*HEADER    ELECTRON TRANSPORT                      10-JUN-99   1QQ3              
*TITLE     THE SOLUTION STRUCTURE OF THE HEME BINDING VARIANT ARG98CYS           
*TITLE    2 OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B562;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PCEB562                                   
*KEYWDS    FOUR HELIX BUNDLE, HEMOPROTEIN, ELECTRON TRANSPORT                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    F.ARNESANO, L.BANCI, I.BERTINI, S.CIOFI-BAFFONI, P.D.BARKER,          
*AUTHOR   2 T.WOODYEAR                                                           
*REVDAT   1   24-MAY-00 1QQ3    0                                                
Experimental NOE intensity


An asterisk indicates the intensity of peaks corresponding to two or 
more protons with degenerate chemical shifts, which are divided by the 
number of degenerate protons. Upper distance limits (?) are also given. 
The heme group is called LHEM 137.




1 ALA  
HA      1 ALA  QB      3.50 42100.0  
HA      2 ASP- HN      3.20 76760.0  
HA      2 ASP- HB2     5.70  2355.0  
QB      2 ASP- HN      3.90 72060.0  
QB      2 ASP- HA      5.50  9165.0  
QB      5 ASP- HB3     7.00 11150.0  
QB      6 ASN  HN      7.00  8375.0  
QB      6 ASN  HA      7.00  4600.0  
  2 ASP- 
HN      2 ASP- HA      3.70 29220.0  
HN      2 ASP- HB2     4.10 15530.0  
HN      2 ASP- HB3     4.10 16180.0  
HN      3 LEU  HN      4.00 19360.0  
HN      5 ASP- HN      4.90 18100.0  
HN      5 ASP- HB2     4.80 19820.0  
HN      5 ASP- HB3     5.30 10780.0  
HN      6 ASN  HN      5.70  6983.0  
HA      2 ASP- HB2     4.00 19160.0  
HA      2 ASP- HB3     4.00 20300.0  
HA      3 LEU  HN      3.70 31050.0  
HA      3 LEU  HB2     5.20  4040.0  
HA      3 LEU  HB3     5.10  4640.0  
HA      4 GLU- HN      6.00  2594.0  
HA      5 ASP- HN      6.00  1895.0  
HA      5 ASP- HB3     6.00  4641.0  
HB2     3 LEU  HN      4.20 15190.0  
HB2     3 LEU  HA      6.00  1103.0  
HB2     4 GLU- HN      6.00  4595.0  
HB2     5 ASP- HA      5.00 16330.0  
HB3     3 LEU  HN      4.10 16850.0  
HB3     3 LEU  HA      5.20  3727.0  
HB3     3 LEU  HB2     6.00      .0  
HB3     3 LEU  HB3     6.00  3464.0  
HB3     4 GLU- HN      5.10 13840.0  
HB3     5 ASP- HN      6.00  5006.0  
  3 LEU  
HN      3 LEU  HA      3.30 58350.0  
HN      3 LEU  HB2     3.20 70340.0  
HN      3 LEU  HB3     3.20 80070.0  
HN      3 LEU  HG      4.70  9190.0  
HN      3 LEU  QD1     5.60 11280.0  
HN      4 GLU- HN      3.80 27910.0  
HN      4 GLU- HA      5.50  2894.0  
HN      4 GLU- HB2     5.30  3355.0  
HN      5 ASP- HN      6.00  4418.0  
HN     43 ALA  QB      7.00 22560.0  
HA      3 LEU  HB2     3.20 82010.0  
HA      3 LEU  HB3     3.50 47230.0  
HA      3 LEU  HG      3.90 30150.0  
HA      3 LEU  QD1     5.80  9075.0  
HA      4 GLU- HN      4.00 18990.0  
HA      5 ASP- HN      6.00  3431.0  
HA      6 ASN  HN      4.80 21650.0  
HA      6 ASN  HA      6.00  4219.0  
HA      6 ASN  HB2     5.00 16750.0  
HA      6 ASN  HB3     5.60  7891.0  
HA      6 ASN  HD22    6.00 24680.0  
HA     40 ALA  HA      6.00      .0  
HA     40 ALA  QB      7.00 24860.0  
HA     43 ALA  QB      7.00 19960.0  
HB2     3 LEU  HG      3.30 74430.0  
HB2     3 LEU  QD1     4.80 26920.0  
HB2   137 LHEM HBP64   6.00 16590.0  
HB3     3 LEU  HG      4.10 22340.0  
HB3     3 LEU  QD1     3.90 93840.0  
HB3     3 LEU  QD2     6.00  7453.0  
HB3     4 GLU- HA      5.00  5174.0  
HB3     4 GLU- HB3     6.00  6785.0  
HB3     6 ASN  HN      6.00  5515.0  
HB3    61 PHE  CZ      8.00   491.5*2
HG      3 LEU  QD1     4.20 61540.0  
HG      4 GLU- HN      6.00 26410.0  
HG     61 PHE  CZ      8.00 12285.0*2
HG    137 LHEM QM5     6.90 31500.0  
HG    137 LHEM HBP64   5.00 96360.0  
QD1     4 GLU- HN      7.00  7071.0  
QD1    40 ALA  HN      7.00  7909.0  
QD1    40 ALA  QB      6.30 17100.0  
QD1    43 ALA  QB      6.40 08400.0  
QD1    45 PRO  HA      6.70 37250.0  
QD1    46 PRO  HD3     7.00 27860.0  
QD1    61 PHE  CZ      9.00 17225.0*2
QD1    65 PHE  CG      9.00      .0*2
QD1   137 LHEM QM5     4.50 61600.0  
QD1   137 LHEM HBP64   5.20 25300.0  
QD2    45 PRO  HA      7.00  8168.0  
QD2    45 PRO  HB2     6.40 45300.0  
QD2    45 PRO  QG      8.00 28355.0*2
QD2    61 PHE  CZ      9.00  3557.0*2
QD2   137 LHEM QM5     7.00 19010.0  
  4 GLU- 
HN      4 GLU- HA      3.30 60830.0  
HN      4 GLU- HB2     3.10 98650.0  
HN      4 GLU- HB3     3.80 27220.0  
HN      4 GLU- QG      5.00 24020.0*2
HN      5 ASP- HN      3.40 52610.0  
HN      5 ASP- HB2     4.60  8665.0  
HN      5 ASP- HB3     6.00   998.0  
HN    137 LHEM HBP74   6.00  3111.0  
HA      4 GLU- HB2     3.30 57480.0  
HA      4 GLU- HB3     3.90 23460.0  
HA      4 GLU- QG      5.00 13975.0*2
HA      5 ASP- HN      4.10 17940.0  
HA      5 ASP- HA      6.00  1266.0  
HA      6 ASN  HN      6.00  4074.0  
HA      7 MET  HN      5.20 11930.0  
HA      7 MET  QB      6.20 12415.0*2
HA    137 LHEM HBP73   6.00 29940.0  
HA    137 LHEM HBP64   6.00 10890.0  
HB2     4 GLU- QG      4.00 45650.0*2
HB2     5 ASP- HN      3.60 37850.0  
HB2     6 ASN  HN      6.00  2139.0  
HB2   137 LHEM HBP64   6.00 27410.0  
HB3     5 ASP- HN      4.20 14650.0  
QG      5 ASP- HN      7.00 13205.0*2
  5 ASP- 
HN      5 ASP- HA      3.40 53000.0  
HN      5 ASP- HB2     3.40 50260.0  
HN      5 ASP- HB3     3.40 50380.0  
HN      6 ASN  HN      3.30 62300.0  
HN      6 ASN  HA      5.30  3554.0  
HN      6 ASN  HB2     5.60  2582.0  
HN      7 MET  HN      6.00   800.0  
HA      5 ASP- HB2     3.50 45740.0  
HA      5 ASP- HB3     3.50 41280.0  
HA      6 ASN  HN      4.30 12560.0  
HA      8 GLU- HN      5.40 10250.0  
HA      8 GLU- QB      5.40 32305.0*2
HA      8 GLU- HG2     6.00  3971.0  
HA      8 GLU- HG3     6.00      .0  
HA      9 THR  HN      6.00  5285.0  
HB2     6 ASN  HN      3.60 36090.0  
HB3     6 ASN  HN      3.90 22940.0  
HB3     6 ASN  HA      5.00  4998.0  
  6 ASN  
HN      6 ASN  HA      3.40 47710.0  
HN      6 ASN  HB2     3.30 61960.0  
HN      6 ASN  HB3     3.60 35340.0  
HN      6 ASN  HD22    4.40 14500.0  
HN      7 MET  HN      3.60 33810.0  
HN      8 GLU- HN      4.90 18960.0  
HN      9 THR  HN      6.00  1869.0  
HN      9 THR  HB      5.90  5968.0  
HN     10 LEU  HG      6.00  2473.0  
HN     40 ALA  QB      7.00 12490.0  
HA      6 ASN  HB2     3.40 50990.0  
HA      6 ASN  HB3     3.20 72890.0  
HA      6 ASN  HD22    4.10 20620.0  
HA      7 MET  HN      6.00  1660.0  
HA      7 MET  HA      5.10  4440.0  
HA      8 GLU- HN      6.00  4474.0  
HA      9 THR  HN      4.60 25760.0  
HA      9 THR  HA      5.40  9940.0  
HA      9 THR  HB      3.90 77290.0  
HA      9 THR  QG2     7.00 22390.0  
HA     10 LEU  HN      5.10 13590.0  
HA     10 LEU  QD2     7.00  1462.0  
HA     36 ALA  HA      5.10  4691.0  
HA     36 ALA  QB      6.20 53800.0  
HA     40 ALA  QB      7.00 11150.0  
HB2     6 ASN  HD22    3.60 45400.0  
HB2    10 LEU  HG      6.00 17120.0  
HB2    36 ALA  QB      7.00  2484.0  
HB2    40 ALA  HN      6.00  8564.0  
HB2    40 ALA  QB      5.80 75090.0  
HB3     6 ASN  HD22    3.70 36060.0  
HB3    36 ALA  QB      6.50 40770.0  
HB3    40 ALA  HN      6.00  8587.0  
HB3    40 ALA  QB      6.70 36290.0  
HD22   39 ASP- HB2     6.00      .0  
HD22   40 ALA  HN      6.00  3536.0  
  7 MET  
HN      7 MET  HA      4.30 12600.0  
HN      7 MET  QB      4.50 24325.0*2
HN      8 GLU- HN      3.60 37850.0  
HN      8 GLU- QB      7.00  1610.0*2
HN      8 GLU- HG3     6.00  8960.0  
HN     40 ALA  QB      7.00  4050.0  
HA      7 MET  QB      5.40 10690.0*2
HA     10 LEU  HN      5.70  7200.0  
QB      8 GLU- HN      5.10 16170.0*2
QB    137 LHEM HBP73   7.00  4320.0*2
QB    137 LHEM HBP74   7.00  4660.0*2
  8 GLU- 
HN      8 GLU- HA      3.80 28480.0  
HN      8 GLU- QB      3.70 93300.0*2
HN      8 GLU- HG2     4.00 24340.0  
HN      8 GLU- HG3     3.80 31460.0  
HN      9 THR  HN      3.40 56180.0  
HN      9 THR  HB      5.50  2944.0  
HN     10 LEU  HN      5.80  6545.0  
HN    137 LHEM QM8     7.00 27300.0  
HA      8 GLU- QB      4.40 55900.0*2
HA      8 GLU- HG2     4.60 11000.0  
HA      8 GLU- HG3     4.10 20710.0  
HA      9 THR  HN      4.20 13940.0  
HA     10 LEU  HN      6.00  3010.0  
HA     11 ASN  HN      5.10 13320.0  
HA     11 ASN  HB3     4.50 31150.0  
HA     12 ASP- HN      5.00 15940.0  
HA    137 LHEM QM8     6.00 64350.0  
QB      8 GLU- HG2     4.60 48465.0*2
QB      8 GLU- HG3     3.90 74600.0*2
QB      9 THR  HN      4.70 31920.0*2
QB     10 LEU  HN      7.00  2323.0*2
QB     12 ASP- HN      7.00  4329.5*2
HG2     9 THR  HN      6.00   970.0  
HG2   137 LHEM QM8     6.90 32000.0  
HG3     9 THR  HN      6.00  5951.0  
HG3   137 LHEM HBP73   6.00 28160.0  
  9 THR  
HN      9 THR  HA      3.40 48680.0  
HN      9 THR  HB      3.20 74940.0  
HN      9 THR  QG2     5.00 22520.0  
HN     10 LEU  HN      3.50 43300.0  
HN     10 LEU  HA      5.10  4684.0  
HN     11 ASN  HN      6.00  2734.0  
HN     12 ASP- HN      5.40 10120.0  
HN     36 ALA  QB      7.00 14320.0  
HA      9 THR  HB      4.30 11670.0  
HA      9 THR  QG2     4.10 79840.0  
HA     10 LEU  HN      3.70 30630.0  
HA     11 ASN  HN      6.00  4640.0  
HA     12 ASP- HN      5.00 15480.0  
HA     12 ASP- HB2     4.40 33280.0  
HA     13 ASN  HN      5.00 15490.0  
HA     13 ASN  HD21    6.00  2531.0  
HA     36 ALA  QB      6.00 60100.0  
HB      9 THR  QG2     3.80 22400.0  
HB     10 LEU  HN      3.60 38770.0  
QG2    10 LEU  HN      7.00 18980.0  
QG2    10 LEU  HA      7.00 12740.0  
QG2    12 ASP- HN      7.00  3033.0  
QG2    12 ASP- HB3     7.00 17330.0  
QG2    13 ASN  HN      7.00  9384.0  
QG2    13 ASN  HD21    6.00 60280.0  
QG2    13 ASN  HD22    6.00 64190.0  
QG2    32 LYS+ HB2     7.00 11600.0  
QG2    33 MET  HA      7.00 23890.0  
QG2    36 ALA  HN      7.00  8884.0  
QG2    36 ALA  QB      6.20 33300.0  
 10 LEU  
HN     10 LEU  HA      3.30 62330.0  
HN     10 LEU  QB      5.10  8965.0*2
HN     10 LEU  HG      4.10 21640.0  
HN     10 LEU  QD2     5.20 17890.0  
HN     11 ASN  HN      3.60 35380.0  
HN     11 ASN  HB3     5.20  3938.0  
HN     12 ASP- HN      5.80  6446.0  
HN     12 ASP- HB2     6.00  2331.0  
HN     13 ASN  HN      6.00  2213.0  
HN     33 MET  QE      7.00  3916.0  
HA     10 LEU  QB      4.70 31630.0*2
HA     10 LEU  HG      3.90 27220.0  
HA     10 LEU  QD2     3.80 10600.0  
HA     11 ASN  HN      3.80 26550.0  
HA     12 ASP- HN      6.00  4680.0  
HA     13 ASN  HN      5.50  9353.0  
HA     13 ASN  HB2     5.50  8527.0  
HA     13 ASN  HB3     5.30 11430.0  
HA     13 ASN  HD21    6.00  2879.0  
HA     14 LEU  HN      6.00  1538.0  
HA     33 MET  HA      4.20 12410.0  
HA     33 MET  HB2     6.00 27800.0  
HA     33 MET  QG      7.00 11540.0*2
HA     33 MET  QE      6.20 54730.0  
QB     10 LEU  HG      5.00 24340.0*2
QB     11 ASN  HN      5.80  6410.0*2
QB     11 ASN  HA      6.10  4401.5*2
QB     33 MET  HN      7.00 11680.0*2
QB    137 LHEM QM1     8.00 12000.0*2
HG     33 MET  HA      6.00 23030.0  
HG     33 MET  QE      6.30 48420.0  
HG     37 ALA  HN      6.00 28440.0  
QD1    37 ALA  QB      8.00  3935.0  
QD1    65 PHE  CG      9.00  2359.0*2
QD1   137 LHEM HAM     6.60 38950.0  
QD2    33 MET  HN      7.00 11710.0  
QD2    33 MET  HA      6.20 55060.0  
QD2    33 MET  HB2     5.40 07400.0  
QD2    33 MET  QE      5.40 04200.0  
QD2    37 ALA  HN      7.00 24960.0  
QD2    37 ALA  HA      7.00  4205.0  
QD2    65 PHE  CG      9.00  4076.5*2
QD2    68 LEU  QD1     8.00  6688.0  
QD2    68 LEU  QD2     7.50 42600.0  
QD2    72 ILE  QD1     7.90 29980.0  
QD2   137 LHEM QM1     7.00  1370.0  
 11 ASN  
HN     11 ASN  HA      3.60 38780.0  
HN     11 ASN  HB2     3.40 56220.0  
HN     11 ASN  HB3     3.30 59870.0  
HN     11 ASN  HD21    5.90  2294.0  
HN     11 ASN  HD22    6.00  1357.0  
HN     12 ASP- HN      3.40 56390.0  
HN     13 ASN  HN      5.90  5905.0  
HN    137 LHEM QM8     7.00      .0  
HN    137 LHEM QM1     7.00 23300.0  
HA     11 ASN  HB2     4.10 17390.0  
