5 ARG+ HN      3.50  
  5 ARG+ 
         HA      6 VAL  HN      2.60  
         HB2     6 VAL  HN      3.60 
  6 VAL  
         HN      6 VAL  HA      2.70 
         HN      6 VAL  HB      3.00 
         HN      6 VAL  QG2     4.20 
         HN      6 VAL  QG1     4.40 
         HA      6 VAL  HB      4.20 
         HA      6 VAL  QG2     4.20 
         HA      6 VAL  QG1     3.50 
         QG1     7 LEU  HN      4.40 
         HA      7 LEU  HN      4.00 
  7 LEU  
         HN      7 LEU  QB      3.80 
         HN      7 LEU  HA      3.60 
         HA      8 PHE  HN      2.70 
  8 PHE  
         HN      8 PHE  HA      3.50 
         HN      8 PHE  HB2     3.20 
         HN      8 PHE  HB3     3.80 
         HA      8 PHE  HB2     3.20 
         HA      8 PHE  HB3     3.00 
         HN      8 PHE  QR      6.00 
         HN      9 SER  HN      4.60 
         HA      9 SER  HN      2.90 
         HB2     9 SER  HN      3.80 
         HB3     9 SER  HN      3.20 
         QR      9 SER  HN      6.80 
         QR     13 VAL  QG2     7.10 
         HZ     40 LEU  QD1     5.00 
         HZ     40 LEU  QD2     5.90 
         QR     40 LEU  QD1     7.40 
         QR     40 LEU  QD2     7.00 
  9 SER  
         HN      9 SER  HA      3.40 
         HN      9 SER  HB2     4.50  
         HN      9 SER  HB3     3.60  
         HA      9 SER  HB2     2.80  
         HA      9 SER  HB3     2.80  
         HA     10 GLN  HN      2.90 
         HB3    10 GLN  HN      4.00 
         HB2    10 GLN  HN      3.40 
         HB2    11 ALA  HN      4.30 
         HN     12 GLN  HN      4.10 
         HN     12 GLN  HB2     3.30  
         HN     12 GLN  HB3     3.50 
         HN     13 VAL  QG2     5.00 
         OG     12 GLN  N       3.00 
         OG     12 GLN  HN      2.00 
         O      13 VAL  N       3.00 
         O      13 VAL  HN      2.00 
 10 GLN  
         HN     10 GLN  HA      3.00 
         HN     10 GLN  HB2     3.00 
         HN     10 GLN  HB3     3.20  
         HN     10 GLN  HG2     3.90 
         HN     10 GLN  HG3     4.20  
         HA     10 GLN  HB2     3.20 
         HA     10 GLN  HB3     3.10  
         HA     10 GLN  HG2     3.90 
         HA     10 GLN  HG3     3.60  
         HG2    10 GLN  HE21    4.00   
         HG3    10 GLN  HE21    4.00 
         HA     11 ALA  HN      3.60  
         HB2    11 ALA  HN      4.00  
         HB3    11 ALA  HN      4.00  
         HN     11 ALA  HN      3.30 
         HN     11 ALA  QB      5.40 
         O      14 TYR  N       3.00 
         O      14 TYR  HN      2.00 
 11 ALA  
         HN     11 ALA  QB      3.50 
         HN     12 GLN  HN      3.10  
         QB     12 GLN  HN      4.40 
         HA     14 TYR  HB3     3.00  
         O      15 GLU- N       3.00 
         O      15 GLU- HN      2.00 
 12 GLN  
         HN     12 GLN  HA      3.30   
         HN     12 GLN  HB2     3.30 
         HN     12 GLN  HG2     3.40 
         HN     12 GLN  HG3     3.60 
         HA     12 GLN  HB3     3.70   
         HA     12 GLN  HB2     3.90   
         HA     12 GLN  HG2     3.90  
         HN     13 VAL  HN      3.10 
         HA     13 VAL  HN      3.90 
         HB3    13 VAL  HN      3.60 
         HB2    13 VAL  HN      3.60 
         HA     15 GLU- HN      3.90 
         HB2    38 ILE  QD1     5.20 
         HE22   39 HIS+ HB3     5.00  
         HE22   39 HIS+ HB2     5.00  
         HE21   40 LEU  QD1     4.40  
         HE21   40 LEU  QD2     4.50 
         HE22   40 LEU  QD1     4.40  
         HE22   40 LEU  QD2     6.30 
         O      16 LEU  N       3.00 
         O      16 LEU  HN      2.00 
 13 VAL  
         HN     13 VAL  HA      3.10 
         HN     13 VAL  HB      2.90 
         HN     13 VAL  QG1     4.50 
         HN     13 VAL  QG2     3.80 
         HA     13 VAL  HB      3.00 
         HA     13 VAL  QG1     3.80 
         HA     13 VAL  QG2     3.80 
         HB     14 TYR  HN      3.10  
         QG1    14 TYR  HN      4.90 
         QG2    14 TYR  HN      4.60 
         HA     16 LEU  HN      3.50 
         HA     16 LEU  HB2     3.20 
         HA     16 LEU  HB3     3.80 
         HA     16 LEU  QD2     3.90 
         HA     17 GLU- HN      3.40 
         HA     48 TRP  HZ2     4.20 
         QG1    48 TRP  HE1     5.20 
         QG1    48 TRP  HZ2     4.30 
         QG2    48 TRP  HE1     5.10 
         O      17 GLU- N       3.00 
         O      17 GLU- HN      2.00 
 14 TYR  
         HN     14 TYR  HB2     3.10  
         HN     14 TYR  HB3     3.00 
         HN     14 TYR  QR      6.20 
         HA     14 TYR  HB2     2.90 
         HN     15 GLU- HN      3.20 
         HB2    15 GLU- HN      4.10 
         HB3    15 GLU- HN      3.80 
         HA     17 GLU- HB2     4.30 
         O      18 ARG+ N       3.00 
         O      18 ARG+ HN      2.00 
 15 GLU- 
         HN     15 GLU- HA      3.00  
         HN     15 GLU- HB2     3.10 
         HN     15 GLU- HB3     3.30 
         HN     15 GLU- HG2     3.30 
         HN     15 GLU- HG3     3.40 
         HA     15 GLU- HB2     3.10  
         HA     15 GLU- HB3     3.10 
         HA     15 GLU- HG2     3.60 
         HA     15 GLU- HG3     3.40 
         HN     16 LEU  HN      3.20 
         HA     16 LEU  HN      3.70  
         HB2    16 LEU  HN      3.90 
         HB3    16 LEU  HN      3.90 
         HG2    16 LEU  HN      4.40  
         HA     18 ARG+ HN      3.70  
         HA     18 ARG+ HB3     3.20 
         HA     18 ARG+ HB2     3.60 
         HA     18 ARG+ HD3     4.80 
         HA     19 ARG+ HN      5.10 
         HB2    38 ILE  QG2     4.90 
         HB2    38 ILE  QD1     4.90 
         HB3    38 ILE  QG2     4.90 
         HB3    38 ILE  QD1     5.10 
         O      19 ARG+ N       3.00 
         O      19 ARG+ HN      2.00 
 16 LEU  
         HN     16 LEU  HA      3.20  
         HN     16 LEU  HB2     3.10 
         HN     16 LEU  HB3     3.50 
         HN     16 LEU  HG      3.00 
         HN     16 LEU  QD1     4.90 
         HN     16 LEU  QD2     4.80 
         HA     16 LEU  HB3     3.10   
         HA     16 LEU  HB2     3.30 
         HA     16 LEU  HG      3.10 
         HA     16 LEU  QD1     3.70 
         HA     16 LEU  QD2     4.60 
         HB2    16 LEU  HG      3.30  
         HB3    16 LEU  HG      3.50  
         HN     17 GLU- HN      3.10 
         HA     17 GLU- HN      4.40 
         HB2    17 GLU- HN      3.10 
         HB3    17 GLU- HN      3.60 
         QD2    17 GLU- HN      5.00 
         HA     19 ARG+ HN      4.20 
         HA     19 ARG+ HB3     3.70 
         HA     19 ARG+ HB2     4.60 
         HA     34 LEU  QD1     5.60 
         QD1    34 LEU  QD2     4.80 
         HA     34 LEU  QD2     4.60 
         HN     38 ILE  QD1     5.40 
         HG     38 ILE  QD1     4.20 
         QD2    38 ILE  QD1     5.30  
         HG     40 LEU  QD2     4.90 
         HG     40 LEU  QD1     4.20 
         QD2    40 LEU  QD1     5.60 
         QD2    40 LEU  QD2     5.00 
         HB3    48 TRP  HZ3     4.80 
         HB3    48 TRP  HZ2     4.20 