HA     11 ASN  HB3     4.40 11580.0  
HA     12 ASP- HN      4.30 13070.0  
HA     13 ASN  HN      6.00  5095.0  
HA     14 LEU  HN      4.80 20920.0  
HA     15 LYS+ HN      6.00  2673.0  
HA    137 LHEM QM1     6.40 46870.0  
HB2    11 ASN  HD21    3.80 34690.0  
HB2    11 ASN  HD22    4.50 12330.0  
HB2    12 ASP- HN      3.60 34890.0  
HB2   137 LHEM QM8     4.00 15000.0  
HB2   137 LHEM HDM     5.50 58000.0  
HB2   137 LHEM QM1     7.00 24000.0  
HB3    11 ASN  HD21    3.50 56870.0  
HB3    11 ASN  HD22    3.70 42020.0  
HB3    12 ASP- HN      3.20 68640.0  
HB3   137 LHEM QM8     7.00 28090.0  
HB3   137 LHEM HDM     5.80 46000.0  
HB3   137 LHEM QM1     7.00 13130.0  
HD21   12 ASP- HN      6.00  6284.0  
HD21  137 LHEM QM8     5.10 47100.0  
HD22   12 ASP- HN      6.00  2531.0  
 12 ASP- 
HN     12 ASP- HA      3.60 37160.0  
HN     12 ASP- HB2     3.20 74250.0  
HN     12 ASP- HB3     3.60 39140.0  
HN     13 ASN  HN      3.50 44120.0  
HN     13 ASN  HA      6.00   834.0  
HN     13 ASN  HD21    6.00  4683.0  
HN     14 LEU  HN      6.00  5555.0  
HN     15 LYS+ HN      6.00   981.0  
HA     12 ASP- HB2     3.90 23300.0  
HA     12 ASP- HB3     3.40 50870.0  
HA     15 LYS+ HN      5.50  8600.0  
HB2    13 ASN  HN      3.80 26990.0  
HB2    16 VAL  QG2     7.00  7471.0  
HB3    13 ASN  HN      3.80 25260.0  
HB3    16 VAL  QG2     7.00 12270.0  
 13 ASN  
HN     13 ASN  HA      3.60 34770.0  
HN     13 ASN  HB2     3.60 38890.0  
HN     13 ASN  HB3     3.50 42190.0  
HN     13 ASN  HD21    3.60 43010.0  
HN     13 ASN  HD22    3.80 31380.0  
HN     14 LEU  HN      3.50 46490.0  
HN     14 LEU  HB2     4.70  7737.0  
HN     15 LYS+ HN      5.80  6678.0  
HN     16 VAL  HN      6.00  4030.0  
HN     16 VAL  QG2     7.00  6864.0  
HN     33 MET  HB2     6.00  9322.0  
HN     33 MET  QG      7.00  2394.0*2
HA     13 ASN  HB2     3.50 44040.0  
HA     13 ASN  HB3     4.30 12860.0  
HA     13 ASN  HD21    5.00  6569.0  
HA     14 LEU  HN      4.70  7563.0  
HA     15 LYS+ HN      6.00  1954.0  
HA     16 VAL  HN      4.80 19650.0  
HA     16 VAL  HA      6.00  1667.0  
HA     16 VAL  HB      3.90 71960.0  
HA     16 VAL  QG1     7.00 23460.0  
HA     16 VAL  QG2     5.80 75910.0  
HA     17 ILE  HN      5.30 10890.0  
HA     33 MET  HB2     6.00 26490.0  
HA     33 MET  QG      7.00   344.5*2
HB2    13 ASN  HD21    4.10 19400.0  
HB2    13 ASN  HD22    4.70  9025.0  
HB2    14 LEU  HN      4.30 11980.0  
HB2    29 ALA  QB      6.00 60190.0  
HB2    33 MET  HA      6.00 11510.0  
HB3    13 ASN  HD21    4.10 21700.0  
HB3    13 ASN  HD22    4.60  9745.0  
HB3    14 LEU  HN      4.00 17960.0  
HB3    16 VAL  QG2     7.00  6696.0  
HB3    17 ILE  QG2     7.00  7139.0  
HB3    33 MET  QG      7.00 22000.0*2
HD21   32 LYS+ HB2     6.00  5670.0  
HD21   33 MET  HB2     6.00  7923.0  
HD21   33 MET  QE      7.00      .0  
HD22   29 ALA  QB      7.00 14680.0  
HD22   32 LYS+ HB3     6.00 17650.0  
HD22   32 LYS+ QG      7.00   400.5*2
 14 LEU  
HN     14 LEU  HA      3.80 28070.0  
HN     14 LEU  HB2     3.10 95810.0  
HN     14 LEU  HB3     4.00 20310.0  
HN     14 LEU  QD1     4.80 27460.0  
HN     14 LEU  QD2     5.60 11570.0  
HN     15 LYS+ HN      3.50 46730.0  
HN     16 VAL  HN      5.80  6289.0  
HN     17 ILE  QD1     7.00 15450.0  
HN     33 MET  QE      7.00 21940.0  
HN    137 LHEM QM1     7.00  5900.0  
HA     14 LEU  HB2     3.10 86720.0  
HA     14 LEU  QD1     4.10 75370.0  
HA     14 LEU  QD2     4.60 38700.0  
HA     17 ILE  HB      4.40 33720.0  
HA     33 MET  QE      7.00 21600.0  
HB2    14 LEU  QD1     4.10 72410.0  
HB2    14 LEU  QD2     4.00 85590.0  
HB2    15 LYS+ HN      3.90 23220.0  
HB2   137 LHEM QM1     7.00 19560.0  
HB3    14 LEU  QD1     4.30 58940.0  
HB3    14 LEU  QD2     4.40 51550.0  
QD1    15 LYS+ HN      7.00  4163.0  
QD1    33 MET  QE      6.00 53100.0  
QD1    91 ALA  QB      6.90 69170.0  
QD1    94 LEU  HN      7.00  7802.0  
QD1    94 LEU  QD1     7.00 62430.0  
QD1    94 LEU  QD2     6.80 75000.0  
QD1    95 LYS+ HN      7.00  2835.0  
QD1   137 LHEM QM1     6.00 61230.0  
QD2    15 LYS+ HN      7.00  2307.0  
QD2    33 MET  HB2     7.00  1158.0  
QD2    33 MET  QE      6.50 01600.0  
QD2    94 LEU  QD2     8.00 15760.0  
QD2    95 LYS+ HN      7.00  4755.0  
 15 LYS+ 
HN     15 LYS+ HA      3.70 32320.0  
HN     15 LYS+ HB2     4.00 19830.0  
HN     15 LYS+ HB3     3.80 28190.0  
HN     15 LYS+ QG      5.60 10410.0*2
HN     16 VAL  HN      3.60 37700.0  
HN     16 VAL  HB      5.10  4474.0  
HN     16 VAL  QG1     7.00  5657.0  
HN     16 VAL  QG2     7.00 15130.0  
HN     17 ILE  HN      6.00  3961.0  
HA     15 LYS+ HB2     3.80 26380.0  
HA     15 LYS+ QG      4.70 21325.0*2
HA     16 VAL  HN      4.80  6385.0  
HA     17 ILE  HN      6.00  5191.0  
HA     18 GLU- HN      4.60 27420.0  
HA     19 LYS+ HN      4.50 29000.0  
HB3    16 VAL  HN      3.80 26650.0  
QG     16 VAL  HN      7.00 21475.0*2
QG     16 VAL  QG1     8.00 11735.0*2
QG     16 VAL  QG2     8.00  2527.5*2
 16 VAL  
HN     16 VAL  HA      3.40 51820.0  
HN     16 VAL  HB      3.40 49550.0  
HN     16 VAL  QG1     4.70 32010.0  
HN     16 VAL  QG2     4.10 74500.0  
HN     17 ILE  HN      3.70 32440.0  
HN     17 ILE  HA      6.00   727.0  
HN     18 GLU- HN      6.00  2948.0  
HN     29 ALA  QB      7.00 11540.0  
HA     16 VAL  HB      3.60 33930.0  
HA     16 VAL  QG1     3.90 05200.0  
HA     16 VAL  QG2     3.60 66900.0  
HA     17 ILE  HN      3.80 25260.0  
HA     18 GLU- HN      6.00   126.0  
HA     19 LYS+ HN      4.50 31060.0  
HA     19 LYS+ QD      7.00 14875.0*2
HA     20 ALA  HN      5.10 13410.0  
HA     20 ALA  QB      6.50  5800.0  
HB     16 VAL  QG1     3.70 49100.0  
HB     16 VAL  QG2     3.60 69200.0  
HB     17 ILE  HN      3.80 27250.0  
HB     29 ALA  QB      7.00 25550.0  
QG1    17 ILE  HN      6.50 41710.0  
QG1    20 ALA  HN      7.00  7671.0  
QG1    20 ALA  HA      7.00  9938.0  
QG1    25 GLN  HA      7.00  9938.0  
QG1    25 GLN  HB2     6.40 44640.0  
QG1    25 GLN  HB3     6.30 48690.0  
QG1    25 GLN  QG      8.00  3758.5*2
QG1    26 VAL  HA      7.00 18910.0  
QG1    29 ALA  HN      7.00 13490.0  
QG1    29 ALA  QB      5.40 03100.0  
QG2    17 ILE  HN      7.00 10430.0  
QG2    20 ALA  HN      7.00  4337.0  
QG2    29 ALA  QB      7.10 57870.0  
 17 ILE  
HN     17 ILE  HA      3.80 26800.0  
HN     17 ILE  HB      3.50 46610.0  
HN     17 ILE  QG2     4.90 25300.0  
HN     17 ILE  QG1     5.20 18250.0*2
HN     17 ILE  QD1     5.00 21560.0  
HN     18 GLU- HN      3.80 26560.0  
HN     19 LYS+ HN      6.00  5181.0  
HN     20 ALA  QB      6.10  8610.0  
HN     26 VAL  QG2     7.00  2155.0  
HN     29 ALA  QB      6.40 44450.0  
HA     17 ILE  HB      3.70 31300.0  
HA     17 ILE  QG2     4.90 25520.0  
HA     17 ILE  QG1     4.90 15890.0*2
HA     18 GLU- HN      4.40 11460.0  
HA     19 LYS+ HN      6.00  1365.0  
HA     20 ALA  HN      5.20 13230.0  
HA     20 ALA  QB      4.50 54310.0  
HA     26 VAL  HA      3.10 64060.0  
HA     26 VAL  QG1     6.70 36980.0  
HA     26 VAL  QG2     6.40 45770.0  
HA     29 ALA  QB      7.00 16730.0  
HB     17 ILE  QG2     3.70 29100.0  
HB     18 GLU- HN      3.70 30820.0  
HB     29 ALA  QB      7.00 29680.0  
QG2    17 ILE  QG1     5.40 47130.0*2
QG2    18 GLU- HN      7.00 19670.0  
QG2    18 GLU- HA      7.00  4581.0  
QG2    29 ALA  QB      7.00 61330.0  
QG2    30 LEU  HN      7.00 24070.0  
QG2    88 GLN  HA      7.00 15150.0  
QG1    17 ILE  QD1     5.10 69850.0*2
QG1    29 ALA  QB      7.40 46515.0*2
QG1    91 ALA  QB      8.00  5310.0*2
QD1    26 VAL  HA      7.00 20160.0  
QD1    30 LEU  HN      7.00 24150.0  
 18 GLU- 
HN     18 GLU- HA      3.90 23960.0  
HN     18 GLU- HB2     3.60 34780.0  
HN     18 GLU- HB3     3.90 21070.0  
HN     18 GLU- QG      5.40 13510.0*2
HN     19 LYS+ HN      3.90 24270.0  
HN     19 LYS+ QD      7.00  5620.0*2
HN     20 ALA  HN      6.00  5519.0  
HA     18 GLU- HB2     3.80 27180.0  
HA     18 GLU- HB3     3.60 36810.0  
HA     18 GLU- QG      5.00 13355.0*2
HA     19 LYS+ HN      4.80  6149.0  
HA     20 ALA  HN      6.00  4124.0  
HA     88 GLN  HE22    6.00  6717.0  
HB2    18 GLU- QG      5.40 13545.0*2
HB2    19 LYS+ HN      4.10 15920.0  
QG     19 LYS+ HN      7.00  2116.5*2
 19 LYS+ 
HN     19 LYS+ HA      3.60 39580.0  
HN     19 LYS+ QB      5.00 10770.0*2
HN     19 LYS+ QG      5.20 18860.0*2
HN     19 LYS+ QD      4.90 26695.0*2
HN     20 ALA  HN      3.20 78910.0  
HN     20 ALA  QB      6.10  5310.0  
HA     19 LYS+ QB      4.40 52400.0*2
HA     19 LYS+ QG      4.60 22740.0*2
HA     19 LYS+ QD      5.70  9410.0*2
HA     20 ALA  HN      3.80 24460.0  
QB     19 LYS+ QD      5.20 03425.0*4
QB     20 ALA  HN      5.90  5870.0*2
 20 ALA  
HN     20 ALA  HA      3.50 43650.0  
HN     20 ALA  QB      3.60 27600.0  
HN     21 ASP- HN      4.70  7472.0  
HN     26 VAL  QG1     7.00  1222.0  
HN     26 VAL  QG2     7.00  9041.0  
HN     88 GLN  HE21    6.00 10270.0  
HN     88 GLN  HE22    6.00 12080.0  
HA     20 ALA  QB      3.40 92300.0  
HA     21 ASP- HN      2.70 94000.0  
HA     22 ASN  HN      4.20 43000.0  
HA     26 VAL  QG2     7.00  5294.0  
QB     21 ASP- HN      4.00 61610.0  
QB     22 ASN  HN      4.30 66420.0  
QB     25 GLN  HB2     5.80 72770.0  
QB     26 VAL  HN      7.00 15530.0  
QB     26 VAL  HA      7.00 13140.0  
QB     26 VAL  HB      6.60 40030.0  
QB     26 VAL  QG2     5.90 74100.0  
QB     88 GLN  HE22    7.00 28720.0  
 21 ASP- 
HN     21 ASP- HA      3.80 25290.0  
HN     21 ASP- HB2     3.90 22820.0  
HN     21 ASP- HB3     4.00 19020.0  
HN     22 ASN  HN      3.10 89550.0  
HN     22 ASN  HA      5.50  2809.0  
HN     22 ASN  HB2     6.00  1703.0  
HN     22 ASN  HD22    6.00  7070.0  
HN     25 GLN  HB2     5.30 11200.0  
HN     25 GLN  HE21    6.00  1176.0  
HN     25 GLN  HE22    6.00  4294.0  
HN     26 VAL  QG1     7.00  1944.0  
HN     26 VAL  QG2     7.00  4722.0  
HB3    22 ASN  HN      5.20  3974.0  
 22 ASN  
HN     22 ASN  HA      3.70 29380.0  
HN     22 ASN  HB2     4.50  9237.0  
HN     22 ASN  HB3     3.90 21300.0  
HN     23 ALA  HN      5.00  5005.0  
HN     25 GLN  HN      6.00  5515.0  
HN     25 GLN  HB2     4.60 27010.0  
HN     25 GLN  HB3     4.90 18630.0  
HN     25 GLN  QG      7.00  2660.0*2
HN     26 VAL  HN      5.20 13190.0  
HN     26 VAL  QG2     7.00 22470.0  
HN     84 VAL  QG1     7.00 21500.0  
HA     22 ASN  HB2     3.00 09400.0  
HA     22 ASN  HB3     3.10 00500.0  
HA     22 ASN  HD21    5.90  2298.0  
HA     22 ASN  HD22    5.00  6393.0  
HA     23 ALA  HN      3.00 20000.0  
HA     23 ALA  HA      4.60  8340.0  
HA     23 ALA  QB      5.10 14560.0  
HA     24 ALA  HN      5.50  8892.0  
HA     25 GLN  HN      6.00  2206.0  
HA     84 VAL  QG1     7.00 15250.0  
HA     84 VAL  QG2     6.60 37580.0  
HB2    22 ASN  HD21    4.40 14480.0  
HB2    22 ASN  HD22    4.20 18010.0  
HB2    23 ALA  HN      3.30 65320.0  
HB2    23 ALA  HA      5.80  2015.0  
HB2    24 ALA  HN      4.50 28840.0  
HB2    24 ALA  QB      6.70 35210.0  
HB2    25 GLN  HN      5.10 14340.0  
HB2    84 VAL  QG2     7.00 14030.0  
HB3    22 ASN  HD21    4.10 20870.0  
HB3    22 ASN  HD22    3.70 41300.0  
HB3    23 ALA  HN      3.60 39320.0  
HB3    24 ALA  HN      5.50  8616.0  
HB3    25 GLN  HN      6.00  4267.0  
HD21   24 ALA  HN      6.00  4399.0  
HD21   24 ALA  QB      7.00 15680.0  
HD21   25 GLN  HN      6.00  6281.0  
HD21   25 GLN  HB2     6.00 18640.0  
HD21   25 GLN  QG      7.00 10760.0*2
HD22   24 ALA  HN      6.00  2305.0  
HD22   25 GLN  HN      6.00 14340.0  
HD22   25 GLN  HB2     6.00 14670.0  
HD22   25 GLN  HE21    6.00  4656.0  
HD22   25 GLN  HE22    6.00  4148.0  
 23 ALA  
HN     23 ALA  HA      3.40 51030.0  
HN     23 ALA  QB      3.40 80300.0  
HN     24 ALA  HN      3.40 49600.0  
HN     25 GLN  HN      6.00  4899.0  
HN     26 VAL  HN      6.00  2888.0  
HN     84 VAL  QG1     7.00  8578.0  
HN     84 VAL  QG2     6.50 42420.0  
HA     23 ALA  QB      3.40 92400.0  
HA     24 ALA  HN      3.80 25530.0  