         HB3    48 TRP  HH2     5.60 
         QD1    48 TRP  HE3     4.40 
         QD1    48 TRP  HB3     4.40 
         QD2    48 TRP  HD1     5.50 
         QD2    48 TRP  HE1     5.20 
         QD2    48 TRP  HZ2     5.40 
         QD1    49 PHE  HN      5.40  
         QD1    49 PHE  QR      5.30  
         HA     49 PHE  QR      6.80 
         O      20 PHE  N       3.00 
         O      20 PHE  HN      2.00 
 17 GLU- 
         HN     17 GLU- HA      3.10 
         HN     17 GLU- HB2     3.00 
         HN     17 GLU- HB3     3.40 
         HN     17 GLU- HG2     3.30 
         HN     17 GLU- HG3     3.50  
         HA     17 GLU- HB2     3.10 
         HN     18 ARG+ HN      3.10 
         HB3    18 ARG+ HN      3.30 
         HB2    18 ARG+ HN      3.30 
         HA     20 PHE  HN      3.40 
         HA     20 PHE  QB      4.30 
         HA     48 TRP  HZ2     3.70 
         HA     48 TRP  HH2     3.00 
         HB2    48 TRP  HZ2     4.60 
         HB3    48 TRP  HZ2     4.60 
         HB2    48 TRP  HH2     5.10 
         HG2    48 TRP  HZ2     3.40 
         HG2    48 TRP  HH2     4.40 
         HG3    48 TRP  HZ2     3.30 
         HG3    48 TRP  HH2     3.60 
         HN     48 TRP  HZ2     4.20 
         HN     48 TRP  HH2     4.50 
         O      21 LYS+ N       3.00 
         O      21 LYS+ HN      2.00 
 18 ARG+ 
         HN     18 ARG+ HB3     3.10 
         HN     18 ARG+ HB2     3.10 
         HB2    18 ARG+ HD3     3.40 
         HB3    18 ARG+ HD3     3.90 
         HB2    18 ARG+ HE      4.50 
         HB3    18 ARG+ HE      4.00 
         HG3    18 ARG+ HD2     4.30    
         HG2    18 ARG+ HD3     3.40     
         HG3    18 ARG+ HD3     4.60    
         HG3    18 ARG+ HE      3.90 
         HG2    18 ARG+ HE      4.10 
         HD3    18 ARG+ HE      3.20    
         HD2    18 ARG+ HE      3.10   
         HN     19 ARG+ HN      3.90 
         HA     19 ARG+ HN      3.60 
         HB2    19 ARG+ HN      4.20 
         HB3    19 ARG+ HN      3.40 
 19 ARG+ 
         HN     19 ARG+ HA      3.30 
         HN     19 ARG+ HB2     3.20 
         HN     19 ARG+ HB3     3.20 
         HN     19 ARG+ QG      4.70 
         HA     19 ARG+ HD2     3.10 
         HA     19 ARG+ HE      4.20  
         HB2    19 ARG+ HD2     3.90 
         HB2    19 ARG+ HD3     3.70 
         HB3    19 ARG+ HD2     3.70 
         HB3    19 ARG+ HD3     4.00 
         HE     19 ARG+ HD2     3.00  
         HE     19 ARG+ HD3     3.30  
         QG     19 ARG+ HE      4.40 
         HB2    20 PHE  HN      3.90 
         HB3    20 PHE  HN      3.40 
         HN     20 PHE  HN      3.20 
         HA     20 PHE  HN      4.00  
         HA     22 GLN  QB      4.50 
         HA     22 GLN  HG3     4.50  
         HA     49 PHE  HZ      5.80 
         HB2    49 PHE  HZ      3.60 
         HB3    49 PHE  HZ      3.30 
         QG     49 PHE  HZ      4.20 
         HD2    49 PHE  HZ      3.90 
         HB2    49 PHE  QR      8.60 
         HB3    49 PHE  QR      7.80 
 20 PHE  
         HN     20 PHE  HA      3.70 
         HN     20 PHE  QB      3.70 
         HN     20 PHE  QR      6.10 
         HN     21 LYS+ HN      3.30 
         HA     21 LYS+ HN      3.50 
         QB     21 LYS+ HN      4.10 
         HA     23 GLN  HN      4.00 
         QB     48 TRP  HZ3     3.90 
         QB     48 TRP  HZ2     4.40 
         QB     48 TRP  HH2     4.40 
         HN     48 TRP  HZ3     4.00 
         HN     48 TRP  HH2     5.40 
         QR     48 TRP  HZ3     5.60 
         QR     48 TRP  HH2     6.90 
         QR     49 PHE  HA      5.40  
         QR     49 PHE  QR      7.50 
         HN     49 PHE  HZ      4.10 
         HA     49 PHE  HZ      4.40 
         HA     49 PHE  QR      5.90 
         QB     49 PHE  QR      7.30 
         QR     52 HIS+ HB3     6.20 
         QR     53 ARG+ HA      5.80 
         HZ     53 ARG+ HA      3.20 
         HZ     56 MET  HG2     3.40 
         QR     56 MET  HG2     5.70 
 21 LYS+ 
         HN     21 LYS+ HA      2.90  
         HN     21 LYS+ QB      3.70 
         HN     21 LYS+ QG      4.60 
         HN     21 LYS+ QD      5.00 
         HN     22 GLN  HN      3.10 
         HA     22 GLN  HN      3.20 
         QB     22 GLN  HN      4.30 
 22 GLN  
         HN     22 GLN  HA      3.00  
         HN     22 GLN  QB      3.70 
         HN     22 GLN  HG2     3.30 
         HN     22 GLN  HG3     4.00 
         HA     22 GLN  QB      4.00 
         HE21   22 GLN  HG2     4.40  
         HE21   22 GLN  HG3     4.20  
         HN     23 GLN  HN      2.80 
         QB     23 GLN  HN      4.30 
         HA     23 GLN  HN      3.60 
 23 GLN  
         HN     23 GLN  HA      3.30   
         HN     23 GLN  HB2     3.80 
         HN     23 GLN  HB3     3.60 
         HN     23 GLN  QG      4.30 
         HA     23 GLN  HB2     3.30   
         HA     23 GLN  HB3     3.20  
         HB3    23 GLN  HE22    4.70  
         HN     24 LYS+ HN      4.70 
         HA     24 LYS+ HN      2.60 
         HB2    24 LYS+ HN      4.20 
         HB3    24 LYS+ HN      4.20 
         QG     24 LYS+ HN      4.80 
         HE22   27 SER  HN      5.20 
 24 LYS+ 
         HN     24 LYS+ HA      3.30  
         HN     24 LYS+ HB2     3.20 
         HN     24 LYS+ QG      4.30 
         HN     24 LYS+ HD3     3.40 
         HN     24 LYS+ HD2     6.30 
         HA     24 LYS+ HB3     3.10  
         HA     24 LYS+ HD2     3.90 
         HA     24 LYS+ HD3     3.60 
         HA     24 LYS+ QG      4.80 
         HB2    24 LYS+ HD3     3.10  
         HB3    24 LYS+ HD3     3.30  
         HE3    24 LYS+ HD2     4.50  
         HE3    24 LYS+ HD3     3.50  
         HE2    24 LYS+ HD3     3.30  
         HA     25 TYR  HN      4.30  
         HB2    25 TYR  HN      4.40 
         HD2    25 TYR  HN      4.40  
         HN     25 TYR  HN      3.20 
 25 TYR  
         HN     25 TYR  HA      4.60  
         HN     25 TYR  HB2     3.90 
         HN     25 TYR  HB3     4.40 
         HA     25 TYR  HB2     3.90 
         HA     25 TYR  HB3     3.40 
         HA     26 LEU  HN      3.30 
         HB2    26 LEU  HN      4.70 
         HB3    26 LEU  HN      3.90 
 26 LEU  
         HN     26 LEU  HA      3.30 
         HN     26 LEU  HB2     3.30 
         HN     26 LEU  HB3     3.70 
         HN     26 LEU  HG      3.50 
         HA     26 LEU  HB2     3.80  
         HA     26 LEU  HB3     3.10  
         HA     26 LEU  HG      3.90 
         HN     26 LEU  QD1     6.60 
         HN     26 LEU  QD2     5.60 
         HA     26 LEU  QD1     3.90 
         HA     26 LEU  QD2     5.20 
         HA     27 SER  HN      3.00 
         HB2    27 SER  HN      4.40  
         HB3    27 SER  HN      3.50 
         HG     27 SER  HN      4.30 
         QD1    27 SER  HN      5.10 
         HB2    31 ARG+ HN      4.60 
         QD2    31 ARG+ HN      5.20 
         QD2    31 ARG+ HB3     4.10 
         QD1    31 ARG+ HB3     4.10 
         QD2    31 ARG+ HA      4.00 
         QD2    34 LEU  QD1     5.20 
         QD2    34 LEU  QD2     5.10 
         QD2    38 ILE  QG2     6.00  