HA     24 ALA  HA      5.30  3538.0  
HA     25 GLN  HN      6.00  4453.0  
HA     25 GLN  HB2     5.20 12500.0  
HA     26 VAL  HN      4.60 28170.0  
HA     26 VAL  HB      3.90 70800.0  
HA     26 VAL  QG1     7.00 24770.0  
HA     26 VAL  QG2     6.70 34920.0  
HA     27 LYS+ HN      5.30 11410.0  
HA     84 VAL  HA      5.10  4796.0  
HA     84 VAL  QG1     7.00 18340.0  
HA     84 VAL  QG2     6.00 63590.0  
QB     24 ALA  HN      3.90 71680.0  
QB     26 VAL  HN      5.90 10580.0  
QB     26 VAL  HB      7.00 28240.0  
QB     27 LYS+ HN      5.40 16680.0  
QB     79 ALA  HA      6.50 41560.0  
QB     79 ALA  QB      6.90 67670.0  
QB     82 GLY  HN      7.00 26400.0  
QB     82 GLY  HA1     6.70 35540.0  
QB     82 GLY  HA2     5.80 75300.0  
QB     84 VAL  HN      7.00 19010.0  
QB     84 VAL  HA      7.00 14810.0  
QB     84 VAL  HB      7.00 27200.0  
QB     84 VAL  QG2     5.90 68200.0  
 24 ALA  
HN     24 ALA  HA      3.30 65790.0  
HN     24 ALA  QB      3.40 93800.0  
HN     25 GLN  HN      3.30 59290.0  
HN     25 GLN  QG      7.00  1204.0*2
HN     26 VAL  HN      5.20 11970.0  
HN     27 LYS+ HN      5.80  6640.0  
HA     24 ALA  QB      3.40 49900.0  
HA     25 GLN  HN      3.90 22850.0  
HA     26 VAL  HN      6.00  3275.0  
HA     27 LYS+ HN      4.70 24080.0  
HA     27 LYS+ QG      7.00 12555.0*2
HA     28 ASP- HN      5.80  6642.0  
QB     25 GLN  HN      4.00 62720.0  
QB     28 ASP- HN      6.60  5250.0  
 25 GLN  
HN     25 GLN  HA      3.50 42800.0  
HN     25 GLN  HB2     3.00 04700.0  
HN     25 GLN  HB3     3.60 34450.0  
HN     25 GLN  QG      4.80 31650.0*2
HN     25 GLN  HE21    6.00  1114.0  
HN     26 VAL  HN      3.50 43150.0  
HN     26 VAL  HA      5.60  2510.0  
HN     26 VAL  HB      5.20  3795.0  
HN     26 VAL  QG1     7.00  2602.0  
HN     26 VAL  QG2     7.00  9045.0  
HN     27 LYS+ HN      5.70  7075.0  
HN     28 ASP- HN      6.00  5232.0  
HA     25 GLN  HB2     3.10 94320.0  
HA     25 GLN  HB3     3.40 48230.0  
HA     25 GLN  QG      5.00 14265.0*2
HA     26 VAL  HN      4.40 10490.0  
HA     28 ASP- HN      5.30 10800.0  
HA     28 ASP- HB2     4.70 23720.0  
HA     28 ASP- HB3     4.50 28690.0  
HA     29 ALA  HN      5.60  8248.0  
HB2    25 GLN  QG      3.90 69550.0*2
HB2    25 GLN  HE21    3.70 41000.0  
HB2    26 VAL  HN      3.60 34240.0  
HB2    26 VAL  QG2     7.00 11980.0  
HB3    25 GLN  QG      5.10 20250.0*2
HB3    26 VAL  HN      3.90 22630.0  
HB3    26 VAL  QG2     7.00 15990.0  
QG     25 GLN  HE21    5.20 18185.0*2
QG     25 GLN  HE22    5.90  7170.0*2
QG     26 VAL  HN      7.00  3314.0*2
 26 VAL  
HN     26 VAL  HA      3.60 38510.0  
HN     26 VAL  HB      3.20 81210.0  
HN     26 VAL  QG1     5.00 21800.0  
HN     26 VAL  QG2     4.00 88340.0  
HN     27 LYS+ HN      3.50 44890.0  
HN     27 LYS+ HB2     4.50  9108.0  
HN     27 LYS+ QG      7.00  3232.5*2
HN     28 ASP- HN      6.00  3650.0  
HN     84 VAL  QG1     7.00  2789.0  
HN     84 VAL  QG2     7.00 10380.0  
HA     26 VAL  HB      3.50 45320.0  
HA     26 VAL  QG1     3.90 93190.0  
HA     26 VAL  QG2     3.80 14700.0  
HA     27 LYS+ HN      4.40 11340.0  
HA     29 ALA  HN      4.90 17460.0  
HA     29 ALA  QB      4.70 40960.0  
HA     30 LEU  HN      6.00  4890.0  
HA     30 LEU  HG      6.00  5557.0  
HA     30 LEU  QD1     7.00  6823.0  
HB     26 VAL  QG1     3.80 22800.0  
HB     26 VAL  QG2     3.50 80700.0  
HB     27 LYS+ HN      3.40 49480.0  
HB     30 LEU  QD1     7.00 17340.0  
HB     79 ALA  QB      6.40 44870.0  
HB     84 VAL  QG1     6.90 30500.0  
HB     84 VAL  QG2     6.10 58420.0  
QG1    27 LYS+ HN      7.00 24480.0  
QG1    28 ASP- HN      7.00   518.0  
QG1    29 ALA  QB      6.40 03000.0  
QG1    30 LEU  HN      7.00 22760.0  
QG1    30 LEU  QD1     5.90 71500.0  
QG1    76 LEU  HA      7.00 12660.0  
QG1    79 ALA  HA      7.00 14700.0  
QG1    79 ALA  QB      5.90 65600.0  
QG1    84 VAL  HA      7.00  9166.0  
QG1    88 GLN  HN      7.00  7768.0  
QG1    88 GLN  HA      7.00 20540.0  
QG1    88 GLN  HG2     6.80 34300.0  
QG2    27 LYS+ HN      7.00 18240.0  
QG2    27 LYS+ QG      8.00 11110.0*2
QG2    79 ALA  QB      7.40 45160.0  
QG2    84 VAL  HA      6.50 41360.0  
QG2    84 VAL  QG1     6.70 84260.0  
QG2    84 VAL  QG2     6.60 85190.0  
QG2    87 ALA  HA      7.00  1536.0  
QG2    87 ALA  QB      7.20 54150.0  
QG2    88 GLN  HN      7.00  3415.0  
QG2    88 GLN  HG2     7.00 13160.0  
QG2    88 GLN  HE21    7.00  6741.0  
QG2    88 GLN  HE22    7.00  7440.0  
 27 LYS+ 
HN     27 LYS+ HA      3.50 45160.0  
HN     27 LYS+ HB2     3.30 63420.0  
HN     27 LYS+ HB3     3.40 48630.0  
HN     27 LYS+ QG      5.20 17240.0*2
HN     27 LYS+ QD      5.50 11190.0*2
HN     27 LYS+ QE      7.00   898.5*2
HN     28 ASP- HN      3.70 31090.0  
HN     28 ASP- HB2     5.70  2150.0  
HN     29 ALA  HN      5.50  8846.0  
HN     30 LEU  QD1     7.00  6609.0  
HN     76 LEU  QD2     7.00 10310.0  
HA     27 LYS+ HB2     3.40 55050.0  
HA     27 LYS+ QG      4.30 40700.0*2
HA     27 LYS+ QD      5.30 15325.0*2
HA     28 ASP- HN      4.50 10010.0  
HA     30 LEU  HN      5.10 14900.0  
HA     30 LEU  QB      6.70  6940.0*2
HA     30 LEU  QD1     6.30 47780.0  
HA     31 THR  HN      6.00  5057.0  
HA     76 LEU  HB3     6.00  7928.0  
HA     76 LEU  QD2     5.00 61600.0  
HB2    27 LYS+ QG      4.60 46075.0*2
HB2    27 LYS+ QD      4.80 35595.0*2
HB2    27 LYS+ QE      5.50 12120.0*2
HB2    28 ASP- HN      4.50 10000.0  
HB2    31 THR  HN      5.90  5792.0  
HB2    76 LEU  QD2     7.00 21050.0  
HB3    27 LYS+ QE      6.40  3788.0*2
HB3    28 ASP- HN      4.30 12990.0  
QG     27 LYS+ QD      5.70 39375.0*4
QG     28 ASP- HN      7.00  3124.5*2
QG     28 ASP- HA      7.00  6335.0*2
QG     80 ASN  HN      7.00 18360.0*2
QG     80 ASN  HA      7.00  2024.0*2
QG     80 ASN  HB2     7.00 10940.0*2
QD     28 ASP- HN      7.00  1864.0*2
QD     28 ASP- HA      7.00  2560.5*2
QD     80 ASN  HN      7.00   635.0*2
QD     80 ASN  HB3     7.00 38045.0*2
 28 ASP- 
HN     28 ASP- HA      3.70 31690.0  
HN     28 ASP- HB2     3.20 76030.0  
HN     28 ASP- HB3     3.30 62100.0  
HN     29 ALA  HN      3.50 40040.0  
HN     29 ALA  QB      5.70  8070.0  
HN     30 LEU  HN      6.00  3132.0  
HA     28 ASP- HB2     3.10 82980.0  
HA     28 ASP- HB3     3.50 41770.0  
HA     29 ALA  HN      4.50  9772.0  
HA     30 LEU  HN      6.00  3903.0  
HA     31 THR  HN      5.10 14070.0  
HA     31 THR  HB      6.00  2602.0  
HA     31 THR  QG2     5.80 76780.0  
HA     32 LYS+ HN      6.00  1223.0  
HB2    29 ALA  HN      3.70 29270.0  
HB3    29 ALA  HN      3.50 40860.0  
 29 ALA  
HN     29 ALA  HA      3.50 44220.0  
HN     29 ALA  QB      3.60 23800.0  
HN     30 LEU  HN      3.30 60600.0  
HN     31 THR  HN      5.50  9318.0  
HA     29 ALA  QB      3.50 54000.0  
HA     30 LEU  HN      4.10 16600.0  
HA     31 THR  HN      6.00  4030.0  
HA     32 LYS+ HB2     4.60 26370.0  
QB     30 LEU  HN      4.10 56150.0  
QB     30 LEU  HA      5.40 10540.0  
QB     30 LEU  HG      7.00 25700.0  
QB     30 LEU  QD1     7.80 33620.0  
QB     31 THR  HN      7.00  3386.0  
QB     33 MET  HN      6.20  7453.0  
 30 LEU  
HN     30 LEU  HA      3.70 31620.0  
HN     30 LEU  QB      4.40 27620.0*2
HN     30 LEU  HG      3.40 70720.0  
HN     30 LEU  QD1     4.70 33020.0  
HN     30 LEU  QD2     4.30 52760.0  
HN     31 THR  HN      3.70 30720.0  
HN     31 THR  HA      4.90  5489.0  
HN     31 THR  HB      5.00  4929.0  
HN     32 LYS+ HN      4.70 22330.0  
HN     76 LEU  QD2     7.00 27230.0  
HA     30 LEU  QB      4.80 28345.0*2
HA     30 LEU  HG      3.70 38020.0  
HA     30 LEU  QD1     4.50 41730.0  
HA     30 LEU  QD2     4.80 27840.0  
HA     31 THR  HN      4.50  9132.0  
HA     33 MET  HN      4.90 18460.0  
HA     33 MET  HB2     5.40  9802.0  
HA     72 ILE  QG2     6.50 40250.0  
QB     30 LEU  HG      5.00 24805.0*2
QB     30 LEU  QD1     6.10 20910.0*2
QB     30 LEU  QD2     5.60 38730.0*2
QB     31 THR  HN      6.20  4147.0*2
QB     33 MET  HB2     7.00  2612.5*2
QB     76 LEU  QD1     7.90 30855.0*2
HG     30 LEU  QD1     3.80 16600.0  
HG     30 LEU  QD2     4.80 26860.0  
HG     31 THR  HN      6.00  3143.0  
QD1    33 MET  QE      8.00 24940.0  
QD1    72 ILE  HA      5.70 77750.0  
QD1    72 ILE  QD1     7.00 61260.0  
QD1    75 ALA  HN      7.00  6560.0  
QD1    75 ALA  HA      7.00  8705.0  
QD1    75 ALA  QB      5.90 69700.0  
QD1    76 LEU  HN      7.00 13000.0  
QD1    76 LEU  HA      6.60 40000.0  
QD1    79 ALA  HN      7.00  9105.0  
QD1    79 ALA  QB      6.70 78070.0  
QD1    94 LEU  QD1     8.00      .0  
QD2    33 MET  QE      6.40 10500.0  
QD2    72 ILE  HA      7.00 27870.0  
QD2    75 ALA  HA      7.00  6648.0  
QD2    76 LEU  HN      7.00 10650.0  
 31 THR  
HN     31 THR  HA      3.40 48320.0  
HN     31 THR  HB      3.50 43600.0  
HN     31 THR  QG2     4.30 55020.0  
HN     32 LYS+ HN      3.70 30790.0  
HN     32 LYS+ HB2     4.50  9209.0  
HN     34 ARG+ HN      6.00  2523.0  
HN     76 LEU  QD1     7.00  5446.0  
HN     76 LEU  QD2     7.00 25760.0  
HA     31 THR  HB      3.50 44310.0  
HA     31 THR  QG2     3.80 24000.0  
HA     32 LYS+ HN      3.60 38140.0  
HA     33 MET  HN      6.00  3174.0  
HA     34 ARG+ HN      6.00  1668.0  
HB     31 THR  QG2     3.60 51000.0  
HB     32 LYS+ HN      4.50  9853.0  
HB     32 LYS+ HA      5.40  3175.0  
HB     33 MET  HN      6.00  3469.0  
HB     34 ARG+ HN      5.00 15450.0  
QG2    32 LYS+ HN      7.00 29140.0  
QG2    32 LYS+ HA      7.00  7325.0  
QG2    32 LYS+ QG      6.70 81300.0*2
QG2    35 ALA  HN      7.00  5218.0  
QG2    35 ALA  QB      8.00 15430.0  
 32 LYS+ 
HN     32 LYS+ HA      3.20 73710.0  
HN     32 LYS+ HB2     3.40 51860.0  
HN     32 LYS+ HB3     3.50 42560.0  
HN     32 LYS+ QG      5.60 11020.0*2
HN     32 LYS+ QD      5.00 23130.0*2
HN     32 LYS+ QE      6.80  2668.0*2
HN     33 MET  HN      3.80 27470.0  
HN     33 MET  QG      7.00  1031.5*2
HN     34 ARG+ HN      6.00  2972.0  
HA     32 LYS+ HB2     3.10 88410.0  
HA     32 LYS+ HB3     3.80 26530.0  
HA     32 LYS+ QG      4.40 35650.0*2
HA     33 MET  HN      4.20 13630.0  
HA     34 ARG+ HN      5.40  9669.0  
HA     35 ALA  HN      4.60 24830.0  
HB2    32 LYS+ QG      5.20 17915.0*2
HB2    33 MET  HN      3.90 21640.0  
HB2    34 ARG+ HN      5.10 14280.0  
HB3    33 MET  HN      4.00 18470.0  
QG     32 LYS+ QE      6.50 11552.5*4
QD     32 LYS+ QE      5.90 29925.0*4
 33 MET  
HN     33 MET  HA      3.60 35500.0  
HN     33 MET  HB2     3.80 26340.0  
HN     33 MET  QG      5.20 18125.0*2
HN     33 MET  QE      6.70  3752.0  
HN     34 ARG+ HN      4.00 18440.0  
HN     35 ALA  HN      6.00  2265.0  
HN     72 ILE  QD1     7.00  3699.0  
HA     33 MET  HB2     3.40 49970.0  
HA     33 MET  QG      5.00 13355.0*2
HA     33 MET  QE      5.80  8640.0  
HA     34 ARG+ HN      4.10 17000.0  
HA     36 ALA  HN      5.00 16120.0  
HA     36 ALA  QB      4.50 51770.0  
HA     72 ILE  QD1     7.00  8653.0  
HB2    33 MET  QG      4.40 68200.0*2
HB2    33 MET  QE      4.90 24550.0  
HB2    34 ARG+ HN      4.60  7798.0  
HB2    72 ILE  QG2     7.00  7777.0  
HB2    72 ILE  QD1     7.00  4464.0  
QG     33 MET  QE      6.00 22960.0*2
QG     34 ARG+ HN      7.00  4301.0*2
QE     68 LEU  QD1     7.30 49820.0  
QE     68 LEU  QD2     6.80 71900.0  
QE     72 ILE  QD1     6.50 94260.0  
QE     94 LEU  HB3     5.80 75670.0  
QE     94 LEU  QD1     6.20 25600.0  
QE     94 LEU  QD2     7.20 52420.0  
QE    137 LHEM QM1     5.70 78700.0  
 34 ARG+ 
HN     34 ARG+ HA      3.80 27270.0  
HN     34 ARG+ QB      4.10 43735.0*2
HN     35 ALA  HN      3.80 25410.0  
HN     36 ALA  HN      5.70  7596.0  
HN     37 ALA  HN      6.00  5494.0  
HN     72 ILE  QG2     6.80 33250.0  
HN     72 ILE  QD1     7.00 15110.0  
HN     76 LEU  QD1     7.00  6102.0  
HA     34 ARG+ QB      4.50 24160.0*2
HA     35 ALA  HN      4.60  8817.0  
HA     37 ALA  HN      5.50  9405.0  
HA     37 ALA  QB      4.70 41560.0  
HA     72 ILE  QG2     6.40 43550.0  