         QD1    45 VAL  QQG     6.00 
         QD2    49 PHE  HZ      4.80 
         QD2    49 PHE  QR      6.60 
 27 SER  
         HN     27 SER  HA      3.30 
         HN     27 SER  HB2     4.30 
         HN     27 SER  HB3     3.90 
         HA     27 SER  HB2     3.10 
         HA     27 SER  HB3     3.10 
         HA     28 ALA  HN      3.00 
         HB3    28 ALA  HN      4.30 
         HB2    29 PRO  QD      5.10 
         HN     29 PRO  HD2     5.70 
         HN     30 GLU- HN      4.60 
         HN     30 GLU- HB2     3.20 
         HN     30 GLU- HB3     3.70 
         HN     30 GLU- QG      5.50 
         OG     30 GLU- N       3.00 
         OG     30 GLU- HN      2.00 
         O      31 ARG+ N       3.00 
         O      31 ARG+ HN      2.00 
 28 ALA  
         HN     28 ALA  HA      3.30  
         HN     28 ALA  QB      3.70  
         HN     29 PRO  HD3     3.60 
         HA     31 ARG+ HN      4.00 
         O      32 GLU- N       3.00
         O      32 GLU- HN      2.00
 29 PRO  
         HA     29 PRO  HB2     3.10  
         HA     29 PRO  HG3     3.70  
         HA     30 GLU- HN      4.20  
         HB2    30 GLU- HN      3.50 
         HB3    30 GLU- HN      3.70 
         HG2    30 GLU- HN      5.00 
         HD2    30 GLU- HN      4.40 
         HD3    30 GLU- HN      4.70 
         HA     32 GLU- QB      4.20 
 30 GLU- 
         HN     30 GLU- HA      3.50   
         HN     30 GLU- HB2     3.20 
         HN     30 GLU- HB3     3.30 
         HN     30 GLU- QG      5.50 
         HA     30 GLU- HB3     3.20   
         HA     30 GLU- HB2     3.10 
         HB2    31 ARG+ HN      3.50 
         HN     31 ARG+ HN      3.20 
         QG     31 ARG+ HN      5.00 
         HA     33 HIS+ HN      3.50 
         O      34 LEU  N       3.00
         O      34 LEU  HN      2.00
 31 ARG+ 
         HN     31 ARG+ HA      3.30 
         HN     31 ARG+ HB2     3.20 
         HN     31 ARG+ HG2     3.60 
         HA     31 ARG+ HB2     3.50 
         HA     31 ARG+ HG2     3.30 
         HN     32 GLU- HN      3.20 
         HA     32 GLU- HN      3.60 
         HB2    32 GLU- HN      4.40 
         HB3    32 GLU- HN      3.80 
         HA     34 LEU  HN      3.60 
         HA     34 LEU  HB2     4.00 
 32 GLU- 
         HN     32 GLU- HA      3.10  
         HN     32 GLU- QG      4.20 
         HN     33 HIS+ HN      3.60  
         HA     33 HIS+ HN      3.70  
         QB     33 HIS+ HN      4.00 
         HA     35 ALA  HN      3.60 
         O      36 SER  N       3.00 
         O      36 SER  HN      2.00 
 33 HIS+ 
         HA     33 HIS+ HD2     4.40 
         HA     33 HIS+ QB      3.70 
         HA     36 SER  QB      3.70 
         O      37 MET  N       3.00 
         O      37 MET  HN      2.00 
 34 LEU  
         HN     34 LEU  HA      3.30   
         HN     34 LEU  HB2     3.20 
         HN     34 LEU  HB3     3.30 
         HN     34 LEU  HG      4.00 
         HN     34 LEU  QD1     5.50 
         HN     34 LEU  QD2     4.70 
         HA     34 LEU  HB2     3.00  
         HA     34 LEU  HB3     2.90  
         HA     34 LEU  QD1     3.90 
         HB3    34 LEU  QD2     4.20 
         HN     35 ALA  HN      3.30 
         HA     35 ALA  HN      4.50 
         HB3    35 ALA  HN      4.20 
         HA     37 MET  HB2     3.40  
         QD1    38 ILE  QD1     5.20 
         HG     38 ILE  QD1     4.10 
         O      38 ILE  N       3.00 
         O      38 ILE  HN      2.00 
 35 ALA  
         HN     35 ALA  HA      3.20   
         HN     35 ALA  QB      3.70 
         HN     36 SER  HN      3.20 
         HA     36 SER  HN      4.20 
         QB     36 SER  HN      3.90 
         HA     38 ILE  HN      4.20 
         HA     38 ILE  QD1     5.10 
         HA     40 LEU  HN      3.80 
         QB     42 PRO  QD      5.00 
         HN     45 VAL  QQG     5.60 
 36 SER  
         HN     36 SER  HA      2.80 
         HN     36 SER  QB      3.70 
         HA     36 SER  QB      3.70 
         HA     37 MET  HN      3.80 
         QB     37 MET  HN      4.10 
 37 MET  
         HN     37 MET  HA      3.00 
         HN     37 MET  HB2     3.40 
         HN     37 MET  HB3     2.80 
         HN     37 MET  QG      4.60 
         HN     38 ILE  HN      4.10 
         HA     38 ILE  HN      4.00 
         HB3    38 ILE  HN      3.30  
         QG     38 ILE  HN      4.50 
 38 ILE  
         HN     38 ILE  HA      3.20 
         HN     38 ILE  HB      3.80 
         HN     38 ILE  QG2     4.30 
         HN     38 ILE  HG13    3.90 
         HN     38 ILE  HG12    3.20 
         HN     38 ILE  QD1     4.80 
         HA     38 ILE  HB      2.80 
         HA     38 ILE  QG2     3.80  
         HA     38 ILE  QD1     5.00 
         HA     38 ILE  HG12    4.20 
         HN     39 HIS+ HN      2.80  
         HN     39 HIS+ HA      5.00  
         HA     39 HIS+ HD2     3.90  
         HA     39 HIS+ HN      3.80 
         HB     39 HIS+ HN      3.70   
         HB     40 LEU  QD2     5.50 
         QD1    40 LEU  QD2     5.00 
 39 HIS+ 
         HN     39 HIS+ HA      2.60 
         HA     39 HIS+ HB3     3.30 
         HA     39 HIS+ HB2     2.80 
         HB3    39 HIS+ HD2     4.20 
         HA     40 LEU  HN      3.00  
         HN     40 LEU  HN      3.10 
 40 LEU  
         HN     40 LEU  HB2     3.30 
         HA     40 LEU  HB3     3.50  
         HN     40 LEU  HG      4.00  
         HN     40 LEU  QD2     5.40 
         HA     40 LEU  HG      4.00  
         HB3    40 LEU  QD1     4.70 
         HB2    40 LEU  QD1     4.30 
         HB3    40 LEU  QD2     4.30 
         HB2    40 LEU  QD2     4.10 
         HB2    41 THR  HN      3.60 
         HB3    41 THR  HN      3.20 
         HN     41 THR  HN      4.70  
         HA     41 THR  HN      4.50  
         QD1    41 THR  HN      5.00 
         QD2    41 THR  HN      5.40 
         QD1    44 GLN  HB3     6.10 
         QD1    44 GLN  HE22    5.20 
         QD2    44 GLN  HB3     4.80 
         QD2    45 VAL  QQG     6.40 
 41 THR  
         HN     41 THR  QG2     4.00 
         HN     41 THR  HG1     4.10 
         HG1    41 THR  QG2     4.00 
         HA     42 PRO  QD      5.70 
         HG1    43 THR  HN      4.30 
         HN     44 GLN  HN      4.10 
         HN     44 GLN  HB3     3.70 
         HG1    44 GLN  HN      3.30 
         HG1    44 GLN  HB2     3.70 
         HG1    44 GLN  HB3     3.70 
         HN     45 VAL  HN      3.30  
         OG1    44 GLN  N       3.00 
         OG1    44 GLN  HN      2.00 
         O      45 VAL  N       3.00 
         O      45 VAL  HN      2.00 
 42 PRO  
         HA     43 THR  HN      3.30  
         HG2    43 THR  HN      3.80  
         HG3    43 THR  HN      3.60 
         QB     43 THR  HN      5.60 
         QD     43 THR  HN      4.50 
         O      46 LYS+ N       3.00 
         O      46 LYS+ HN      2.00 
 43 THR  
         HN     43 THR  HB      3.30 
         HN     43 THR  HA      3.30 
         HN     43 THR  QG2     4.50 
         HA     43 THR  QG2     3.60  
         HA     44 GLN  HN      3.60  