HA     72 ILE  QD1     6.70 36590.0  
QB     35 ALA  HN      5.10 15750.0*2
 35 ALA  
HN     35 ALA  HA      3.80 24830.0  
HN     35 ALA  QB      3.70 09100.0  
HN     36 ALA  HN      3.50 43450.0  
HN     36 ALA  QB      5.60  8746.0  
HN     37 ALA  HN      6.00  4991.0  
HA     35 ALA  QB      3.40 94500.0  
HA     36 ALA  HN      4.20 14880.0  
HA     38 LEU  HN      4.90 17490.0  
HA     38 LEU  QB      6.20 12395.0*2
HA     38 LEU  QD1     6.60 38000.0  
HA     38 LEU  QD2     7.00  4451.0  
HA     39 ASP- HN      5.40  9454.0  
QB     36 ALA  HN      3.90 73840.0  
QB     36 ALA  QB      8.00 18880.0  
 36 ALA  
HN     36 ALA  HA      3.40 47720.0  
HN     36 ALA  QB      3.60 33400.0  
HN     37 ALA  HN      3.40 55810.0  
HN     37 ALA  QB      6.00  5377.0  
HN     38 LEU  HN      5.40  9562.0  
HN     39 ASP- HN      5.10 14470.0  
HA     36 ALA  QB      3.60 27600.0  
HA     37 ALA  HN      4.10 15620.0  
HA     39 ASP- HN      4.80 21250.0  
HA     39 ASP- HB2     4.60 25050.0  
HA     39 ASP- HB3     4.60 26050.0  
HA     40 ALA  HN      6.00  3076.0  
QB     37 ALA  HN      3.80 88630.0  
QB     37 ALA  HA      5.20 12630.0  
QB     39 ASP- HB2     7.00  6784.0  
QB     39 ASP- HB3     7.00 10420.0  
QB     40 ALA  HN      6.50  5879.0  
 37 ALA  
HN     37 ALA  HA      3.40 54150.0  
HN     37 ALA  QB      3.70 01300.0  
HN     38 LEU  HN      3.50 43050.0  
HN     38 LEU  HG      6.00 12350.0  
HN     38 LEU  QD1     7.00  2370.0  
HN     39 ASP- HN      5.30 11780.0  
HN     40 ALA  HN      5.20 12700.0  
HN     40 ALA  QB      6.20  7514.0  
HN     65 PHE  CG      8.00  1764.5*2
HN     68 LEU  QD2     7.00  1126.0  
HA     37 ALA  QB      3.50 47900.0  
HA     38 LEU  HN      4.40 10270.0  
HA     39 ASP- HN      5.40 10220.0  
HA     40 ALA  HN      4.60 26500.0  
HA     40 ALA  QB      4.60 46840.0  
HA     41 GLN  HN      6.00  4727.0  
HA     65 PHE  HB3     6.00  4662.0  
HA     65 PHE  CG      8.00 21725.0*2
HA     65 PHE  CZ      8.00   994.0*2
HA     68 LEU  QD2     7.00  7401.0  
QB     38 LEU  HN      4.00 62700.0  
QB     38 LEU  QB      7.10 58900.0*2
QB     65 PHE  HA      6.90 31320.0  
QB     65 PHE  CG      8.60 39470.0*2
QB     65 PHE  CZ      9.00  4484.0*2
QB     68 LEU  QD1     8.00  8329.0  
QB     68 LEU  QD2     7.10 57790.0  
QB     69 VAL  QG2     6.20 30400.0  
QB     72 ILE  QD1     7.30 49550.0  
 38 LEU  
HN     38 LEU  HA      3.70 33380.0  
HN     38 LEU  QB      4.60 20080.0*2
HN     38 LEU  HG      3.50 51130.0  
HN     38 LEU  QD1     4.70 32430.0  
HN     38 LEU  QD2     5.10 20900.0  
HN     39 ASP- HN      3.60 35610.0  
HN     39 ASP- HB2     5.50  2719.0  
HN     40 ALA  HN      5.20 11930.0  
HN     41 GLN  HN      6.00   491.0  
HN     69 VAL  QG2     7.00 11640.0  
HA     38 LEU  QB      5.30 12440.0*2
HA     38 LEU  HG      3.60 49100.0  
HA     38 LEU  QD1     5.10 19020.0  
HA     38 LEU  QD2     3.80 11400.0  
HA     39 ASP- HN      4.90  5660.0  
HA     40 ALA  HN      6.00  4815.0  
HA     41 GLN  HN      5.20 12960.0  
QB     38 LEU  HG      3.90 59900.0*2
QB     38 LEU  QD1     4.90 97100.0*2
QB     38 LEU  QD2     5.50 44620.0*2
QB     39 ASP- HN      4.90 21635.0*2
HG     38 LEU  QD1     4.20 64750.0  
HG     38 LEU  QD2     3.90 05900.0  
HG     39 ASP- HN      6.00  5317.0  
QD1    39 ASP- HN      7.00  5160.0  
QD1    41 GLN  HE22    6.10 57120.0  
QD2    39 ASP- HN      7.00  4585.0  
QD2    41 GLN  HN      7.00  2307.0  
QD2    41 GLN  QB      8.00 25330.0*2
QD2    65 PHE  CG      9.00  1678.0*2
 39 ASP- 
HN     39 ASP- HA      3.60 36890.0  
HN     39 ASP- HB2     3.20 71600.0  
HN     39 ASP- HB3     3.40 50280.0  
HN     40 ALA  HN      3.20 77840.0  
HN     40 ALA  QB      5.20 13550.0  
HN     41 GLN  HN      6.00  4890.0  
HN     42 LYS+ HN      6.00  1103.0  
HA     39 ASP- HB2     3.60 36550.0  
HA     39 ASP- HB3     3.70 31860.0  
HA     40 ALA  HN      4.20 13980.0  
HA     41 GLN  HN      6.00  2567.0  
HA     41 GLN  QB      6.30 11290.0*2
HA     42 LYS+ HN      5.90  5933.0  
HA     42 LYS+ HB3     4.90 16960.0  
HA     42 LYS+ QG      7.00      .0*2
HA     42 LYS+ QE      7.00      .0*2
HB2    40 ALA  HN      4.10 17750.0  
HB3    40 ALA  HN      3.60 34660.0  
 40 ALA  
HN     40 ALA  HA      3.50 46170.0  
HN     40 ALA  QB      3.80 82780.0  
HN     41 GLN  HN      3.50 41820.0  
HN     41 GLN  QB      5.70  7415.0*2
HN     42 LYS+ HN      5.90  5631.0  
HA     40 ALA  QB      3.50 55300.0  
HA     41 GLN  HN      3.80 27730.0  
HA     42 LYS+ HN      5.10 13360.0  
HA     42 LYS+ QG      7.00  2323.5*2
HA     43 ALA  HN      4.30 39410.0  
HA     43 ALA  QB      4.30 67670.0  
QB     41 GLN  HN      4.20 47420.0  
QB     41 GLN  HA      5.00 16740.0  
QB     43 ALA  HN      5.70 12500.0  
QB     65 PHE  CG      9.00 10080.0*2
QB     65 PHE  CZ      9.00 18450.0*2
QB     65 PHE  HZ      7.00 13460.0  
 41 GLN  
HN     41 GLN  HA      3.40 54770.0  
HN     41 GLN  QB      4.30 31360.0*2
HN     41 GLN  HG2     4.90  7411.0  
HN     41 GLN  HG3     3.80 32550.0  
HN     42 LYS+ HN      3.70 30040.0  
HN     43 ALA  HN      5.70  7039.0  
HN     65 PHE  HB2     6.00 28010.0  
HN     65 PHE  HB3     6.00  1522.0  
HN     65 PHE  CG      8.00  5925.0*2
HN     65 PHE  CZ      8.00  1882.0*2
HA     41 GLN  QB      4.60 34380.0*2
HA     41 GLN  HG2     3.70 38860.0  
HA     41 GLN  HG3     3.50 50640.0  
HA     41 GLN  HE22    4.10 21790.0  
HA     42 LYS+ HN      4.30 12890.0  
HA     43 ALA  HN      5.70  6838.0  
HA     61 PHE  CZ      8.00  8415.0*2
HA     62 ARG+ HA      4.00 15380.0  
HA     65 PHE  HB2     6.00  8236.0  
HA     65 PHE  HB3     6.00 12080.0  
HA     65 PHE  CG      8.00 36800.0*2
HA     65 PHE  CZ      8.00 12320.0*2
QB     41 GLN  HG2     4.80 32215.0*2
QB     41 GLN  HG3     4.00 26150.0*2
QB     41 GLN  HE21    5.60 10840.0*2
QB     41 GLN  HE22    7.00  1253.0*2
QB     42 LYS+ HN      5.70  7280.0*2
QB     65 PHE  HB2     7.00  9020.0*2
QB     65 PHE  HB3     7.00 38180.0*2
QB     65 PHE  CG      9.00  4225.0*4
QB     65 PHE  CZ      9.00   423.2*4
HG2    41 GLN  HE21    3.90 29280.0  
HG2    41 GLN  HE22    4.40 12840.0  
HG2    62 ARG+ HA      6.00 29020.0  
HG2    65 PHE  HN      6.00  1890.0  
HG2    65 PHE  CG      8.00  7980.0*2
HG3    41 GLN  HE21    4.20 17610.0  
HG3    62 ARG+ HA      6.00 15790.0  
HG3    65 PHE  CG      8.00  7680.0*2
HE21   65 PHE  HN      6.00  3071.0  
HE21   65 PHE  HB2     6.00 20590.0  
HE21   65 PHE  HB3     6.00 14560.0  
HE21   65 PHE  CG      8.00  5110.0*2
HE22   65 PHE  HN      6.00  3336.0  
HE22   65 PHE  HB2     6.00 13270.0  
HE22   65 PHE  CG      8.00  8145.0*2
 42 LYS+ 
HN     42 LYS+ HA      3.90 24010.0  
HN     42 LYS+ HB2     3.50 45000.0  
HN     42 LYS+ HB3     4.60  8756.0  
HN     42 LYS+ QG      6.00  6090.0*2
HN     42 LYS+ QD      5.30 15485.0*2
HN     42 LYS+ QE      6.60  3230.0*2
HN     43 ALA  HN      3.40 56880.0  
HN     43 ALA  HA      5.80  2053.0  
HN     43 ALA  QB      5.10 15260.0  
HA     42 LYS+ HB2     3.40 50920.0  
HA     42 LYS+ HB3     4.00 18190.0  
HA     42 LYS+ QD      6.00  6080.0*2
HA     43 ALA  HN      4.20 15390.0  
HB2    43 ALA  HN      4.90  6003.0  
QG     42 LYS+ QE      7.20  4752.5*4
QG     43 ALA  HN      7.00  1801.5*2
QG     43 ALA  HA      7.00 27780.0*2
QD     42 LYS+ QE      6.70  9037.5*4
 43 ALA  
HN     43 ALA  HA      3.40 48910.0  
HN     43 ALA  QB      3.60 32500.0  
HN     44 THR  HN      5.30  3686.0  
HN     61 PHE  CZ      8.00  4906.5*2
HA     43 ALA  QB      3.50 42300.0  
HA     44 THR  HN      3.90 22040.0  
HA     44 THR  HB      4.50  9991.0  
QB     44 THR  HN      4.00 65280.0  
QB     44 THR  HB      6.50 42000.0  
QB     61 PHE  CZ      9.00 17790.0*2
 44 THR  
HN     44 THR  HA      4.20 14420.0  
HN     44 THR  HB      3.40 55420.0  
HN     44 THR  QG2     5.20 17900.0  
HN     45 PRO  HA      4.90  5830.0  
HA     44 THR  HB      4.10 15680.0  
HA     44 THR  QG2     4.20 59890.0  
HA     45 PRO  HD2     5.60 53130.0  
HA     61 PHE  CZ      8.00   824.0*2
HB     44 THR  QG2     3.80 09600.0  
QG2    45 PRO  HA      7.00  3106.0  
QG2    45 PRO  QG      8.00 11265.0*2
QG2    46 PRO  HA      7.00  1110.0  
QG2    49 GLU- HA      5.50 99910.0  
QG2    49 GLU- HB2     7.00 27500.0  
QG2    49 GLU- HB3     7.00 13240.0  
QG2    49 GLU- QG      8.00 14160.0*2
 45 PRO  
HA     45 PRO  HB2     3.60 36130.0  
HA     45 PRO  HB3     3.00 04000.0  
HA     45 PRO  QG      4.60 24250.0*2
HA     46 PRO  HA      6.00  1533.0  
HA     46 PRO  HD2     5.40 65750.0  
HA     46 PRO  HD3     5.00 98740.0  
HA     47 LYS+ HN      6.00  3182.0  
HA     61 PHE  CZ      8.00  5385.0*2
HA    137 LHEM QM5     7.00 16250.0  
HB2    45 PRO  QG      5.20 18775.0*2
HB2    46 PRO  HD2     6.00 18240.0  
HB2    46 PRO  HD3     5.90 42040.0  
HB2    47 LYS+ HN      5.40  9801.0  
HB2    61 PHE  CZ      8.00      .0*2
HB2   137 LHEM QM5     4.50 79200.0  
HB3    45 PRO  QG      4.10 19150.0*2
HB3    45 PRO  HD2     3.90 29690.0  
HB3    46 PRO  HD2     6.00 11650.0  
HB3    46 PRO  HD3     6.00  7506.0  
HB3    47 LYS+ HN      5.90  6097.0  
HB3    61 PHE  CZ      8.00  5775.0*2
HB3   137 LHEM QM5     5.70 82820.0  
QG     45 PRO  HD2     4.40 61400.0*2
QG     45 PRO  HD3     6.50  3520.5*2
QG     46 PRO  HD2     7.00  7030.0*2
QG     46 PRO  HD3     7.00  2568.0*2
QG     47 LYS+ HN      7.00  7360.0*2
QG     48 LEU  HN      7.00  5830.0*2
QG     48 LEU  HG      7.00 34590.0*2
QG     48 LEU  QD1     8.00 11050.0*2
QG     61 PHE  CZ      9.00  5005.0*4
QG    105 TYR  CG      9.00   874.2*4
HD2    48 LEU  HG      6.00 21360.0  
HD2    61 PHE  CZ      8.00  3906.5*2
 46 PRO  
HA     46 PRO  HB2     4.00 19850.0  
HA     46 PRO  HB3     3.30 63440.0  
HA     46 PRO  QG      5.90  4263.0*2
HA     46 PRO  HD2     5.20  5007.0  
HA     46 PRO  HD3     5.00  5938.0  
HA     47 LYS+ HN      4.70  7386.0  
HA     48 LEU  HN      6.00  1479.0  
HA     49 GLU- HN      6.00  4871.0  
HA     49 GLU- QG      7.00 17570.0*2
HB2    47 LYS+ HN      3.70 31960.0  
HB3    46 PRO  HD2     5.20  4810.0  
HB3    47 LYS+ HN      4.90  5655.0  
QG     46 PRO  HD3     4.50 54200.0*2
QG    137 LHEM HBP64   7.00  2364.0*2
HD2    47 LYS+ HN      6.00 17340.0  
HD2   137 LHEM QM5     6.50 40400.0  
HD2   137 LHEM HAP62   6.00 27130.0  
HD2   137 LHEM HBP63   3.00 59000.0  
HD3    47 LYS+ HN      6.00  5986.0  
HD3   137 LHEM QM5     7.00  6320.0  
HD3   137 LHEM HBP63   3.60 34100.0  
HD3   137 LHEM HBP64   6.00  2859.0  
 47 LYS+ 
HN     47 LYS+ HA      3.50 40380.0  
HN     47 LYS+ QB      4.40 26915.0*2
HN     47 LYS+ QG      6.20  4824.5*2
HN     47 LYS+ QD      5.80  8020.0*2
HN     48 LEU  HN      3.90 22700.0  
HN     48 LEU  HG      6.00  2938.0  
HN     48 LEU  QD1     7.00   740.0  
HN     49 GLU- HN      6.00  4732.0  
HA     47 LYS+ QB      4.90 21375.0*2
HA     47 LYS+ QG      4.60 24120.0*2
HA     47 LYS+ QD      5.20 18750.0*2
HA     48 LEU  HN      4.40 10790.0  
HA     49 GLU- HN      6.00  3802.0  
QB     47 LYS+ QG      6.10 20840.0*4
QB     47 LYS+ QD      6.30 14822.5*4
QB     48 LEU  HN      6.00  5030.0*2
QB    105 TYR  HA      7.00  1270.5*2
QG     47 LYS+ QD      5.50 58475.0*4
QG     48 LEU  HN      7.00  1628.0*2
QG    105 TYR  HA      7.00   524.5*2
QG    106 ARG+ HA      7.00  5835.0*2
QD     48 LEU  HN      7.00   860.0*2
QD    105 TYR  HA      7.00  2139.0*2
QD    106 ARG+ HN      7.00      .0*2
QD    106 ARG+ HA      7.00      .0*2
QE    105 TYR  HA      7.00 28900.0*2
QE    105 TYR  QB      7.80 43675.0*4
QE    105 TYR  CG      9.00 25975.0*4
QE    105 TYR  CZ      9.00  5825.0*4
QE    106 ARG+ HN      7.00  3811.0*2
 48 LEU  
HN     48 LEU  HA      4.40 11430.0  
HN     48 LEU  QB      5.70  4305.0*2
HN     48 LEU  HG      3.40 60850.0  
HN     48 LEU  QD1     5.70  9656.0  
HN     49 GLU- HN      3.50 46390.0  
HN     49 GLU- HA      4.60  8283.0  
HN     49 GLU- QG      7.00  2706.5*2
HN     50 ASP- HN      6.00  4092.0  
HA     48 LEU  QB      5.00 20230.0*2
HA     48 LEU  HG      3.60 48120.0  
HA     48 LEU  QD1     5.50 12170.0  