         HA     46 LYS+ HN      3.40  
         HA     47 ILE  HN      5.50  
         O      47 ILE  N       3.00 
         O      47 ILE  HN      2.00 
 44 GLN  
         HN     44 GLN  HB2     3.30 
         HN     44 GLN  HG3     3.20 
         HA     44 GLN  HB2     3.10 
         HA     44 GLN  HB3     3.10 
         HA     44 GLN  HG3     3.00 
         HB3    44 GLN  HG3     2.80 
         HG2    44 GLN  HE21    3.40 
         HG2    44 GLN  HE22    3.60 
         HG3    44 GLN  HE21    3.30 
         HG3    44 GLN  HE22    4.10  
         HN     45 VAL  HN      3.60 
         HA     45 VAL  HN      3.50 
         HB3    45 VAL  HN      3.60 
         HA     47 ILE  HN      4.10 
         HA     47 ILE  HB      3.50  
         O      48 TRP  N       3.00 
         O      48 TRP  HN      2.00 
 45 VAL  
         HN     45 VAL  HA      2.80  
         HN     45 VAL  HB      3.40  
         HN     45 VAL  QQG     4.70  
         HA     45 VAL  HB      3.30  
         HA     45 VAL  QQG     4.70  
         HN     46 LYS+ HN      3.30 
         HA     46 LYS+ HN      4.30   
         HB     46 LYS+ HN      3.30 
         QQG    46 LYS+ HN      5.70 
         QQG    49 PHE  HN      7.00 
         O      49 PHE  N       3.00 
         O      49 PHE  HN      2.00 
 46 LYS+ 
         HN     46 LYS+ HA      3.50 
         HN     46 LYS+ HB2     3.00 
         HN     46 LYS+ HB3     3.10  
         HN     46 LYS+ HG2     4.70 
         HN     46 LYS+ HG3     4.20 
         HN     46 LYS+ HE2     4.20 
         HN     46 LYS+ HE3     3.80 
         HA     46 LYS+ HG2     3.40 
         HB3    46 LYS+ HE2     3.40 
         HN     47 ILE  HN      3.90  
         HA     47 ILE  HN      4.30 
         HB2    47 ILE  HN      3.30 
         HG3    47 ILE  HN      4.80 
         HA     49 PHE  HB3     3.40 
         O      50 GLN  N       3.00 
         O      50 GLN  HN      2.00 
 47 ILE  
         HN     47 ILE  HA      3.20 
         HN     47 ILE  HB      2.80  
         HN     47 ILE  QG2     4.30 
         HN     47 ILE  HG12    2.90  
         HN     47 ILE  HG13    3.30 
         HN     47 ILE  QD1     4.80  
         HA     47 ILE  HG12    3.50  
         HA     47 ILE  QG2     3.80 
         HA     47 ILE  QD1     4.30  
         HB     47 ILE  HG13    3.30 
         HN     48 TRP  HN      3.30 
         HA     48 TRP  HN      4.20 
         HB     48 TRP  HN      3.00  
         HG13   48 TRP  HN      4.30 
         HA     50 GLN  HB2     3.30 
         HA     50 GLN  HB3     3.30  
         HA     51 ASN  HN      4.10 
         QG2    51 ASN  HN      5.20 
         QG2    51 ASN  HD21    3.80 
         QG2    51 ASN  HD22    4.40 
 48 TRP  
         HN     48 TRP  HA      3.20 
         HN     48 TRP  HB2     3.10 
         HN     48 TRP  HB3     3.00 
         HA     48 TRP  HB2     3.00 
         HA     48 TRP  HB3     3.30 
         HA     48 TRP  HD1     3.60 
         HB2    48 TRP  HD1     3.30 
         HB3    48 TRP  HE3     3.30 
         HB3    49 PHE  HN      3.30 
         HE3    49 PHE  HN      3.60 
         HE3    49 PHE  HA      2.80 
         HE3    49 PHE  QR      5.10 
         HB2    49 PHE  HN      4.00 
         HN     49 PHE  HN      3.20 
         HA     49 PHE  HN      3.50 
         HZ3    49 PHE  HA      3.50 
         HZ3    49 PHE  QR      6.20 
         HA     51 ASN  HN      3.70 
         HE1    52 HIS+ HE1     4.50 
         HZ2    52 HIS+ HD2     4.80  
 49 PHE  
         HN     49 PHE  HA      3.10 
         HN     49 PHE  HB2     3.20 
         HN     49 PHE  HB3     3.40 
         HN     49 PHE  QR      5.50 
         HA     49 PHE  HB3     3.80 
         HA     49 PHE  HB2     4.50   
         HN     50 GLN  HN      3.30 
         HB3    50 GLN  HN      3.80 
         HA     52 HIS+ HN      4.30 
 50 GLN  
         HN     50 GLN  HA      3.20 
         HN     50 GLN  HB2     3.20 
         HN     50 GLN  HB3     3.60  
         HN     50 GLN  HG2     4.00  
         HN     50 GLN  HG3     4.00  
         HA     50 GLN  HB3     3.00 
         HA     50 GLN  HB2     3.00 
         HA     50 GLN  QG      4.30 
         HA     53 ARG+ HN      4.60 
         HA     51 ASN  HN      3.60  
         HB2    51 ASN  HN      3.40 
         HB3    51 ASN  HN      3.30 
         HN     51 ASN  HN      3.40 
 51 ASN  
         HN     51 ASN  HA      3.50  
         HN     51 ASN  HB3     3.30 
         HN     51 ASN  HB2     3.00 
         HN     51 ASN  HD21    5.60 
         HN     51 ASN  HD22    4.40 
         HA     51 ASN  HB3     2.90 
         HA     51 ASN  HB2     3.20 
         HB3    51 ASN  HD21    3.40 
         HB2    51 ASN  HD21    2.90 
         HN     52 HIS+ HN      3.20 
         HB2    52 HIS+ HN      3.80 
         HA     54 TYR  HN      3.90 
         HA     54 TYR  HB2     3.50 
         HA     54 TYR  HB3     3.30 
         HA     55 LYS+ HN      5.00 
 52 HIS+ 
         HN     52 HIS+ HA      3.00 
         HN     52 HIS+ HB3     3.00   
         HN     52 HIS+ HB2     3.60   
         HA     52 HIS+ HD2     4.70 
         HB3    52 HIS+ HD2     3.60  
         HB2    52 HIS+ HD2     3.50  
         HA     53 ARG+ HN      4.10  
         HA     54 TYR  HN      4.50 
         HA     55 LYS+ HB2     3.70  
         HA     55 LYS+ HB3     3.60 
 53 ARG+ 
         HN     54 TYR  HN      3.40 
         HA     54 TYR  HN      3.90 
         HB2    54 TYR  HN      3.90 
         HA     56 MET  HN      4.50 
 54 TYR  
         HN     54 TYR  HA      3.10   
         HN     54 TYR  HB2     3.00 
         HN     54 TYR  HB3     3.10 
         HA     54 TYR  HB2     3.00 
         HA     54 TYR  HB3     3.20 
         HA     55 LYS+ HN      3.40 
         HB2    55 LYS+ HN      3.70 
         HB3    55 LYS+ HN      3.50 
         HA     57 LYS+ HB3     3.90 
         O      58 ARG+ N       3.00
         O      58 ARG+ HN      2.00
 55 LYS+ 
         HN     55 LYS+ HA      2.90 
         HN     55 LYS+ HB2     3.20 
         HN     55 LYS+ HB3     3.20 
         HN     55 LYS+ QG      5.50 
         HN     55 LYS+ QD      4.20 
         HA     55 LYS+ HB2     3.20 
         HA     55 LYS+ HB3     3.00  
         HA     56 MET  HN      3.50  
         HB2    56 MET  HN      3.70 
         HB3    56 MET  HN      3.60 
         HA     58 ARG+ HN      4.20 
         HA     58 ARG+ HB2     3.70  
         HA     58 ARG+ HB3     3.40 
         O      59 GLN  N       3.00 
         O      59 GLN  HN      2.00 
 56 MET  
         HN     56 MET  HA      3.20  
         HN     56 MET  HB2     3.20  
         HN     56 MET  HB3     3.10 
         HN     56 MET  HG2     3.30 
         HN     56 MET  HG3     3.30 
         HN     57 LYS+ HN      3.10 
         HA     57 LYS+ HN      3.50  
         HB2    57 LYS+ HN      4.10 
         HB3    57 LYS+ HN      4.10 
 57 LYS+ 
         HN     57 LYS+ HA      2.90   
         HN     57 LYS+ HB3     2.80 
         HN     57 LYS+ QG      4.90 
         HN     58 ARG+ HN      4.00  
 58 ARG+ 
         HN     58 ARG+ HB3     3.40  
         HN     58 ARG+ QG      4.70  