HA     49 GLU- HN      4.20 14370.0  
HA     50 ASP- HN      5.10 14520.0  
HA     51 LYS+ QG      7.00 11820.0*2
HA    105 TYR  CG      8.00  3705.5*2
QB     48 LEU  HG      4.40 68800.0*2
QB     48 LEU  QD1     6.00 21620.0*2
QB     49 GLU- HN      6.20  3911.5*2
QB     51 LYS+ HN      7.00  3442.0*2
QB    105 TYR  CG      9.00  4312.5*4
HG     48 LEU  QD1     3.80 13900.0  
HG     49 GLU- HN      6.00  5707.0  
HG    105 TYR  HA      6.00  2254.0  
HG    105 TYR  CG      8.00  5280.0*2
HG    105 TYR  CZ      8.00  5230.0*2
QD1    57 GLU- HN      7.00  3020.0  
QD1    57 GLU- HA      7.00  4094.0  
QD1    58 MET  HN      7.00 25230.0  
QD1    58 MET  QB      8.00 17050.0*2
QD1    61 PHE  HN      7.00  8015.0  
QD1    61 PHE  QB      8.00  9590.0*2
QD1    61 PHE  CG      9.00  3137.5*2
QD1   105 TYR  HA      7.00  3796.0  
QD1   105 TYR  CG      9.00 24940.0*2
QD1   105 TYR  CZ      9.00 15305.0*2
 49 GLU- 
HN     49 GLU- HA      3.90 24340.0  
HN     49 GLU- HB2     3.70 32930.0  
HN     49 GLU- HB3     3.90 22720.0  
HN     49 GLU- QG      5.50 11840.0*2
HN     50 ASP- HN      4.10 16410.0  
HN     51 LYS+ HN      6.00   968.0  
HA     49 GLU- HB2     3.40 50700.0  
HA     49 GLU- HB3     3.50 47160.0  
HA     49 GLU- QG      5.20 11035.0*2
HA     50 ASP- HN      3.70 30780.0  
HA     50 ASP- HA      4.90  5682.0  
HA     50 ASP- HB2     5.10  4346.0  
HA     51 LYS+ HN      5.30 11120.0  
HB2    49 GLU- QG      4.50 50650.0*2
HB2    50 ASP- HN      4.30 13170.0  
HB2    50 ASP- HB3     6.00 28860.0  
HB3    49 GLU- QG      4.60 43595.0*2
HB3    50 ASP- HN      3.80 25870.0  
QG     50 ASP- HN      7.00  3870.5*2
 50 ASP- 
HN     50 ASP- HA      3.90 24100.0  
HN     50 ASP- HB2     3.70 32960.0  
HN     50 ASP- HB3     3.80 26440.0  
HN     51 LYS+ HN      3.50 46720.0  
HN     51 LYS+ HA      6.00  1495.0  
HA     50 ASP- HB2     3.40 55850.0  
HA     50 ASP- HB3     3.40 49830.0  
HA     51 LYS+ HN      3.90 20980.0  
HB2    51 LYS+ HN      5.00  4743.0  
HB3    51 LYS+ HN      4.90  5760.0  
 51 LYS+ 
HN     51 LYS+ HA      3.80 24840.0  
HN     51 LYS+ HB2     3.50 41860.0  
HN     51 LYS+ HB3     3.90 21080.0  
HN     51 LYS+ QG      5.10 22315.0*2
HN     51 LYS+ QD      6.80  2636.0*2
HN     52 SER  HN      4.80  6331.0  
HA     51 LYS+ HB2     3.40 54370.0  
HA     51 LYS+ HB3     3.50 46680.0  
HA     51 LYS+ QG      5.10 11085.0*2
HA     51 LYS+ QD      4.90 27070.0*2
HA     52 SER  HN      3.00 16600.0  
HB2    51 LYS+ QG      4.90 29755.0*2
HB2    51 LYS+ QD      4.70 38715.0*2
HB2    52 SER  HN      4.30 12800.0  
HB2    58 MET  HN      6.00 18250.0  
HB3    51 LYS+ QG      4.90 29105.0*2
HB3    51 LYS+ QD      5.30 15605.0*2
HB3    52 SER  HN      3.80 24710.0  
QG     51 LYS+ QD      6.50 12597.5*4
QG     52 SER  HN      7.00  2096.5*2
QG     58 MET  HA      7.00      .0*2
QD     52 SER  HN      7.00  5470.0*2
 52 SER  
HN     52 SER  HA      3.70 31210.0  
HN     52 SER  HB2     3.30 63380.0  
HN     52 SER  HB3     3.50 45890.0  
HN     55 SER  HN      6.00  1438.0  
HA     52 SER  HB2     3.40 54180.0  
HA     52 SER  HB3     3.60 35920.0  
HA     53 PRO  HA      5.10  4620.0  
HA     53 PRO  QD      6.10 89050.0*2
HB2    53 PRO  HB3     6.00 21800.0  
HB2    55 SER  HN      5.50  8568.0  
HB3    53 PRO  QG      7.00 11555.0*2
HB3    54 ASP- HN      5.00 16580.0  
HB3    55 SER  HN      6.00  4071.0  
 53 PRO  
HA     53 PRO  HB2     3.20 73280.0  
HA     53 PRO  HB3     3.10 98980.0  
HA     53 PRO  QG      4.30 40470.0*2
HA     53 PRO  QD      5.50 12105.0*2
HA     54 ASP- HN      3.90 21880.0  
HA     55 SER  HN      6.00  3300.0  
HB2    53 PRO  QG      4.20 86550.0*2
HB2    53 PRO  QD      4.00 50850.0*2
HB2    54 ASP- HN      3.70 30070.0  
HB3    53 PRO  QG      3.80 04200.0*2
HB3    53 PRO  QD      4.90 27650.0*2
HB3    54 ASP- HN      4.40 10180.0  
QG     53 PRO  QD      6.70  9007.5*4
QG     54 ASP- HN      7.00  7625.0*2
QD     54 ASP- HN      7.00 29475.0*2
 54 ASP- 
HN     54 ASP- HA      3.50 41620.0  
HN     54 ASP- HB2     3.70 32390.0  
HN     54 ASP- HB3     3.60 37500.0  
HN     55 SER  HN      3.50 40450.0  
HN     55 SER  HA      5.30  3546.0  
HA     54 ASP- HB2     3.30 57800.0  
HA     54 ASP- HB3     3.30 64820.0  
HA     58 MET  QB      7.00      .0*2
HB3    55 SER  HN      4.30 12610.0  
 55 SER  
HN     55 SER  HA      3.60 36150.0  
HN     55 SER  QB      5.50  5345.0*2
HN     58 MET  QB      7.00  3224.0*2
HN     59 LYS+ HN      6.00  5424.0  
HA     55 SER  QB      5.00 19625.0*2
HA     57 GLU- HN      5.80  6662.0  
HA     58 MET  HN      6.00      .0  
HA     58 MET  QB      7.00      .0*2
QB     57 GLU- HN      7.00  3819.0*2
QB     58 MET  HN      7.00  1064.5*2
 56 PRO  
HA     57 GLU- HN      4.40 11140.0  
HA     57 GLU- HA      4.80  6720.0  
HA     58 MET  HN      6.00  2629.0  
HA     59 LYS+ HN      6.00  4440.0  
 57 GLU- 
HN     57 GLU- HA      3.70 32830.0  
HN     57 GLU- HB2     4.00 19810.0  
HN     57 GLU- HB3     4.00 18460.0  
HN     58 MET  HN      4.20 13830.0  
HN     58 MET  QB      5.70  7690.0*2
HN     59 LYS+ HN      5.50  9271.0  
HN     60 ASP- HN      6.00   174.0  
HA     58 MET  HN      4.90  5389.0  
HA     59 LYS+ HN      5.20 12080.0  
HA     60 ASP- HN      5.10 13970.0  
HA     60 ASP- HB2     5.10 14310.0  
HA     60 ASP- HB3     5.10 14820.0  
HA     61 PHE  HN      6.00  2455.0  
HA    105 TYR  CZ      8.00  5510.0*2
 58 MET  
HN     58 MET  HA      4.30 12750.0  
HN     58 MET  QB      4.80 14725.0*2
HN     59 LYS+ HN      4.10 16570.0  
HA     58 MET  QB      7.00      .0*2
HA     59 LYS+ HN      6.00      .0  
HA     61 PHE  HN      6.00      .0  
HA     62 ARG+ HN      6.00      .0  
QB     59 LYS+ HN      5.90  5945.0*2
QB     62 ARG+ HN      7.00  3120.5*2
 59 LYS+ 
HN     59 LYS+ HA      3.70 32080.0  
HN     59 LYS+ HB2     4.00 20550.0  
HN     59 LYS+ HB3     3.70 31600.0  
HN     59 LYS+ QG      5.30 15095.0*2
HN     59 LYS+ QD      5.20 17910.0*2
HN     60 ASP- HN      4.10 17940.0  
HN     61 PHE  HN      5.80  6611.0  
HA     59 LYS+ HB2     4.10 17630.0  
HA     59 LYS+ HB3     3.60 39510.0  
HA     59 LYS+ QG      5.20 10820.0*2
HA     59 LYS+ QD      5.40 12995.0*2
HA     60 ASP- HN      4.80  6369.0  
HA     61 PHE  HN      6.00  3202.0  
HA     62 ARG+ HN      5.60  7691.0  
HA     63 HIS  HN      6.00  3967.0  
HB2    60 ASP- HN      4.20 14670.0  
HB3    59 LYS+ QG      4.90 26795.0*2
HB3    59 LYS+ QD      4.20 01650.0*2
HB3    60 ASP- HN      4.40 11140.0  
QG     59 LYS+ QD      5.60 45725.0*4
QG     60 ASP- HN      7.00  5735.0*2
QD     60 ASP- HN      7.00  7630.0*2
 60 ASP- 
HN     60 ASP- HA      3.70 29440.0  
HN     60 ASP- HB2     3.60 35300.0  
HN     60 ASP- HB3     3.50 44690.0  
HN     61 PHE  HN      3.90 22540.0  
HN    105 TYR  CZ      8.00   728.5*2
HA     60 ASP- HB2     3.60 38480.0  
HA     60 ASP- HB3     3.80 24770.0  
HA     61 PHE  HN      4.10 17360.0  
HA     63 HIS  HN      5.00 16110.0  
HA     63 HIS  HB2     4.50 28680.0  
HA     63 HIS  HB3     4.40 34930.0  
HA     63 HIS  HD1     6.00  4315.0  
HB2    61 PHE  HN      4.50  9182.0  
HB2   105 TYR  CZ      8.00  9535.0*2
HB3    61 PHE  HN      3.40 52400.0  
HB3    61 PHE  QB      7.00 29245.0*2
HB3   105 TYR  CZ      8.00  5950.0*2
 61 PHE  
HN     61 PHE  HA      3.70 29730.0  
HN     61 PHE  QB      4.40 27140.0*2
HN     61 PHE  CG      7.70  2733.5*2
HN     62 ARG+ HN      4.00 18110.0  
HN     63 HIS  HN      6.00  3424.0  
HN    101 TYR  CZ      8.00  1258.0*2
HN    105 TYR  CG      8.00  1055.0*2
HN    105 TYR  CZ      8.00  3201.0*2
HA     61 PHE  QB      5.00 20780.0*2
HA     61 PHE  CG      5.30 16695.0*2
HA     62 ARG+ HN      4.40 10430.0  
HA     62 ARG+ HA      5.20  4085.0  
HA     64 GLY  HN      5.90  6002.0  
HA    101 TYR  CG      8.00  5380.0*2
HA    101 TYR  CZ      8.00 19400.0*2
HA    105 TYR  CG      8.00  9630.0*2
HA    105 TYR  CZ      8.00 16660.0*2
HA    137 LHEM HV4T    4.20 16200.0  
HA    137 LHEM HV4C    6.00 21960.0  
QB     61 PHE  CG      7.90  6922.5*4
QB     62 ARG+ HN      5.80  6105.0*2
QB    105 TYR  CG      9.00  6782.5*4
QB    105 TYR  CZ      9.00  1405.2*4
CG     61 PHE  CZ      8.70  8925.0*4
CG     62 ARG+ HN      8.00  5890.0*2
CG     62 ARG+ HA      8.00  2070.5*2
CG     62 ARG+ QD      9.00  6862.5*4
CG     65 PHE  CG     10.00   659.8*4
CG    101 TYR  CG     10.00  2720.0*4
CG    101 TYR  CZ     10.00  2391.8*4
CG    105 TYR  CG     10.00  2335.8*4
CG    137 LHEM HV4T    8.00  4473.5*2
CG    137 LHEM HV4C    8.00   669.0*2
CZ     62 ARG+ HN      8.00   321.0*2
CZ     62 ARG+ HA      8.00      .0*2
CZ     62 ARG+ QD      9.00  2075.2*4
CZ     65 PHE  CG     10.00  1574.8*4
CZ     65 PHE  CZ     10.00  6995.0*4
CZ     65 PHE  HZ      8.00  4727.0*2
CZ    101 TYR  CG     10.00  5985.0*4
CZ    101 TYR  CZ     10.00  2070.8*4
CZ    105 TYR  CG     10.00 11190.0*4
CZ    137 LHEM HV4T    8.00  6110.0*2
CZ    137 LHEM HV4C    8.00  1808.5*2
CZ    137 LHEM QM5     9.00 17310.0*2
 62 ARG+ 
HN     62 ARG+ HA      3.90 22470.0  
HN     62 ARG+ HB2     4.00 18320.0  
HN     62 ARG+ HB3     4.10 17620.0  
HN     62 ARG+ HG2     4.50 11560.0  
HN     62 ARG+ HG3     4.50 12400.0  
HN     63 HIS  HN      3.60 35670.0  
HN     64 GLY  HN      5.70  7226.0  
HN     65 PHE  CG      8.00  2565.0*2
HA     62 ARG+ HB2     3.90 21880.0  
HA     62 ARG+ HB3     4.00 20730.0  
HA     62 ARG+ HG2     4.30 15680.0  
HA     63 HIS  HN      4.90  5679.0  
HA     65 PHE  HN      5.80  6819.0  
HA     65 PHE  HB2     5.80  6795.0  
HA     65 PHE  CG      7.90 39975.0*2
HA     65 PHE  CZ      8.00  4385.0*2
HB3    62 ARG+ HG2     3.10 11600.0  
HG2    63 HIS  HA      6.00  4973.0  
 63 HIS  
HN     63 HIS  HA      3.90 22190.0  
HN     63 HIS  HB2     3.70 30340.0  
HN     63 HIS  HB3     3.70 29530.0  
HN     63 HIS  HD1     5.10  5874.0  
HN     64 GLY  HN      4.00 20290.0  
HN     65 PHE  HN      6.00  4471.0  
HN     65 PHE  CG      8.00   829.5*2
HN     66 ASP- HN      6.00   636.0  
HA     63 HIS  HB2     3.70 32580.0  
HA     63 HIS  HB3     4.40 11190.0  
HA     63 HIS  HD1     5.70  2696.0  
HA     64 GLY  HN      6.00   903.0  
HA     65 PHE  HN      6.00  1989.0  
HA     66 ASP- HN      5.40  9643.0  
HA     66 ASP- QB      6.20 12240.0*2
HB2    63 HIS  HD1     4.30 15140.0  
HB2    63 HIS  HE1     6.00  2170.0  
HB2    64 GLY  HN      4.90  5594.0  
HB3    63 HIS  HD1     3.40 69590.0  
HB3    64 GLY  HN      4.10 17480.0  
HB3    67 ILE  QD1     7.00 11830.0  
HB3   101 TYR  CG      8.00 12960.0*2
HB3   101 TYR  CZ      8.00 11660.0*2
HD1    63 HIS  HE1     5.40  3820.0  
HD1    67 ILE  HG12    6.00  4380.0  
HD1    67 ILE  HG13    6.00  4468.0  
HE1    67 ILE  QG2     7.00  2959.0  
HE1    67 ILE  HG12    6.00  4829.0  
HE1    67 ILE  HG13    6.00  1214.0  
HE1    67 ILE  QD1     7.00  9483.0  
 64 GLY  
HN     64 GLY  HA1     3.70 31750.0  
HN     64 GLY  HA2     3.30 59690.0  
HN     65 PHE  HN      3.80 24700.0  
HN     65 PHE  CG      8.00  4949.0*2
HN     66 ASP- HN      6.00  3327.0  
HN     97 THR  QG2     7.00   892.0  
HN    101 TYR  CG      8.00 10375.0*2
HN    101 TYR  CZ      8.00  9565.0*2
HN    137 LHEM QM3     7.00  1230.0  
HN    137 LHEM HV4T    6.00  4859.0  
HN    137 LHEM HV4C    6.00  8762.0  
HA1    65 PHE  HN      4.40 11230.0  
HA1    65 PHE  CG      8.00  3672.5*2
HA1    67 ILE  HN      5.90  5567.0  
HA1    67 ILE  HB      5.20 11930.0  
HA1    67 ILE  QD1     7.00 23220.0  
HA1    68 LEU  HN      6.00  5297.0  
HA1    97 THR  QG2     7.00  6560.0  
HA1   101 TYR  CG      8.00  4922.0*2
HA1   101 TYR  CZ      8.00  8390.0*2
HA1   137 LHEM QM3     7.00  3880.0  
HA1   137 LHEM HV4A    5.70 49800.0  
HA1   137 LHEM HV4C    6.00  9707.0  
HA2    65 PHE  HN      4.20 15100.0  
HA2    66 ASP- HN      6.00  2219.0  
HA2    67 ILE  HN      6.00   815.0  
HA2   101 TYR  CG      8.00  5775.0*2
HA2   101 TYR  CZ      8.00  8090.0*2
HA2   137 LHEM QM3     7.00 10420.0  
HA2   137 LHEM HV4T    6.00  9435.0  
HA2   137 LHEM HV4C    6.00 21480.0  
 65 PHE  
HN     65 PHE  HA      3.70 31130.0  
HN     65 PHE  HB2     3.70 30750.0  
HN     65 PHE  HB3     4.10 16770.0  
HN     65 PHE  CG      5.80 35340.0*2
HN     65 PHE  CZ      6.90  2312.5*2
HN     66 ASP- HN      3.60 36840.0  
HN     66 ASP- HA      6.00  1396.0  
HN     66 ASP- QB      6.40  3252.0*2
HN     67 ILE  HN      6.00  4060.0  
HN     68 LEU  HN      6.00  1704.0  
HN     68 LEU  HB2     6.00  2516.0  
HN    137 LHEM QM3     7.00  4880.0  
HN    137 LHEM HV4T    6.00  6947.0  
HN    137 LHEM HV4C    6.00  6124.0  
HA     65 PHE  HB2     3.90 22860.0  
HA     65 PHE  HB3     3.60 37030.0  
HA     65 PHE  CG      4.70 36385.0*2
HA     65 PHE  CZ      6.00  3743.5*2
HA     66 ASP- HN      4.40 11560.0  
HA     67 ILE  HN      6.00  3371.0  
HA     68 LEU  HN      4.60 26250.0  
HA     68 LEU  HB2     4.40 36460.0  
HA     68 LEU  HB3     4.50 29650.0  
HA     68 LEU  QD1     7.00 14140.0  
HA     68 LEU  QD2     7.00 21280.0  
HA    137 LHEM QM3     7.00  1690.0  
HA    137 LHEM HV4C    6.00   991.0  
HB2    65 PHE  CG      5.60 43405.0*2
HB2    65 PHE  CZ      8.00  2089.5*2
HB2    66 ASP- HN      4.20 13990.0  
HB3    65 PHE  CG      5.80 31655.0*2
HB3    65 PHE  CZ      8.00  1132.5*2
HB3    66 ASP- HN      4.20 14150.0  
HB3    68 LEU  HB2     6.00 16070.0  
CG     65 PHE  CZ      7.70 39600.0*4
CG     65 PHE  HZ      7.00  6015.0*2
CG     66 ASP- HN      8.00  6130.0*2
CG     67 ILE  HN      8.00  1179.5*2
CG     68 LEU  HN      8.00  1550.0*2
CG     68 LEU  HB2     8.00  6600.0*2
CG     68 LEU  QD1     9.00  7750.0*2
CG     68 LEU  QD2     9.00 24205.0*2
CG     69 VAL  QG1     9.00  1867.0*2
CG    105 TYR  CG     10.00  2800.0*4
CG    137 LHEM QM3     9.00  7160.0*2
CG    137 LHEM HV4C    8.00  3947.5*2
CZ     65 PHE  HZ      6.40 13540.0*2
CZ     68 LEU  QD1     9.00  2063.5*2
CZ    137 LHEM QM3     9.00  8710.0*2
CZ    137 LHEM HV4T    8.00  4356.0*2
CZ    137 LHEM HV4C    8.00  1084.5*2
HZ    137 LHEM QM3     7.00  2400.0  
 66 ASP- 
HN     66 ASP- HA      3.60 36520.0  
HN     66 ASP- QB      4.70 16840.0*2
HN     67 ILE  HN      3.70 31240.0  
HN     67 ILE  HA      5.30  3684.0  
HN     67 ILE  HB      5.20  4032.0  
HN     67 ILE  QG2     7.00  1588.0  
HA     66 ASP- QB      4.20 35515.0*2
HA     67 ILE  HN      4.50  9000.0  
HA     69 VAL  HN      5.40  9665.0  
HA     69 VAL  HB      5.20 11950.0  
HA     69 VAL  QG1     7.00  9517.0  
HA     69 VAL  QG2     7.00 14340.0  
QB     67 ILE  HN      5.40 11630.0*2
QB     67 ILE  HA      5.50  9200.0*2
 67 ILE  
HN     67 ILE  HA      3.80 27600.0  
HN     67 ILE  HB      3.70 30960.0  
HN     67 ILE  QG2     5.20 17550.0  
HN     67 ILE  HG12    4.00 25250.0  
HN     67 ILE  HG13    4.30 16600.0  
HN     67 ILE  QD1     5.10 19270.0  
HN     68 LEU  HN      3.70 31070.0  
HN     68 LEU  HB2     6.00  1619.0  
HN     97 THR  QG2     7.00  5180.0  
HA     67 ILE  HB      3.80 27460.0  
HA     67 ILE  QG2     4.10 69850.0  
HA     67 ILE  HG12    3.80 35470.0  
HA     67 ILE  QD1     4.40 45650.0  
HA     68 LEU  HN      3.90 21790.0  
HA     70 GLY  HN      5.20 12990.0  
HA     97 THR  QG2     7.00  5201.0  
HB     67 ILE  QG2     4.10 74220.0  
HB     67 ILE  HG12    4.10 21590.0  
HB     67 ILE  HG13    4.10 21460.0  
HB     67 ILE  QD1     4.50 43710.0  
HB     68 LEU  HN      3.60 38000.0  
HB     97 THR  QG2     7.00 27580.0  
QG2    67 ILE  HG12    4.60 35900.0  
QG2    68 LEU  HN      7.00 18390.0  
QG2    68 LEU  HA      7.00 28010.0  
QG2    68 LEU  QD1     8.00  3227.0  
QG2    68 LEU  QD2     8.00  2735.0  
QG2    71 GLN  HG2     7.00 13150.0  
QG2    71 GLN  HE21    7.00  7966.0  
QG2    71 GLN  HE22    7.00  7607.0  
QG2    97 THR  QG2     6.80 71370.0  
QG2   101 TYR  CZ      9.00  8550.0*2
HG12   67 ILE  QD1     4.00 83650.0  
HG12   68 LEU  HN      6.00  3262.0  
HG12   68 LEU  QD1     7.00   497.0  
HG12   68 LEU  QD2     7.00  1019.0  
HG12   97 THR  QG2     7.00  1343.0  
QD1    68 LEU  HN      7.00 12720.0  
QD1    97 THR  QG2     7.90 30030.0  
QD1   101 TYR  CG      9.00  4939.5*2
QD1   101 TYR  CZ      9.00 15115.0*2
 68 LEU  
HN     68 LEU  HA      3.60 39610.0  
HN     68 LEU  HB2     3.40 52560.0  
HN     68 LEU  HB3     3.50 43470.0  
HN     68 LEU  HG      4.20 18520.0  
HN     68 LEU  QD1     5.50 12200.0  
HN     68 LEU  QD2     5.40 13920.0  
HN     69 VAL  HN      3.90 21750.0  
HN     69 VAL  QG2     7.00 18470.0  
HN     72 ILE  HN      5.80  6159.0  
HN     97 THR  QG2     7.00 16460.0  
HA     68 LEU  HB2     3.70 31800.0  
HA     68 LEU  HB3     3.70 33420.0  
HA     68 LEU  HG      4.00 26100.0  
HA     68 LEU  QD1     4.70 30980.0  
HA     68 LEU  QD2     5.30 15400.0  
HA     69 VAL  HN      4.40 10160.0  
HA     70 GLY  HN      6.00  1880.0  
HA     71 GLN  HN      5.00 15010.0  
HA     71 GLN  HG3     6.00 15970.0  
HA     72 ILE  HN      6.00  4663.0  
HA     94 LEU  QD1     7.00  7835.0  
HA     94 LEU  QD2     6.80 32390.0  
HA     97 THR  QG2     5.40 05600.0  
HB2    68 LEU  QD1     4.70 32670.0  
HB2    68 LEU  QD2     4.40 51540.0  
HB2    69 VAL  HN      3.70 32270.0  
HB2    72 ILE  QD1     5.30 20300.0  
HB2    97 THR  QG2     7.00  6936.0  
HB2   137 LHEM HAM     6.00 15520.0  
HB2   137 LHEM QM3     7.00  1870.0  
HB3    68 LEU  HG      3.80 31130.0  
HB3    68 LEU  QD1     4.50 44360.0  
HB3    68 LEU  QD2     4.60 37960.0  
HB3    69 VAL  HN      4.30 13290.0  
HB3    70 GLY  HN      6.00  4063.0  
HB3    94 LEU  QD2     6.10 58640.0  
HB3    97 THR  QG2     7.00 22620.0  
HB3   137 LHEM QM3     7.00 11440.0  
HG     68 LEU  QD1     4.20 66380.0  
HG     68 LEU  QD2     3.90 93310.0  
HG     72 ILE  HN      6.00  6479.0  
HG     72 ILE  QD1     6.20 53700.0  
HG     97 THR  QG2     7.00 14220.0  
QD1    69 VAL  HN      7.00  4253.0  
QD1    69 VAL  HB      7.00 21190.0  
QD1    71 GLN  HN      7.00  2420.0  
QD1    71 GLN  HG2     7.00 10190.0  
QD1    71 GLN  HG3     7.00 10710.0  
QD1    94 LEU  HN      7.00   817.0  
QD1    94 LEU  HA      7.00  8625.0  
QD1    94 LEU  HB2     6.60 38850.0  
QD1    94 LEU  HB3     7.00 19320.0  
QD1    94 LEU  HG      7.00 10500.0  
QD1    94 LEU  QD1     7.70 34880.0  
QD1    94 LEU  QD2     6.90 70200.0  
QD1    97 THR  HN      7.00  3963.0  
QD1    97 THR  HB      6.10 56240.0  
QD1    97 THR  QG2     7.40 44890.0  
QD1    98 CYSS HN      7.00  8056.0  
QD1   101 TYR  CG      9.00   849.5*2
QD1   101 TYR  CZ      9.00   968.5*2
QD1   137 LHEM HT2A    7.00 23240.0  
QD1   137 LHEM HAM     7.00 21680.0  
QD1   137 LHEM QM3     6.40 45920.0  
QD2    69 VAL  HN      7.00  6137.0  
QD2    69 VAL  QG2     8.00 19670.0  
QD2    94 LEU  HN      7.00   857.0  
QD2    94 LEU  HA      7.00  7866.0  
QD2    94 LEU  HB2     7.00 10340.0  
QD2    94 LEU  HB3     7.00  6659.0  
QD2    94 LEU  QD1     8.00 16740.0  
QD2    94 LEU  QD2     7.50 42400.0  
QD2    97 THR  HN      7.00  5371.0  
QD2    97 THR  QG2     8.00 26590.0  
QD2    98 CYSS HN      7.00  6882.0  
QD2   137 LHEM HT2A    6.70 36780.0  
QD2   137 LHEM HAM     7.00 10880.0  
QD2   137 LHEM QM3     6.30 50380.0  
 69 VAL  
HN     69 VAL  HA      3.80 27270.0  
HN     69 VAL  HB      3.40 51850.0  
HN     69 VAL  QG1     4.70 31260.0  
HN     69 VAL  QG2     4.30 54430.0  
HN     70 GLY  HN      3.80 25340.0  
HN     71 GLN  HN      6.00  4771.0  
HN     72 ILE  QD1     7.00  3149.0  
HA     69 VAL  QG1     4.30 55550.0  
HA     69 VAL  QG2     3.90 94140.0  
HA     71 GLN  HN      6.00  2468.0  
HA     72 ILE  HN      4.70 22900.0  
HA     72 ILE  HB      4.10 53200.0  
HA     72 ILE  QG2     6.40 45370.0  
HA     72 ILE  QD1     6.50 40920.0  
HA     73 ASP- HN      5.60  8408.0  
HB     69 VAL  QG2     3.80 26400.0  
QG1    70 GLY  HN      7.00 26220.0  
QG1    73 ASP- HN      7.00  3844.0  
QG2    70 GLY  HN      7.00 16780.0  
QG2    73 ASP- HN      7.00  2722.0  
 70 GLY  
HN     70 GLY  HA1     3.80 25050.0  
HN     70 GLY  HA2     3.60 39800.0  
HN     71 GLN  HN      3.90 21580.0  
HN     71 GLN  QB      6.30  3631.0*2
HN     72 ILE  HN      5.40 10360.0  
HA1    71 GLN  HN      4.70  7238.0  
HA1    72 ILE  HN      6.00  3137.0  
HA1    73 ASP- HB2     5.80  6460.0  
HA2    71 GLN  HN      4.50  9203.0  
HA2    73 ASP- HB2     6.00  4512.0  
 71 GLN  
HN     71 GLN  HA      3.80 27080.0  
HN     71 GLN  QB      4.90 12875.0*2
HN     71 GLN  HG2     3.90 27120.0  
HN     71 GLN  HG3     3.20 95120.0  
HN     72 ILE  HN      3.80 27800.0  
HN     73 ASP- HN      6.00  2784.0  
HN     74 ASP- HN      6.00  2501.0  
HN     94 LEU  QD2     7.00  9389.0  
HA     71 GLN  QB      4.60 35655.0*2
HA     71 GLN  HG2     4.30 14780.0  
HA     71 GLN  HG3     4.00 25690.0  
HA     72 ILE  HN      4.90  5731.0  
HA     74 ASP- HN      5.00 16200.0  
HA     74 ASP- HB2     4.30 37580.0  
HA     74 ASP- HB3     5.20 11900.0  
HA     94 LEU  QD1     7.00  4831.0  
HA     94 LEU  QD2     7.00  8147.0  
QB     71 GLN  HG3     4.00 45400.0*2
QB     72 ILE  HN      5.00 18000.0*2
QB     94 LEU  QD2     7.20 54150.0*2
HG2    71 GLN  HE21    5.60  3260.0  
HG2    71 GLN  HE22    5.80  2665.0  
HG2    94 LEU  QD2     7.00 10940.0  
HG3    71 GLN  HE22    4.10 19580.0  
HG3    72 ILE  HN      6.00 27650.0  
HG3    94 LEU  QD1     7.00  9163.0  
HG3    94 LEU  QD2     6.10 59120.0  
HE21   94 LEU  QD2     7.00  6182.0  
HE22   94 LEU  HA      6.00  6083.0  
HE22   94 LEU  QD2     7.00  2298.0  
HE22   97 THR  HB      6.00  2821.0  
 72 ILE  
HN     72 ILE  HA      3.70 29300.0  
HN     72 ILE  HB      3.30 62660.0  
HN     72 ILE  QG2     4.80 29320.0  
HN     72 ILE  QD1     5.20 18580.0  
HN     73 ASP- HN      3.60 38730.0  
HN     74 ASP- HN      6.00  4892.0  
HN     94 LEU  QD2     7.00 15910.0  
HA     72 ILE  HB      3.90 21020.0  
HA     72 ILE  QG2     3.60 72400.0  
HA     72 ILE  QD1     5.20 17310.0  
HA     73 ASP- HN      4.50  8913.0  
HA     74 ASP- HN      5.80  6695.0  
HA     75 ALA  HN      5.00 15690.0  
HA     75 ALA  QB      4.20 81090.0  
HA     76 LEU  HN      5.50  8517.0  
HA     94 LEU  HB2     5.90 39930.0  
HA     94 LEU  QD1     7.00 25280.0  
HA     94 LEU  QD2     7.00 21260.0  
HB     72 ILE  QD1     4.50 44520.0  
HB     73 ASP- HN      3.70 31360.0  
QG2    72 ILE  QD1     4.90 97940.0  
QG2    73 ASP- HN      7.00 24820.0  
QG2    73 ASP- HA      5.70 81170.0  
QG2    94 LEU  QD1     7.10 58800.0  
QD1    73 ASP- HN      7.00  6211.0  
 73 ASP- 
HN     73 ASP- HA      3.70 33700.0  
HN     73 ASP- HB2     3.90 22000.0  
HN     73 ASP- HB3     3.90 21240.0  
HN     74 ASP- HN      4.00 19260.0  
HN     75 ALA  HN      6.00  2586.0  
HN     76 LEU  HN      6.00  4822.0  
HA     73 ASP- HB2     3.90 22740.0  
HA     73 ASP- HB3     3.60 33950.0  
HA     74 ASP- HN      4.70  7703.0  
HA     76 LEU  HN      4.80 20010.0  
HA     76 LEU  HB2     4.20 48820.0  
HA     77 LYS+ HN      5.10 14330.0  
HB2    74 ASP- HN      4.10 17390.0  
HB3    74 ASP- HN      4.20 15270.0  
HB3    74 ASP- HA      4.70  7560.0  
HB3    74 ASP- HB2     5.30 73370.0  
 74 ASP- 
HN     74 ASP- HA      3.70 32490.0  
HN     74 ASP- HB2     3.50 46170.0  
HN     74 ASP- HB3     3.70 29040.0  
HN     75 ALA  HN      3.40 54080.0  
HN     76 LEU  HN      5.70  7180.0  
HA     74 ASP- HB2     3.50 42370.0  
HA     74 ASP- HB3     3.40 54770.0  
HA     75 ALA  HN      4.60  7780.0  
HA     76 LEU  HN      6.00  2129.0  
HA     77 LYS+ HN      4.90 17260.0  
HA     78 LEU  HN      6.00  4426.0  
HB2    75 ALA  HN      3.70 29440.0  
HB2    78 LEU  HG      6.00 13780.0  
HB3    75 ALA  HN      4.40 10760.0  
HB3    75 ALA  HA      5.10  4461.0  
HB3    75 ALA  QB      7.00  6774.0  
HB3    76 LEU  HN      6.00   966.0  
 75 ALA  
HN     75 ALA  HA      3.40 51320.0  
HN     75 ALA  QB      3.60 31300.0  
HN     76 LEU  HN      3.40 49110.0  
HN     76 LEU  HA      5.60  2529.0  
HN     76 LEU  HB2     4.40 11550.0  
HN     78 LEU  QD1     7.00  4855.0  
HN     78 LEU  QD2     7.00  7811.0  
HA     75 ALA  QB      3.40 44200.0  
HA     76 LEU  HN      4.40 11380.0  
HA     78 LEU  QD1     6.00 62620.0  
HA     78 LEU  QD2     7.00 24030.0  
QB     76 LEU  HN      4.10 53730.0  