 59 GLN  
         HB2    61 ALA  HN      4.50  
         HB3    61 ALA  HN      5.20  
 61 LYS+ 
         HN     61 LYS+ HA      2.70  
         HN     61 LYS+ QB      3.90  
 62 ASP- 
         HN     62 ASP- HA      3.40 
         HN     62 ASP- HB2     3.30 
         HN     62 ASP- HB3     3.60 
         HA     62 ASP- HB2     3.20 
         HA     62 ASP- HB3     3.50 
         HA     63 LYS+ HN      3.20 
         HB2    63 LYS+ HN      4.80 
         HB3    63 LYS+ HN      4.80 
 63 LYS+ 
         HN     63 LYS+ HA      3.20  
         HN     63 LYS+ HB3     3.50 
 64 ALA  
         HN     64 ALA  HA      3.00 
         HN     64 ALA  QB      4.00 
 66 GLN  
         HN     66 GLN  HA      3.20 
         HA     67 GLN  HN      3.30 

From root  Tue Oct  3 07:22:39 1995
Received: by pdb.pdb.bnl.gov (950511.SGI.8.6.12.PATCH526/930416.SGI.AUTO)
	for bailey@pdb.pdb.bnl.gov id HAA02638; Tue, 3 Oct 1995 07:22:39 -0400
Date: Tue, 3 Oct 1995 07:22:39 -0400
From: root (Super-User)
Message-Id: <199510031122.HAA02638@pdb.pdb.bnl.gov>
To: bailey
Subject: from ftp: ttf1hd.lol
Status: Op

 0 MET  
         HA      1 ARG+ HN      2.90  
 1 ARG+ 
         HA      2 ARG+ HN      2.60  
 2 ARG+ 
         HA      3 LYS+ HN      2.50   
 3 LYS+ 
         HB3     4 ARG+ HN      2.00   
 4 ARG+ 
         HN      4 ARG+ HA      2.00  
         HN      4 ARG+ HB2     2.30 
         HA      5 ARG+ HN      2.30  
 5 ARG+ 
         HN      5 ARG+ HB3     3.60   
         HA      6 VAL  HN      1.80 
         HB2     6 VAL  HN      2.80  
 6 VAL 
         HN      6 VAL  HA      1.90 
         HN      6 VAL  HB      2.40  
         HA      6 VAL  HB      2.60  
         HA      7 LEU  HN      3.00  
 7 LEU  
         HN      7 LEU  HA      2.80  
         HA      8 PHE  HN      2.10  
 8 PHE  
         HN      8 PHE  HA      2.20  
         HN      8 PHE  HB2     2.60  
         HN      8 PHE  HB3     2.90  
         HA      8 PHE  HB3     2.20  
         HA      8 PHE  HB2     2.60  
         HA      9 SER  HN      2.20 
         HB2     9 SER  HN      3.00 
         HB3     9 SER  HN      2.60  
         HN      9 SER  HN      3.30 
  9 SER   
         HN      9 SER  HA      2.80 
         HN      9 SER  HB2     3.30  
         HN      9 SER  HB3     2.80   
         HA      9 SER  HB2     2.20  
         HA      9 SER  HB3     2.30
         HA     10 GLN  HN      2.30 
         HB2    10 GLN  HN      2.70  
         HB3    10 GLN  HN      3.40  
         HB2    11 ALA  HN      3.40  
         HN     12 GLN  HN      3.30 
         HN     12 GLN  HB2     2.50  
         HN     12 GLN  HB3     2.70  
         OG     12 GLN  N       2.70
         OG     12 GLN  HN      1.80
         O      13 VAL  N       2.70
         O      13 VAL  HN      1.80
 10 GLN 
         HN     10 GLN  HA      2.40 
         HN     10 GLN  HB2     2.30  
         HN     10 GLN  HB3     2.40 
         HN     10 GLN  HG2     3.10 
         HN     10 GLN  HG3     3.20 
         HA     10 GLN  HB3     2.30  
         HA     10 GLN  HB2     2.10    
         HA     10 GLN  HG2     3.10   
         HA     10 GLN  HG3     2.70    
         HG2    10 GLN  HE21    3.10   
         HG3    10 GLN  HE21    3.10  
         HN     11 ALA  HN      2.60  
         HA     11 ALA  HN      3.00  
         HB2    11 ALA  HN      2.00    
         HB3    11 ALA  HN      2.00   
         O      14 TYR  N       2.70
         O      14 TYR  HN      1.80
 11 ALA  
         HN     11 ALA  HA      2.20   
         HN     12 GLN  HN      2.50  
         HA     14 TYR  HB3     2.30  
         O      15 GLU- N       2.70
         O      15 GLU- HN      1.80
 12 GLN  
         HN     12 GLN  HA      2.60 
         HN     12 GLN  HB2     2.50 
         HN     12 GLN  HG2     2.60 
         HN     12 GLN  HG3     2.70 
         HA     12 GLN  HB3     2.80   
         HA     12 GLN  HB2     3.00   
         HA     12 GLN  HG2     3.00  
         HN     13 VAL  HN      2.50   
         HA     13 VAL  HN      3.10 
         HB2    13 VAL  HN      2.70  
         HB3    13 VAL  HN      2.70  
         HA     15 GLU- HN      3.10  
         HE22   39 HIS+ HB3     3.00  
         HE22   39 HIS+ HB2     3.00 
         O      16 LEU  N       2.70
         O      16 LEU  HN      1.80
 13 VAL  
         HN     13 VAL  HA      2.50  
         HN     13 VAL  HB      2.20 
         HA     13 VAL  HB      2.40  
         HA     14 TYR  HN      2.20    
         HB     14 TYR  HN      2.20   
         HA     16 LEU  HN      2.80 
         HA     16 LEU  HB2     2.50  
         HA     16 LEU  HB3     3.00 
         HA     17 GLU- HN      2.70  
         HA     48 TRP  HZ2     3.40   
         O      17 GLU- N       2.70
         O      17 GLU- HN      1.80
 14 TYR  
         HN     14 TYR  HB3     2.40  
         HN     14 TYR  HB2     2.20   
         HA     14 TYR  HB2     2.30  
         HN     15 GLU- HN      2.60   
         HA     15 GLU- HN      2.50   
         HB3    15 GLU- HN      2.60   
         HB2    15 GLU- HN      3.30 
         HA     17 GLU- HB2     3.10  
         O      18 ARG+ N       2.70
         O      18 ARG+ HN      1.80
 15 GLU- 
         HN     15 GLU- HA      2.40  
         HN     15 GLU- HB2     2.50   
         HN     15 GLU- HB3     2.70 
         HN     15 GLU- HG2     2.60  
         HN     15 GLU- HG3     2.70 
         HA     15 GLU- HB2     2.50  
         HA     15 GLU- HB3     2.50 
         HA     15 GLU- HG2     2.80 
         HA     15 GLU- HG3     2.60 
         HN     16 LEU  HN      2.60  
         HA     16 LEU  HN      3.10  
         HB2    16 LEU  HN      2.80
         HB3    16 LEU  HN      3.10   
         HG2    16 LEU  HN      3.60  
         HA     18 ARG+ HN      2.80  
         HA     18 ARG+ HB2     2.90  
         HA     18 ARG+ HB3     2.50   
         HA     18 ARG+ HD3     3.80  
         HA     19 ARG+ HN      4.10  
         O      19 ARG+ N       2.70
         O      19 ARG+ HN      1.80
 16 LEU  
         HN     16 LEU  HA      2.60  
         HN     16 LEU  HB2     2.10   
         HN     16 LEU  HB3     2.90 
         HN     16 LEU  HG      2.40 
         HA     16 LEU  HB3     2.50 
         HA     16 LEU  HB2     2.60  
         HA     16 LEU  HG      2.50  
         HB2    16 LEU  HG      2.60  
         HB3    16 LEU  HG      2.90  
         HN     17 GLU- HN      2.50  
         HA     17 GLU- HN      3.50 
         HB2    17 GLU- HN      2.50 
         HB3    17 GLU- HN      3.00  
         HA     19 ARG+ HN      3.40 
         HA     19 ARG+ HB3     3.00  
         HA     19 ARG+ HB2     3.80  
         HA     38 ILE  HG13    2.90 
         HB3    48 TRP  HZ2     3.40 
         HB3    48 TRP  HZ3     3.90  
         HB3    48 TRP  HH2     3.50   
         O      20 PHE  N       2.70
         O      20 PHE  HN      1.80
 17 GLU-
         HN     17 GLU- HA      2.50  
         HN     17 GLU- HB3     2.80 
         HN     17 GLU- HB2     2.40  
         HN     17 GLU- HG2     2.60  
         HN     17 GLU- HG3     2.50  
         HA     17 GLU- HB2     2.50 