QB     76 LEU  HB3     5.60 89740.0  
QB     91 ALA  HN      7.00 21780.0  
QB     91 ALA  HA      7.00 21450.0  
 76 LEU  
HN     76 LEU  HA      3.50 41410.0  
HN     76 LEU  HB2     3.20 70320.0  
HN     76 LEU  HB3     3.70 29280.0  
HN     76 LEU  HG      3.60 44090.0  
HN     76 LEU  QD1     5.50 13000.0  
HN     76 LEU  QD2     4.50 41770.0  
HN     77 LYS+ HN      3.50 42310.0  
HN     78 LEU  HN      6.00  4834.0  
HN     79 ALA  HN      6.00  3314.0  
HA     76 LEU  HB2     3.40 53850.0  
HA     76 LEU  HB3     3.50 40600.0  
HA     76 LEU  HG      3.60 43790.0  
HA     76 LEU  QD1     4.50 40000.0  
HA     76 LEU  QD2     4.10 73850.0  
HA     77 LYS+ HN      4.30 13160.0  
HA     78 LEU  HN      6.00  3604.0  
HA     79 ALA  HN      4.50 29320.0  
HA     79 ALA  QB      4.00 04600.0  
HA     80 ASN  HN      5.00 15080.0  
HA     80 ASN  HB3     6.00  2998.0  
HA     87 ALA  QB      7.00 19400.0  
HB2    76 LEU  HG      2.90 84900.0  
HB2    76 LEU  QD1     5.00 22200.0  
HB2    76 LEU  QD2     3.50 94200.0  
HB2    77 LYS+ HN      3.60 36340.0  
HB3    76 LEU  QD1     4.50 40700.0  
HB3    76 LEU  QD2     3.50 86800.0  
HB3    77 LYS+ HN      4.30 12260.0  
HG     76 LEU  QD1     5.20 17960.0  
QD1    77 LYS+ HN      7.00  5365.0  
QD1    79 ALA  HN      7.00  8654.0  
QD1    80 ASN  HN      7.00  4767.0  
QD2    77 LYS+ HN      6.80 33830.0  
QD2    79 ALA  HN      7.00 10790.0  
QD2    79 ALA  QB      5.60 44100.0  
QD2    80 ASN  HN      7.00 21230.0  
QD2    80 ASN  HB2     6.10 55790.0  
QD2    80 ASN  HB3     7.00 19090.0  
 77 LYS+ 
HN     77 LYS+ HA      3.20 73570.0  
HN     77 LYS+ QB      3.80 79050.0*2
HN     77 LYS+ QG      5.70  9380.0*2
HN     77 LYS+ QD      5.20 17295.0*2
HN     77 LYS+ QE      6.40  3925.0*2
HN     78 LEU  HN      3.40 55090.0  
HN     79 ALA  HN      5.20 11900.0  
HN     80 ASN  HN      6.00  2274.0  
HA     77 LYS+ QB      4.40 53800.0*2
HA     77 LYS+ QG      4.80 19015.0*2
HA     77 LYS+ QE      5.10 19645.0*2
HA     78 LEU  HN      3.50 41600.0  
HA     79 ALA  HN      5.20 11930.0  
HA     80 ASN  HN      4.80 21470.0  
HA     80 ASN  HB2     4.70 24490.0  
HA     80 ASN  HB3     4.60 25180.0  
HA     80 ASN  HD21    6.00  9402.0  
HA     81 GLU- HN      6.00  3775.0  
QB     77 LYS+ QG      5.80 34225.0*4
QB     77 LYS+ QD      5.80 32175.0*4
QB     77 LYS+ QE      6.90  6720.0*4
QB     78 LEU  HN      4.60 36580.0*2
QB     80 ASN  HN      6.60  8450.0*2
QG     77 LYS+ QD      5.60 45875.0*4
QG     77 LYS+ QE      6.00 23825.0*4
QG     78 LEU  HN      7.00 17820.0*2
QG     78 LEU  QD1     7.40 46475.0*2
QG     81 GLU- HB2     7.00 27950.0*2
QD     77 LYS+ QE      5.90 27200.0*4
QD     78 LEU  HN      7.00  2620.5*2
 78 LEU  
HN     78 LEU  HA      3.60 37080.0  
HN     78 LEU  HB2     3.40 52360.0  
HN     78 LEU  HB3     3.30 62950.0  
HN     78 LEU  HG      3.40 64940.0  
HN     78 LEU  QD1     4.60 37350.0  
HN     78 LEU  QD2     4.30 55870.0  
HN     79 ALA  HN      3.40 49090.0  
HN     80 ASN  HN      5.20 11930.0  
HN     81 GLU- HN      5.00 16370.0  
HA     78 LEU  HB2     3.60 36980.0  
HA     78 LEU  HB3     3.20 74200.0  
HA     78 LEU  HG      3.10 05100.0  
HA     78 LEU  QD1     4.80 29130.0  
HA     78 LEU  QD2     3.80 27100.0  
HA     79 ALA  HN      4.40 10860.0  
HA     80 ASN  HN      6.00  3527.0  
HA     81 GLU- HN      5.60  8051.0  
HA     81 GLU- HB2     5.20 13260.0  
HA     81 GLU- HB3     4.90 18690.0  
HA     82 GLY  HN      6.00  1229.0  
HB2    78 LEU  HG      3.00 29600.0  
HB2    78 LEU  QD1     4.30 57090.0  
HB2    78 LEU  QD2     4.10 75770.0  
HB2    79 ALA  HN      3.70 32950.0  
HB2    83 LYS+ QG      6.60 52800.0*2
HB3    78 LEU  HG      3.10 06300.0  
HB3    78 LEU  QD1     3.80 10600.0  
HB3    78 LEU  QD2     3.70 37700.0  
HB3    79 ALA  HN      4.30 11730.0  
HB3    80 ASN  HN      5.00 16480.0  
HB3    83 LYS+ HN      6.00 19280.0  
HG     78 LEU  QD1     3.40 29700.0  
HG     78 LEU  QD2     3.40 65400.0  
HG     79 ALA  HN      6.00 30200.0  
QD1    79 ALA  HN      7.00  9304.0  
QD1    86 GLU- HG2     7.00 10080.0  
QD1    87 ALA  HN      7.00 11480.0  
QD1    87 ALA  HA      6.40 45500.0  
QD1    90 ALA  HN      7.00  6697.0  
QD2    79 ALA  HN      7.00 13500.0  
QD2    83 LYS+ QE      8.00 11180.0*2
QD2    87 ALA  HN      7.00 10520.0  
 79 ALA  
HN     79 ALA  HA      3.60 39470.0  
HN     79 ALA  QB      3.70 07300.0  
HN     80 ASN  HN      3.60 37150.0  
HN     81 GLU- HN      5.70  6950.0  
HN     82 GLY  HN      6.00   883.0  
HN     87 ALA  QB      6.90 31810.0  
HA     79 ALA  QB      3.40 47500.0  
HA     80 ASN  HN      4.10 16820.0  
HA     80 ASN  HA      5.30  3508.0  
HA     81 GLU- HN      6.00  5084.0  
HA     82 GLY  HN      5.00 16090.0  
HA     83 LYS+ HN      5.00 15900.0  
HA     84 VAL  HN      6.00   349.0  
HA     84 VAL  HA      3.80 21560.0  
HA     84 VAL  QG2     7.00 19910.0  
HA     87 ALA  QB      6.10 55430.0  
QB     80 ASN  HN      4.20 45960.0  
QB     80 ASN  HA      5.50  9472.0  
QB     80 ASN  HB2     6.90 31800.0  
QB     81 GLU- HN      5.90  9852.0  
QB     84 VAL  HA      7.00 26830.0  
QB     84 VAL  QG1     8.00 23500.0  
 80 ASN  
HN     80 ASN  HA      3.50 44740.0  
HN     80 ASN  HB2     3.60 38220.0  
HN     80 ASN  HB3     3.10 84460.0  
HN     80 ASN  HD21    4.80  8477.0  
HN     81 GLU- HN      3.60 38580.0  
HN     82 GLY  HN      5.80  6242.0  
HN     83 LYS+ HN      5.40 10540.0  
HA     80 ASN  HB2     3.20 79860.0  
HA     80 ASN  HB3     3.40 49200.0  
HA     80 ASN  HD21    5.50  3516.0  
HA     80 ASN  HD22    6.00  2027.0  
HA     81 GLU- HN      4.10 16120.0  
HA     82 GLY  HN      5.20 12960.0  
HB2    80 ASN  HD21    3.90 26400.0  
HB2    80 ASN  HD22    3.70 39330.0  
HB2    81 GLU- HN      3.90 22020.0  
HB3    80 ASN  HD21    3.50 50700.0  
HB3    80 ASN  HD22    3.70 39670.0  
HB3    81 GLU- HN      3.90 24200.0  
 81 GLU- 
HN     81 GLU- HA      3.70 30600.0  
HN     81 GLU- HB2     3.70 32750.0  
HN     81 GLU- HB3     3.70 30420.0  
HN     81 GLU- HG2     4.10 20620.0  
HN     81 GLU- HG3     3.80 34500.0  
HN     82 GLY  HN      3.40 50680.0  
HN     82 GLY  HA1     5.00  4966.0  
HN     83 LYS+ HN      5.30 10990.0  
HN     83 LYS+ QB      6.70  7590.0*2
HA     81 GLU- HB2     3.10 84590.0  
HA     81 GLU- HG2     3.20 88890.0  
HA     82 GLY  HN      4.10 17730.0  
HA     82 GLY  HA2     6.00  1625.0  
HA     83 LYS+ HN      4.80 19810.0  
HB2    81 GLU- HG2     3.20 86360.0  
HB2    81 GLU- HG3     3.50 54300.0  
HB2    82 GLY  HN      4.70  7174.0  
HB2    83 LYS+ HN      6.00   558.0  
HB3    82 GLY  HN      4.60  7878.0  
HB3    83 LYS+ HN      5.60  8083.0  
HB3    83 LYS+ QG      7.00  7640.0*2
HG2    82 GLY  HN      6.00  6440.0  
 82 GLY  
HN     82 GLY  HA1     3.50 45600.0  
HN     82 GLY  HA2     3.20 72680.0  
HN     83 LYS+ HN      3.50 44570.0  
HN     83 LYS+ QG      7.00  4556.0*2
HN     84 VAL  HN      6.00  1079.0  
HN     84 VAL  QG2     7.00 13060.0  
HA1    83 LYS+ HN      4.30 12100.0  
HA1    84 VAL  QG2     7.00 12970.0  
HA2    83 LYS+ HN      4.30 12320.0  
 83 LYS+ 
HN     83 LYS+ HA      3.90 23320.0  
HN     83 LYS+ QB      5.10  9060.0*2
HN     83 LYS+ QG      5.20 18880.0*2
HN     83 LYS+ QD      5.50 11085.0*2
HN     84 VAL  HN      4.50  9651.0  
HN     84 VAL  QG2     7.00  9226.0  
HN     86 GLU- HN      6.00   934.0  
HA     83 LYS+ QB      4.50 42745.0*2
HA     83 LYS+ QG      4.20 42925.0*2
HA     83 LYS+ QD      7.00  1884.0*2
HA     84 VAL  HN      3.20 80220.0  
HA     84 VAL  QG1     7.00  7142.0  
HA     84 VAL  QG2     7.00 18630.0  
HA     85 LYS+ HN      5.40  9547.0  
HA     86 GLU- HN      6.00  2040.0  
QB     86 GLU- HN      6.90  5915.0*2
QB     87 ALA  HN      6.80  6615.0*2
QG     83 LYS+ QD      6.20 17370.0*4
QG     83 LYS+ QE      6.10 20965.0*4
QG     86 GLU- HG3     7.00  7030.0*2
QD     83 LYS+ QE      8.00  2087.5*4
 84 VAL  
HN     84 VAL  HA      3.40 52970.0  
HN     84 VAL  HB      3.10 98840.0  
HN     84 VAL  QG1     4.80 30320.0  
HN     84 VAL  QG2     3.90 96450.0  
HN     85 LYS+ HN      3.60 38490.0  
HN     86 GLU- HN      6.00  3014.0  
HA     84 VAL  HB      3.30 66390.0  
HA     84 VAL  QG1     3.70 28700.0  
HA     84 VAL  QG2     3.80 10900.0  
HA     85 LYS+ HN      4.00 18430.0  
HA     86 GLU- HN      6.00  4735.0  
HA     87 ALA  HN      5.20 12030.0  
HA     87 ALA  QB      4.10 96430.0  
HA     88 GLN  HG3     6.00 37250.0  
HB     84 VAL  QG1     3.40 72200.0  
HB     84 VAL  QG2     3.40 24200.0  
HB     85 LYS+ HN      3.40 52010.0  
QG1    85 LYS+ HN      6.60 39590.0  
QG1    85 LYS+ HA      7.00  5803.0  
QG1    88 GLN  HN      7.00  3471.0  
QG1    88 GLN  HG2     7.00 26850.0  
QG1    88 GLN  HE21    7.00  4393.0  
QG1    88 GLN  HE22    7.00  8829.0  
QG2    85 LYS+ HN      6.90 30320.0  
QG2    85 LYS+ HA      7.00  1826.0  
QG2    88 GLN  HN      7.00  3442.0  
 85 LYS+ 
HN     85 LYS+ HA      3.80 28040.0  
HN     85 LYS+ HB2     3.10 89660.0  
HN     85 LYS+ HB3     3.30 60410.0  
HN     85 LYS+ QG      5.20 16875.0*2
HN     85 LYS+ QD      5.00 23020.0*2
HN     86 GLU- HN      3.50 47560.0  
HN     86 GLU- QB      4.80 26185.0*2
HN     88 GLN  HN      4.60 25360.0  
HA     85 LYS+ HB2     3.60 37760.0  
HA     85 LYS+ HB3     3.40 51070.0  
HA     85 LYS+ QG      4.60 23025.0*2
HA     85 LYS+ QD      5.20 17085.0*2
HA     86 GLU- HN      4.20 13900.0  
HA     87 ALA  HN      6.00  1425.0  
HA     88 GLN  HN      4.90 18630.0  
HA     89 ALA  HN      6.00  4033.0  
HB2    85 LYS+ QG      4.30 80650.0*2
HB2    85 LYS+ QD      4.20 92800.0*2
HB2    86 GLU- HN      3.80 25560.0  
HB3    85 LYS+ QG      4.90 29890.0*2
HB3    85 LYS+ QD      3.80 16650.0*2
HB3    86 GLU- HN      3.80 25840.0  
QG     85 LYS+ QD      5.40 64200.0*4
QG     85 LYS+ QE      7.80  2550.0*4
QG     86 GLU- HN      7.00  4539.0*2
QG     88 GLN  HN      7.00  5405.0*2
QD     85 LYS+ QE      7.20  4787.5*4
QD     86 GLU- HN      7.00  1811.0*2
 86 GLU- 
HN     86 GLU- HA      3.70 31640.0  
HN     86 GLU- QB      4.30 32915.0*2
HN     86 GLU- HG2     4.30 15740.0  
HN     86 GLU- HG3     4.00 24960.0  
HN     87 ALA  HN      3.70 30840.0  
HN     87 ALA  QB      5.30 12190.0  
HN     88 GLN  HN      5.60  8181.0  
HN     89 ALA  HN      6.00  2831.0  
HA     86 GLU- QB      4.40 51750.0*2
HA     86 GLU- HG2     3.40 70480.0  
HA     86 GLU- HG3     3.50 50160.0  
HA     87 ALA  HN      4.20 13650.0  
HA     89 ALA  HN      4.90 18040.0  
HA     89 ALA  QB      4.00 09500.0  
HA     90 ALA  HN      5.00 16850.0  
QB     86 GLU- HG2     4.40 63750.0*2
QB     87 ALA  HN      5.40 10965.0*2
QB     89 ALA  QB      8.00  4541.5*2
HG2    87 ALA  HN      6.00  6171.0  
 87 ALA  
HN     87 ALA  HA      3.90 22760.0  
HN     87 ALA  QB      3.70 12900.0  
HN     88 GLN  HN      3.90 21870.0  
HA     87 ALA  QB      3.40 68800.0  
HA     88 GLN  HN      4.30 12830.0  
HA     91 ALA  HN      5.90  5801.0  
QB     88 GLN  HN      4.20 52350.0  
QB     88 GLN  HG2     7.00 10980.0  
 88 GLN  
HN     88 GLN  HA      3.70 32430.0  
HN     88 GLN  QB      4.50 21775.0*2
HN     88 GLN  HG2     3.70 41810.0  
HN     88 GLN  HG3     3.50 56220.0  
HN     89 ALA  HN      3.70 28990.0  
HN     90 ALA  HN      6.00  3074.0  
HN     91 ALA  HN      6.00  2294.0  
HA     88 GLN  QB      5.40 10415.0*2
HA     88 GLN  HG2     3.90 28570.0  
HA     88 GLN  HG3     4.20 18600.0  
HA     88 GLN  HE21    5.50  3623.0  
HA     89 ALA  HN      4.70  7462.0  
HA     90 ALA  HN      6.00   832.0  
HA     91 ALA  HN      5.00 15470.0  
HA     91 ALA  QB      4.60 48690.0  
HA     92 GLU- HN      6.00  2305.0  
QB     88 GLN  HE21    5.40 13670.0*2
QB     88 GLN  HE22    5.40 12745.0*2
QB     89 ALA  HN      5.90  5700.0*2
HG2    88 GLN  HE21    4.60 10830.0  
HG2    88 GLN  HE22    4.40 13060.0  
HG2    91 ALA  QB      7.00 12780.0  
 89 ALA  
HN     89 ALA  HA      3.70 29290.0  
HN     89 ALA  QB      3.80 88420.0  
HN     90 ALA  HN      3.50 43550.0  
HN     90 ALA  QB      5.70  7502.0  