         HN     18 ARG+ HN      2.50  
         HB2    18 ARG+ HN      2.60   
         HB3    18 ARG+ HN      2.60 
         HA     20 PHE  HN      2.70  
         HN     48 TRP  HZ2     3.30 
         HN     48 TRP  HH2     3.60 
         HA     48 TRP  HZ2     3.00   
         HB3    48 TRP  HZ2     3.60 
         HB2    48 TRP  HZ2     3.80 
         HG2    48 TRP  HZ2     2.60   
         HG3    48 TRP  HZ2     2.60  
         HB2    48 TRP  HH2     3.90 
         HG2    48 TRP  HH2     3.50  
         HG3    48 TRP  HH2     2.80  
         HA     48 TRP  HH2     2.40  
         O      21 LYS+ N       2.70
         O      21 LYS+ HN      1.80
 18 ARG+ 
         HN     18 ARG+ HA      2.40   
         HN     18 ARG+ HB3     2.50 
         HN     18 ARG+ HB2     2.50 
         HB2    18 ARG+ HD3     2.70    
         HB3    18 ARG+ HD2     3.10    
         HB2    18 ARG+ HE      3.70 
         HB3    18 ARG+ HE      3.20 
         HG3    18 ARG+ HD2     3.00  
         HG2    18 ARG+ HD3     2.80      
         HG3    18 ARG+ HD3     3.00     
         HG2    18 ARG+ HE      3.30   
         HG3    18 ARG+ HE      3.10  
         HD2    18 ARG+ HE      2.50  
         HD3    18 ARG+ HE      2.60   
         HN     19 ARG+ HN      2.20     
         HB3    19 ARG+ HN      2.80  
         HB2    19 ARG+ HN      3.40 
         HA     19 ARG+ HN      3.00   
 19 ARG+ 
         HN     19 ARG+ HA      2.60 
         HN     19 ARG+ HB3     2.50   
         HN     19 ARG+ HB2     2.50  
         HA     19 ARG+ HB3     2.50  
         HA     19 ARG+ HD2     2.50  
         HA     19 ARG+ HD3     2.20   
         HA     19 ARG+ HE      3.00   
         HB3    19 ARG+ HD2     3.00  
         HB2    19 ARG+ HD2     3.20   
         HB3    19 ARG+ HD3     3.20 
         HB2    19 ARG+ HD3     3.10 
         HE     19 ARG+ HD3     2.60  
         HE     19 ARG+ HD2     2.30  
         HN     20 PHE  HN      2.60   
         HA     20 PHE  HN      3.10  
         HB2    20 PHE  HN      3.30   
         HB3    20 PHE  HN      2.70  
         HA     22 GLN  HG3     3.30  
         HA     49 PHE  HZ      4.50 
         HB3    49 PHE  HZ      2.50    
         HB2    49 PHE  HZ      3.00  
         HD2    49 PHE  HZ      3.10 
 20 PHE  
         HN     20 PHE  HA      2.00 
         HA     20 PHE  HB2     2.20 
         HA     20 PHE  HB3     2.20 
         HN     21 LYS+ HN      2.70  
         HA     23 GLN  HN      3.30  
         HB2    21 LYS+ HN      2.30  
         HB3    21 LYS+ HN      2.30  
         HN     48 TRP  HH2     4.00  
         HN     48 TRP  HZ3     3.00  
         HN     49 PHE  HZ      3.30  
         HA     49 PHE  HZ      3.50 
         HZ     53 ARG+ HA      2.50 
 21 LYS+ 
         HN     21 LYS+ HA      2.00  
         HN     21 LYS+ HB2     2.10  
         HN     21 LYS+ HB3     2.10  
         HN     21 LYS+ HG2     3.00  
         HN     21 LYS+ HG3     3.00  
         HN     21 LYS+ HD2     3.30  
         HN     21 LYS+ HD3     3.30  
         HN     22 GLN  HN      2.50  
         HA     22 GLN  HN      2.60 
         HB2    22 GLN  HN      2.70 
         HB3    22 GLN  HN      2.70 
 22 GLN 
         HN     22 GLN  HA      2.40  
         HN     22 GLN  HB2     2.30 
         HN     22 GLN  HB3     2.30 
         HN     22 GLN  HG3     3.20  
         HN     22 GLN  HG2     2.70  
         HA     22 GLN  HB2     2.30 
         HA     22 GLN  HB3     2.30 
         HE21   22 GLN  HG2     3.60  
         HE21   22 GLN  HG3     3.40  
         HN     23 GLN  HN      2.20   
         HB2    23 GLN  HN      2.70   
         HB3    23 GLN  HN      2.70   
         HA     23 GLN  HN      2.90 
 23 GLN 
         HN     23 GLN  HA      2.60   
         HN     23 GLN  HB2     3.00  
         HN     23 GLN  HB3     2.70   
         HA     23 GLN  HB2     2.70  
         HA     23 GLN  HB3     2.60  
         HB3    23 GLN  HE22    3.80  
         HN     24 LYS+ HN      3.80   
         HA     24 LYS+ HN      2.00   
         HB2    24 LYS+ HN      3.40  
         HB3    24 LYS+ HN      3.40  
         HE22   27 SER  HN      4.20 
 24 LYS+ 
         HN     24 LYS+ HA      2.60  
         HN     24 LYS+ HB2     2.50  
         HN     24 LYS+ HD3     2.70  
         HN     24 LYS+ HD2     5.00    
         HA     24 LYS+ HB3     2.50  
         HA     24 LYS+ HD3     2.80  
         HA     24 LYS+ HD2     3.10   
         HB2    24 LYS+ HD3     2.50  
         HB3    24 LYS+ HD3     2.70 
         HE3    24 LYS+ HD2     3.00 
         HE2    24 LYS+ HD3     2.60  
         HE3    24 LYS+ HD3     2.70  
         HN     25 TYR  HN      2.60  
         HA     25 TYR  HN      3.40  
         HB2    25 TYR  HN      3.50   
         HD2    25 TYR  HN      3.20   
 25 TYR  
         HN     25 TYR  HA      2.00   
         HN     25 TYR  HB2     2.80    
         HN     25 TYR  HB3     3.20  
         HA     25 TYR  HB3     2.50   
         HA     25 TYR  HB2     2.80   
         HA     26 LEU  HN      2.50   
         HB2    26 LEU  HN      3.70  
         HB3    26 LEU  HN      3.10 
 26 LEU  
         HN     26 LEU  HA      2.70 
         HN     26 LEU  HB2     2.30  
         HN     26 LEU  HB3     3.00 
         HN     26 LEU  HG      2.70   
         HA     26 LEU  HB2     3.00  
         HA     26 LEU  HB3     2.50  
         HA     26 LEU  HG      2.00 
         HB2    26 LEU  HG      3.00  
         HA     27 SER  HN      2.40   
         HB2    27 SER  HN      3.50 
         HB3    27 SER  HN      2.80 
         HG     27 SER  HN      3.40   
         HB2    31 ARG+ HN      3.70  
 27 SER  
         HN     27 SER  HA      2.70    
         HN     27 SER  HB2     3.10  
         HN     27 SER  HB3     2.50   
         HA     27 SER  HB2     2.40 
         HA     27 SER  HB3     2.40 
         HA     28 ALA  HN      2.40 
         HB2    28 ALA  HN      2.40  
         HB3    28 ALA  HN      3.40  
         HN     29 PRO  HD2     4.50  
         HN     30 GLU- HB2     2.60  
         HN     30 GLU- HB3     2.50 
         HN     30 GLU- HN      3.60  
         OG     30 GLU- N       2.70
         OG     30 GLU- HN      1.80
         O      31 ARG+ N       2.70
         O      31 ARG+ HN      1.80
 28 ALA 
         HN     28 ALA  HA      2.40   
         HN     29 PRO  HD3     2.80   
         HA     31 ARG+ HN      2.90  
         O      32 GLU- N       2.70
         O      32 GLU- HN      1.80
 29 PRO 
         HA     29 PRO  HB2     2.40  
         HA     29 PRO  HB3     2.20  
         HA     29 PRO  HG3     2.90  
         HA     30 GLU- HN      3.30 
         HB2    30 GLU- HN      2.50   
         HB3    30 GLU- HN      2.90 
         HG2    30 GLU- HN      3.90  
         HD2    30 GLU- HN      2.70 
         HD3    30 GLU- HN      3.70  
         HA     31 ARG+ HN      4.20  
 30 GLU-
         HN     30 GLU- HA      2.80  
         HN     30 GLU- HB3     2.40    
         HN     30 GLU- HB2     2.20   
         HA     30 GLU- HB3     2.50   
         HA     30 GLU- HB2     2.40 
         HN     31 ARG+ HN      2.50  
         HA     31 ARG+ HN      3.10 
         HB2    31 ARG+ HN      2.80  
         HA     33 HIS+ HN      2.80  
         O      34 LEU  N       2.70
         O      34 LEU  HN      1.80
 31 ARG+ 
         HN     31 ARG+ HA      2.60 
         HN     31 ARG+ HB2     2.50  
         HN     31 ARG+ HB3     2.20  
         HN     31 ARG+ HG2     2.90 
         HN     31 ARG+ HG3     2.80  
         HA     31 ARG+ HB2     2.60   
         HA     31 ARG+ HG2     3.70   
         HA     31 ARG+ HG3     2.70   
         HN     32 GLU- HN      2.60   
         HA     32 GLU- HN      2.90 
         HB2    32 GLU- HN      3.50  
         HB3    32 GLU- HN      3.10  
         HA     34 LEU  HN      3.00  
         HA     34 LEU  HB2     3.00  
 32 GLU-
         HN     32 GLU- HA      2.50  
         HN     33 HIS+ HN      2.50  
         HA     33 HIS+ HN      3.10  
         HA     35 ALA  HN      2.80  
         O      36 SER  N       2.70
         O      36 SER  HN      1.80
 33 HIS+ 
         HA     33 HIS+ HD2     3.50  
         O      37 MET  N       2.70
         O      37 MET  HN      1.80
 34 LEU  
         HN     34 LEU  HA      2.60  
         HN     34 LEU  HB2     2.30  
         HN     34 LEU  HB3     2.40  
         HN     34 LEU  HG      2.50 
         HA     34 LEU  HB2     2.30  
         HA     34 LEU  HB3     2.20  
         HN     35 ALA  HN      2.60  
         HA     35 ALA  HN      3.60 
         HB3    35 ALA  HN      3.10 
         HA     38 SER  HB2     2.60  
         O      38 ILE  N       2.70
         O      38 ILE  HN      1.80
 35 ALA  
         HN     35 ALA  HA      2.60   
         HN     36 SER  HN      2.50 
         HA     36 SER  HN      3.30 
         HA     40 LEU  HN      3.00  
         HA     38 ILE  HN      3.60 
 36 SER  
         HN     36 SER  HA      2.30   
         HA     37 MET  HN      3.10   
 37 MET  
         HN     37 MET  HA      2.40 
         HN     37 MET  HB3     2.20     
         HN     37 MET  HB2     2.70 
         HN     38 ILE  HN      3.00   
         HA     38 ILE  HN      3.20 
         HB3    38 ILE  HN      2.60 
 38 ILE  
         HN     38 ILE  HA      2.50 
         HN     38 ILE  HB      2.50  
         HN     38 ILE  HG12    2.20   
         HN     38 ILE  HG13    2.90 
         HA     38 ILE  HB      2.20 
         HA     38 ILE  HG12    3.40 
         HN     39 HIS+ HN      2.10  
         HN     39 HIS+ HA      4.00 
         HA     39 HIS+ HN      3.10 
         HB     39 HIS+ HN      2.40  
         HA     39 HIS+ HD2     2.80 
 39 HIS+ 
         HN     39 HIS+ HA      2.10  
         HA     39 HIS+ HB3     2.50 
         HA     39 HIS+ HB2     2.20  
         HB3    39 HIS+ HD2     3.40 
         HN     40 LEU  HN      2.40  
         HA     40 LEU  HN      2.20  
 40 LEU  
         HN     40 LEU  HB2     2.60  
         HA     40 LEU  HB3     2.00 
         HN     40 LEU  HG      2.80 
         HA     40 LEU  HG      2.00 
         HN     41 THR  HN      3.50 
         HA     41 THR  HN      2.00  
         HB2    41 THR  HN      2.90   
         HB3    41 THR  HN      2.40  
 41 THR  
         HN     41 THR  HG1     3.30   
         HG1    43 THR  HN      3.40  
         HN     44 GLN  HN      3.30  
         HN     44 GLN  HB3     3.00 
         HG1    44 GLN  HN      2.00    
         HG1    44 GLN  HB2     2.00  
         HG1    44 GLN  HB3     2.00  
         OG1    44 GLN  N       2.70
         OG1    44 GLN  HN      1.80
         O      45 VAL  N       2.70
         O      45 VAL  HN      1.80
 42 PRO 
         HG2    43 THR  HN      3.10 
         HG3    43 THR  HN      2.60 
         HA     43 THR  HN      2.60  
 43 THR  
         HN     43 THR  HA      2.70 
         HN     43 THR  HB      2.70 
         HA     44 GLN  HN      2.60 
         HA     46 LYS+ HN      2.70  
         HA     47 ILE  HN      3.60 
 44 GLN  
         HN     44 GLN  HB2     2.50 
         HN     44 GLN  HG3     2.50 
         HA     44 GLN  HB3     2.30 
         HA     44 GLN  HB2     2.30 
         HA     44 GLN  HG3     2.30 
         HB3    44 GLN  HG3     2.10 
         HG2    44 GLN  HE21    2.80 
         HG3    44 GLN  HE21    2.90 
         HG2    44 GLN  HE22    2.60 
         HG3    44 GLN  HE22    2.50 
         HN     45 VAL  HN      2.70   
         HA     45 VAL  HN      2.80 
         HB3    45 VAL  HN      2.60  
         HA     47 ILE  HN      3.30 
         HA     47 ILE  HB      2.20    
 45 VAL  
         HN     45 VAL  HA      2.20   
         HN     45 VAL  HB      2.40 
         HA     45 VAL  HB      2.60    
         HN     46 LYS+ HN      2.60   
         HA     46 LYS+ HN      3.50   
         HB     46 LYS+ HN      2.50  
 46 LYS+ 
         HN     46 LYS+ HA      2.70 
         HN     46 LYS+ HB3     2.30   
         HN     46 LYS+ HB2     2.40  
         HN     46 LYS+ HG2     3.70 
         HN     46 LYS+ HG3     3.30 
         HN     46 LYS+ HE2     3.30 
         HN     46 LYS+ HE3     3.00 
         HA     46 LYS+ HG2     2.80 
         HB3    46 LYS+ HE2     2.70 
         HN     47 ILE  HN      2.50     
         HA     47 ILE  HN      3.40   
         HB2    47 ILE  HN      2.60   
         HG3    47 ILE  HN      3.80   
         HA     49 PHE  HB3     2.70 
 47 ILE  
         HN     47 ILE  HA      2.60 
         HN     47 ILE  HB      2.20   
         HN     47 ILE  HG12    2.30 
         HN     47 ILE  HG13    2.60   
         HA     47 ILE  HG12    2.80   
         HB     47 ILE  HG13    2.60 
         HN     48 TRP  HN      2.60  
         HB     48 TRP  HN      2.20  
         HA     48 TRP  HN      3.40  
         HG13   48 TRP  HN      3.50 
         HA     50 GLN  HB3     2.60   
         HA     50 GLN  HB2     2.60 
         HA     51 ASN  HN      3.30  
 48 TRP  
         HN     48 TRP  HA      2.50  
         HN     48 TRP  HB2     2.50 
         HN     48 TRP  HB3     2.40 
         HA     48 TRP  HB2     2.30   
         HA     48 TRP  HB3     2.60 
         HA     48 TRP  HD1     2.90 
         HB2    48 TRP  HD1     2.60 
         HB3    48 TRP  HE3     2.60 
         HN     49 PHE  HN      2.60   
         HA     49 PHE  HN      2.80  
         HB2    49 PHE  HN      3.20  
         HB3    49 PHE  HN      2.60  
         HE3    49 PHE  HA      2.20   
         HE3    49 PHE  HN      2.80  
         HZ3    49 PHE  HA      2.80  
         HA     51 ASN  HN      3.10   
         HZ2    52 HIS+ HD2     3.60 
         HE1    52 HIS+ HE1     3.50  
 49 PHE  
         HN     49 PHE  HA      2.40 
         HN     49 PHE  HB3     2.70   
         HN     49 PHE  HB2     2.10  
         HA     49 PHE  HB3     2.40  
         HA     49 PHE  HB2     2.10   
         HN     50 GLN  HN      2.60  
         HB3    50 GLN  HN      3.00  
         HA     52 HIS+ HN      3.10   
 50 GLN  
         HN     50 GLN  HA      2.60 
         HN     50 GLN  HB3     2.60 
         HN     50 GLN  HB2     2.40 
         HN     50 GLN  HG3     2.60 
         HN     50 GLN  HG2     2.80 
         HA     50 GLN  HB3     2.40 
         HA     50 GLN  HB2     2.10 
         HN     51 ASN  HN      2.60   
         HA     51 ASN  HN      3.00 
         HB3    51 ASN  HN      2.70  
         HB2    51 ASN  HN      2.80   
         HA     53 ARG+ HN      3.70  
 51 ASN  
         HN     51 ASN  HA      2.20 
         HN     51 ASN  HB2     2.30   
         HN     51 ASN  HB3     2.60 
         HN     51 ASN  HD22    3.50  
         HN     51 ASN  HD21    4.40 
         HA     51 ASN  HB2     2.50   
         HA     51 ASN  HB3     2.30 
         HB2    51 ASN  HD21    2.30 
         HB3    51 ASN  HD21    2.60  
         HN     52 HIS+ HN      2.60  
         HB2    52 HIS+ HN      3.00   
         HA     54 TYR  HN      3.10   
         HA     54 TYR  HB2     2.80 
         HA     54 TYR  HB3     2.60 
         HA     55 LYS+ HN      4.00 
 52 HIS+ 
         HN     52 HIS+ HA      2.40 
         HN     52 HIS+ HB3     2.40   
         HN     52 HIS+ HB2     2.90   
         HA     52 HIS+ HD2     3.60 
         HB3    52 HIS+ HD2     2.80  
         HB2    52 HIS+ HD2     2.70 
         HA     53 ARG+ HN      3.30  
         HA     54 TYR  HN      3.50  
         HA     55 LYS+ HB3     3.00  
         HA     55 LYS+ HB2     3.10 
 53 ARG+ 
         HN     54 TYR  HN      2.70  
         HA     54 TYR  HN      3.10 
         HB2    54 TYR  HN      2.90  
         HA     56 MET  HN      3.50 
 54 TYR 
         HN     54 TYR  HA      2.50 
         HN     54 TYR  HB2     2.20 
         HN     54 TYR  HB3     2.40  
         HA     54 TYR  HB2     2.30 
         HA     54 TYR  HB3     2.40 
         HA     55 LYS+ HN      2.60  
         HB2    55 LYS+ HN      3.00  
         HB3    55 LYS+ HN      2.80 
         HA     57 LYS+ HB3     3.00 
 55 LYS+ 
         HN     55 LYS+ HA      2.30  
         HN     55 LYS+ HB2     2.60 
         HN     55 LYS+ HB3     2.60 
         HA     55 LYS+ HB2     2.50 
         HA     55 LYS+ HB3     2.40  
         HB3    56 MET  HN      2.90 
         HB2    56 MET  HN      3.00 
         HA     56 MET  HN      2.60  
         HA     58 ARG+ HN      3.30  
         HA     58 ARG+ HB2     3.00 
         HA     58 ARG+ HB3     2.90 
 56 MET  
         HN     56 MET  HA      2.50 
         HN     56 MET  HB2     2.50 
         HN     56 MET  HB3     2.30 
         HN     56 MET  HG2     2.50 
         HN     56 MET  HG3     2.50 
         HN     57 LYS+ HN      2.50 
         HA     57 LYS+ HN      2.50 
         HB2    57 LYS+ HN      3.20 
         HB3    57 LYS+ HN      3.20 
 57 LYS+
         HN     57 LYS+ HA      2.30  
         HN     57 LYS+ HB3     2.10  
         HN     58 ARG+ HN      2.50   
 58 ARG+ 
         HN     58 ARG+ HA      2.10  
         HN     58 ARG+ HB3     2.60  
 59 GLN 
         HB2    60 ALA  HN      3.00   
         HB3    60 ALA  HN      3.40   
 61 LYS+ 
         HN     61 LYS+ HA      2.10 
 62 ASP- 
         HN     62 ASP- HA      2.70  
         HN     62 ASP- HB2     2.60  
         HN     62 ASP- HB3     2.90 
         HA     62 ASP- HB3     2.80  
         HA     62 ASP- HB2     2.60 
         HA     63 LYS+ HN      2.80 
         HB2    63 LYS+ HN      3.00   
         HB3    63 LYS+ HN      3.00  
 63 LYS+ 
         HN     63 LYS+ HA      2.10   
         HN     63 LYS+ HB2     2.70  
 64 ALA  
         HN     64 ALA  HA      2.50  
 66 GLN 
         HN     66 GLN  HA      2.50 
         HA     67 GLN  HN      2.80 

From root  Tue Oct  3 07:22:24 1995
Received: by pdb.pdb.bnl.gov (950511.SGI.8.6.12.PATCH526/930416.SGI.AUTO)
	for bailey@pdb.pdb.bnl.gov id HAA02455; Tue, 3 Oct 1995 07:22:24 -0400
Date: Tue, 3 Oct 1995 07:22:24 -0400
From: root (Super-User)
Message-Id: <199510031122.HAA02455@pdb.pdb.bnl.gov>
To: bailey
Subject: from ftp: ttf1hd.aco
Status: Op

  10 GLN   PHI     -90.0   -30.0
  10 GLN   PSI     -70.0   -10.0
  11 ALA   PHI     -90.0   -30.0
  11 ALA   PSI     -70.0   -10.0
  12 GLN   PHI     -90.0   -30.0
  12 GLN   PSI     -70.0   -10.0
  13 VAL   PHI     -90.0   -30.0
  13 VAL   PSI     -70.0   -10.0
  14 TYR   PHI     -90.0   -30.0
  14 TYR   PSI     -70.0   -10.0
  15 GLU-  PHI     -90.0   -30.0
  15 GLU-  PSI     -70.0   -10.0
  16 LEU   PHI     -90.0   -30.0
  16 LEU   PSI     -70.0   -10.0
  17 GLU-  PHI     -90.0   -30.0
  17 GLU-  PSI     -70.0   -10.0
  18 ARG+  PHI     -90.0   -30.0
  18 ARG+  PSI     -70.0   -10.0
  19 ARG+  PHI     -90.0   -30.0
  19 ARG+  PSI     -70.0   -10.0
  20 PHE   PHI     -90.0   -30.0
  20 PHE   PSI     -70.0   -10.0 
  21 LYS+  PHI     -90.0   -30.0
  21 LYS+  PSI     -70.0   -10.0
  22 GLN   PHI    -100.0   -40.0 
  22 GLN   PSI     -70.0   -10.0
  28 ALA   PHI     -90.0   -30.0
  28 ALA   PSI     -70.0   -10.0
  29 PRO   PSI     -70.0   -10.0
  30 GLU-  PHI     -90.0   -10.0
  30 GLU-  PSI     -70.0   -10.0
  31 ARG+  PHI     -90.0   -30.0
  31 ARG+  PSI     -70.0   -10.0
  32 GLU-  PHI     -90.0   -30.0
  32 GLU-  PSI     -70.0   -10.0
  33 HIS+  PHI     -90.0   -30.0
  33 HIS+  PSI     -70.0   -10.0
  34 LEU   PHI     -90.0   -30.0
  34 LEU   PSI     -70.0   -10.0
  35 ALA   PHI     -90.0   -30.0
  35 ALA   PSI     -70.0   -10.0
  36 SER   PHI     -90.0   -30.0
  36 SER   PSI    -100.0    20.0
  37 MET   PHI     -90.0   -30.0
  37 MET   PSI     -70.0   -10.0
  38 ILE   PHI    -150.0   -90.0 
  44 GLN   PSI     -70.0   -10.0
  45 VAL   PHI     -90.0   -30.0
  45 VAL   PSI     -70.0   -10.0
  46 LYS+  PHI     -90.0   -30.0
  46 LYS+  PSI     -70.0   -10.0
  47 ILE   PHI     -90.0   -30.0
  47 ILE   PSI     -70.0   -10.0
  48 TRP   PHI     -90.0   -30.0
  48 TRP   PSI     -70.0   -10.0
  49 PHE   PHI     -90.0   -30.0
  49 PHE   PSI     -70.0   -10.0
  50 GLN   PHI     -90.0   -30.0
  50 GLN   PSI     -70.0   -10.0
  51 ASN   PHI     -90.0   -30.0
  51 ASN   PSI     -70.0   -10.0
  52 HIS+  PHI     -90.0   -30.0
  52 HIS+  PSI     -70.0   -10.0
  53 ARG+  PHI     -90.0   -30.0
  53 ARG+  PSI     -70.0   -10.0
  54 TYR   PHI     -90.0   -30.0
  54 TYR   PSI     -70.0   -10.0
  55 LYS+  PHI     -90.0   -30.0
  55 LYS+  PSI     -70.0   -10.0
   6 VAL   CHI1    150.0   210.0 
   8 PHE   CHI1    -90.0   -30.0
   9 SER   CHI1     30.0    90.0 
  10 GLN   CHI1    -90.0   -30.0 
  12 GLN   CHI1    -90.0   -30.0 
  13 VAL   CHI1    150.0   210.0 
  14 TYR   CHI1    150.0   210.0 
  16 LEU   CHI1    -90.0   -30.0 
  17 GLU-  CHI1    -90.0   -30.0 
  18 ARG+  CHI1    150.0   210.0 
  19 ARG+  CHI1    150.0   210.0  
  25 TYR   CHI1    -90.0   -30.0 
  26 LEU   CHI1    -90.0   -30.0 
  27 SER   CHI1     30.0    90.0 
  34 LEU   CHI1    -90.0   210.0  
  36 SER   CHI1    150.0   210.0 
  38 ILE   CHI1     30.0    90.0 
  39 HIS+  CHI1    -90.0   -30.0 
  40 LEU   CHI1    -90.0   -30.0 
  43 THR   CHI1    -90.0   -30.0 
  45 VAL   CHI1    150.0   210.0 
  46 LYS+  CHI1    150.0   210.0 
  47 ILE   CHI1    -90.0   -30.0  
  48 TRP   CHI1    150.0   210.0 
  49 PHE   CHI1    -90.0   -30.0  
  50 GLN   CHI1    150.0   210.0 
  51 ASN   CHI1    -90.0   -30.0 
  52 HIS+  CHI1    -90.0   -30.0 
  54 TYR   CHI1    150.0   210.0  
  55 LYS+  CHI1    150.0   210.0 
  62 ASP   CHI1    -90.0   -30.0