HN     91 ALA  HN      5.50  8601.0  
HA     89 ALA  QB      3.60 21400.0  
HA     90 ALA  HN      4.90  5787.0  
HA     91 ALA  HN      6.00  3580.0  
QB     90 ALA  HN      3.90 77110.0  
QB     91 ALA  HN      6.00  9067.0  
 90 ALA  
HN     90 ALA  HA      3.50 44830.0  
HN     90 ALA  QB      3.50 45700.0  
HN     91 ALA  HN      3.50 45420.0  
HN     92 GLU- HN      5.80  6346.0  
HN     93 GLN  HN      6.00   335.0  
HA     90 ALA  QB      3.50 48900.0  
HA     91 ALA  HN      4.30 12300.0  
HA     93 GLN  HN      5.30 10680.0  
HA     93 GLN  HG2     6.00 25330.0  
QB     93 GLN  HN      6.20  7942.0  
 91 ALA  
HN     91 ALA  HA      3.50 40920.0  
HN     91 ALA  QB      3.50 39300.0  
HN     92 GLU- HN      3.60 33780.0  
HN     93 GLN  HN      6.00  5339.0  
HA     91 ALA  QB      3.60 22600.0  
HA     92 GLU- HN      4.60  8527.0  
HA     93 GLN  HN      6.00  3306.0  
HA     94 LEU  HN      5.10 13340.0  
HA     94 LEU  HG      5.20 76600.0  
HA     94 LEU  QD1     6.40 45060.0  
HA     94 LEU  QD2     7.00 22410.0  
QB     92 GLU- HN      4.40 35960.0  
QB     94 LEU  QD1     7.10 57170.0  
QB     94 LEU  QD2     8.00 27570.0  
 92 GLU- 
HN     92 GLU- HA      4.30 12870.0  
HN     92 GLU- HB2     3.80 24510.0  
HN     92 GLU- HB3     3.90 23860.0  
HN     92 GLU- HG2     3.70 39530.0  
HN     92 GLU- HG3     3.70 41940.0  
HN     93 GLN  HN      3.90 23690.0  
HN     93 GLN  HA      5.50  2751.0  
HA     92 GLU- HB2     3.70 31630.0  
HA     92 GLU- HB3     3.50 43110.0  
HA     92 GLU- HG2     4.40 14280.0  
HA     92 GLU- HG3     3.90 28170.0  
HA     93 GLN  HN      5.80  1986.0  
HA     95 LYS+ HB2     5.00 15260.0  
HA     95 LYS+ QD      7.00  7160.0*2
HB2    92 GLU- HG2     3.40 60620.0  
HB2    92 GLU- HG3     3.10 17100.0  
HB2    93 GLN  HN      4.00 19000.0  
HG2    93 GLN  HN      6.00 10170.0  
HG3    93 GLN  HN      5.90 41770.0  
 93 GLN  
HN     93 GLN  HA      3.80 28010.0  
HN     93 GLN  QB      4.30 29040.0*2
HN     93 GLN  HG2     4.20 17770.0  
HN     93 GLN  HG3     4.30 15340.0  
HN     94 LEU  HN      3.70 29360.0  
HN     94 LEU  HA      5.40  3043.0  
HN     94 LEU  HG      6.00 17040.0  
HN     94 LEU  QD1     7.00  1203.0  
HA     93 GLN  QB      4.40 50050.0*2
HA     93 GLN  HG2     3.70 36560.0  
HA     93 GLN  HG3     3.70 36050.0  
HA     94 LEU  HN      4.40 11200.0  
HA     96 THR  HN      4.50 30250.0  
QB     94 LEU  HN      5.00 19265.0*2
QB     96 THR  HN      7.00   541.0*2
HG2    93 GLN  HE21    5.70  2828.0  
HG2    95 LYS+ HN      6.00  3688.0  
HG3    93 GLN  HE21    5.30  4584.0  
 94 LEU  
HN     94 LEU  HA      3.40 51690.0  
HN     94 LEU  HB2     3.60 36070.0  
HN     94 LEU  HB3     4.00 20160.0  
HN     94 LEU  HG      3.50 57620.0  
HN     94 LEU  QD1     4.60 34760.0  
HN     94 LEU  QD2     5.00 22750.0  
HN     95 LYS+ HN      3.60 36340.0  
HN     95 LYS+ QD      7.00  2875.0*2
HN     96 THR  HN      6.00  1890.0  
HA     94 LEU  HB3     3.40 50250.0  
HA     94 LEU  HG      4.10 22230.0  
HA     94 LEU  QD1     4.90 24940.0  
HA     94 LEU  QD2     4.20 68850.0  
HA     95 LYS+ HN      4.10 16990.0  
HA     96 THR  HN      6.00  5045.0  
HA     97 THR  HN      4.90 17230.0  
HA     97 THR  HB      4.60 26290.0  
HA     97 THR  QG2     7.00  4781.0  
HA     98 CYSS HN      5.70  7418.0  
HB2    94 LEU  QD1     4.10 73500.0  
HB2    95 LYS+ HN      3.70 32470.0  
HB3    94 LEU  HG      3.30 73240.0  
HB3    94 LEU  QD1     4.40 50020.0  
HB3    94 LEU  QD2     4.60 37420.0  
HB3    95 LYS+ HN      4.70  7336.0  
HB3    95 LYS+ HA      3.90 21040.0  
HB3    97 THR  HB      6.00  3597.0  
HG     94 LEU  QD1     4.20 59740.0  
HG     94 LEU  QD2     4.30 58830.0  
HG     95 LYS+ HN      6.00  9235.0  
QD2    95 LYS+ HN      7.00  5790.0  
QD2    97 THR  QG2     8.00  6593.0  
 95 LYS+ 
HN     95 LYS+ HA      3.40 50260.0  
HN     95 LYS+ HB2     3.90 21420.0  
HN     95 LYS+ HB3     3.80 28510.0  
HN     95 LYS+ QG      5.20 17770.0*2
HN     95 LYS+ QD      4.90 27360.0*2
HN     96 THR  HN      3.60 34370.0  
HN     96 THR  QG2     7.00  1440.0  
HN     97 THR  HN      4.60 25380.0  
HA     95 LYS+ HB2     3.40 50060.0  
HA     95 LYS+ HB3     3.20 74050.0  
HA     95 LYS+ QG      5.00 13430.0*2
HA     95 LYS+ QD      5.80  8015.0*2
HA     96 THR  HN      4.10 16690.0  
HA     98 CYSS HN      4.40 32350.0  
HA     98 CYSS HB2     4.10 50000.0  
HA     99 ASN  HN      4.90 17110.0  
HB2    96 THR  HN      4.50  9965.0  
HB2    98 CYSS HB3     6.00 22210.0  
HB3    95 LYS+ QG      4.70 38790.0*2
HB3    95 LYS+ QD      4.30 76350.0*2
HB3    96 THR  HN      4.40 10530.0  
 96 THR  
HN     96 THR  HA      3.40 49790.0  
HN     96 THR  HB      3.50 42170.0  
HN     96 THR  QG2     4.70 33760.0  
HN     97 THR  HN      3.40 53260.0  
HN     97 THR  HB      4.30 13190.0  
HN     97 THR  QG2     7.00  1665.0  
HN     98 CYSS HN      4.90 18880.0  
HN     99 ASN  HN      6.00  4211.0  
HN    100 ALA  HN      6.00   883.0  
HA     96 THR  HB      3.80 24470.0  
HA     96 THR  QG2     4.00 87580.0  
HA     97 THR  HN      3.90 21320.0  
HB     96 THR  QG2     4.10 74030.0  
HB     97 THR  HN      4.40 11540.0  
HB     97 THR  HB      6.00  5185.0  
HB     98 CYSS HN      5.60  8153.0  
HB     99 ASN  HB2     6.00 30050.0  
QG2    97 THR  HN      7.00 13530.0  
QG2    97 THR  HB      7.00 10210.0  
QG2    97 THR  QG2     8.00  1203.0  
QG2    99 ASN  HN      7.00  3998.0  
 97 THR  
HN     97 THR  HA      3.30 57030.0  
HN     97 THR  HB      3.20 69590.0  
HN     97 THR  QG2     5.10 20170.0  
HN     98 CYSS HN      3.10 89630.0  
HN     98 CYSS HB2     5.60  2573.0  
HN     99 ASN  HN      5.60  7715.0  
HN    100 ALA  QB      7.00  3122.0  
HA     97 THR  HB      3.10 85400.0  
HA     97 THR  QG2     4.50 43540.0  
HA     98 CYSS HN      3.90 21720.0  
HA    100 ALA  HN      4.60 25120.0  
HA    101 TYR  CG      8.00 11100.0*2
HA    101 TYR  CZ      8.00 38610.0*2
HB     97 THR  QG2     3.40 19500.0  
HB     98 CYSS HN      3.60 38000.0  
QG2    98 CYSS HN      7.00 24430.0  
QG2   100 ALA  HN      7.00  2627.0  
QG2   100 ALA  QB      8.00 14610.0  
QG2   101 TYR  HN      7.00  4281.0  
QG2   101 TYR  HA      7.00  3190.0  
QG2   101 TYR  QB      8.00  2903.5*2
QG2   101 TYR  CG      8.50 42620.0*2
QG2   101 TYR  CZ      8.70 36680.0*2
QG2   105 TYR  CZ      9.00  4545.5*2
QG2   137 LHEM HT2A    7.00 13970.0  
QG2   137 LHEM QT2     6.50 40320.0  
QG2   137 LHEM HAM     7.00  2810.0  
QG2   137 LHEM QM3     6.70 36590.0  
 98 CYSS 
HN     98 CYSS HA      3.60 38000.0  
HN     98 CYSS HB2     3.70 32150.0  
HN     98 CYSS HB3     6.00  1327.0  
HN     99 ASN  HN      3.50 44880.0  
HN     99 ASN  HA      5.40  3013.0  
HN    100 ALA  HN      5.60  7732.0  
HN    101 TYR  CG      8.00  1317.5*2
HN    137 LHEM HT2A    6.00 26600.0  
HN    137 LHEM QT2     6.10 58340.0  
HN    137 LHEM HAM     6.00  3700.0  
HN    137 LHEM QM3     7.00  3110.0  
HA     99 ASN  HN      5.10  4493.0  
HA    100 ALA  HN      5.20 13300.0  
HA    101 TYR  HN      5.70  7193.0  
HA    137 LHEM HT2A    6.00 27160.0  
HB2    99 ASN  HN      3.20 70240.0  
HB2    99 ASN  HA      4.50  9177.0  
HB2   137 LHEM QT2     7.00 11590.0  
HB3    99 ASN  HN      4.30 12560.0  
HB3   137 LHEM QT2     7.00 12830.0  
 99 ASN  
HN     99 ASN  HA      3.50 45950.0  
HN     99 ASN  HB2     3.20 73900.0  
HN     99 ASN  HB3     3.90 23520.0  
HN     99 ASN  HD21    4.80  7557.0  
HN     99 ASN  HD22    5.00  6606.0  
HN    100 ALA  HN      3.30 66710.0  
HN    102 HIS  HN      5.80  6190.0  
HN    137 LHEM QT2     7.00  3544.0  
HA     99 ASN  HB2     3.10 97240.0  
HA     99 ASN  HB3     3.30 67270.0  
HA     99 ASN  HD21    4.90  7263.0  
HA     99 ASN  HD22    6.00  1809.0  
HA    100 ALA  HN      4.10 17460.0  
HA    101 TYR  HN      4.70 22610.0  
HA    102 HIS  HN      5.40 10110.0  
HA    102 HIS  HB2     3.80 79210.0  
HA    102 HIS  HB3     5.40 10130.0  
HA    103 GLN  HN      5.30 11780.0  
HB2    99 ASN  HD21    3.50 54700.0  
HB2    99 ASN  HD22    4.10 22390.0  
HB2   100 ALA  HN      3.50 40610.0  
HB3    99 ASN  HD21    3.70 37150.0  
HB3    99 ASN  HD22    4.20 18240.0  
HB3   100 ALA  HN      3.60 34140.0  
HB3   100 ALA  QB      6.20 53460.0  
100 ALA  
HN    100 ALA  HA      3.30 65210.0  
HN    100 ALA  QB      3.60 35000.0  
HN    101 TYR  HN      3.50 44440.0  
HN    101 TYR  CG      8.00  3221.5*2
HN    101 TYR  CZ      8.00  2121.5*2
HN    102 HIS  HN      4.30 42030.0  
HA    100 ALA  QB      3.40 61600.0  
HA    101 TYR  HN      4.80  6457.0  
HA    101 TYR  CG      8.00  1602.0*2
HA    103 GLN  HN      6.00  2152.0  
HA    103 GLN  HB2     4.60 25240.0  
HA    103 GLN  HB3     5.20 12980.0  
QB    101 TYR  HN      3.80 90830.0  
QB    101 TYR  QB      7.80 33460.0*2
QB    101 TYR  CG      8.10 58800.0*2
QB    101 TYR  CZ      9.00 28835.0*2
QB    102 HIS  HN      6.40  6123.0  
QB    103 GLN  HG2     7.00  5747.0  
101 TYR  
HN    101 TYR  HA      3.70 30970.0  
HN    101 TYR  QB      4.70 16535.0*2
HN    101 TYR  CG      5.90 28140.0*2
HN    101 TYR  CZ      5.50 12340.0*2
HN    102 HIS  HN      3.70 31240.0  
HN    103 GLN  HN      6.00  4512.0  
HN    105 TYR  CG      8.00  4439.0*2
HN    105 TYR  CZ      8.00  2258.5*2
HA    101 TYR  QB      4.90 21310.0*2
HA    101 TYR  CG      5.00 25300.0*2
HA    101 TYR  CZ      5.00 13520.0*2
HA    102 HIS  HN      4.70  7690.0  
HA    103 GLN  HN      5.90  6122.0  
HA    104 LYS+ HN      4.60 27630.0  
HA    104 LYS+ HA      6.00  2720.0  
HA    104 LYS+ QD      7.00 30245.0*2
HA    104 LYS+ QE      7.00  1836.5*2
HA    105 TYR  CG      8.00 10670.0*2
HA    105 TYR  CZ      8.00  7050.0*2
QB    101 TYR  CG      7.30 15652.5*4
QB    101 TYR  CZ      7.70  9575.0*4
QB    102 HIS  HN      6.90  1799.5*2
QB    105 TYR  HN      7.00  3126.0*2
QB    105 TYR  CG      9.00  2685.0*4
QB    105 TYR  CZ      9.00  2530.0*4
QB    137 LHEM QM3     8.00 15315.0*2
CG    101 TYR  CZ      7.30 72050.0*4
CG    103 GLN  HN      8.00   800.0*2
CG    104 LYS+ HN      8.00  4014.5*2
CG    104 LYS+ QD      9.00  2897.5*4
CG    105 TYR  HN      8.00  1436.5*2
CG    105 TYR  HA      8.00  3000.0*2
CG    105 TYR  QB      9.00  1098.8*4
CG    105 TYR  CG     10.00 21490.0*4
CG    105 TYR  CZ     10.00 26500.0*4
CG    137 LHEM QM3     9.00 17770.0*2
CG    137 LHEM HV4T    8.00 12550.0*2
CG    137 LHEM HV4C    8.00  6990.0*2
CZ    104 LYS+ HN      8.00  3734.5*2
CZ    104 LYS+ QD      9.00  1485.0*4
CZ    105 TYR  HA      8.00   852.5*2
CZ    105 TYR  QB      9.00   673.2*4
CZ    105 TYR  CG     10.00 11697.5*4
CZ    105 TYR  CZ     10.00 22887.5*4
CZ    137 LHEM HV4T    8.00  8245.0*2
CZ    137 LHEM HV4C    8.00  3867.5*2
102 HIS  
HN    102 HIS  HA      6.00   423.0  
HN    102 HIS  HB2     3.20 69830.0  
HN    102 HIS  HB3     4.00 18950.0  
HN    103 GLN  HN      3.60 34350.0  
HA    102 HIS  HB2     3.90 21060.0  
HA    102 HIS  HB3     3.50 42470.0  
HA    103 GLN  HN      3.60 39830.0  
HA    106 ARG+ HN      4.30 42510.0  
HB2   103 GLN  HN      3.50 42720.0  
HB2   106 ARG+ HB3     6.00  4960.0  
HB2   106 ARG+ QD      7.00  2560.0*2
HB2   106 ARG+ HE      6.00  1810.0  
HB3   103 GLN  HN      4.10 16240.0  
HB3   106 ARG+ HB3     6.00 22800.0  
HB3   106 ARG+ HE      6.00  2440.0  
103 GLN  
HN    103 GLN  HA      3.30 62150.0  
HN    103 GLN  HB2     3.00 06100.0  
HN    103 GLN  HB3     3.40 51290.0  
HN    103 GLN  HG2     4.00 24040.0  
HN    103 GLN  HG3     3.80 30750.0  
HN    104 LYS+ HN      3.60 34940.0  
HN    104 LYS+ QB      5.70  6840.0*2
HN    104 LYS+ QG      7.00  2888.5*2
HN    104 LYS+ QD      7.00  7545.0*2
HN    105 TYR  HN      4.60 27860.0  
HA    103 GLN  HB2     3.20 77190.0  
HA    103 GLN  HB3     3.20 79640.0  
HA    103 GLN  HG2     4.00 24580.0  
HA    103 GLN  HG3     3.80 30980.0  
HA    104 LYS+ HN      4.00 18460.0  
HA    105 TYR  HN      6.00  2654.0  
HB2   103 GLN  HG2     4.00 24370.0  
HB2   103 GLN  HG3     3.70 41490.0  
HB2   104 LYS+ HN      3.70 28880.0  
HB3   103 GLN  HG2     4.30 15170.0  
HB3   103 GLN  HG3     3.90 28880.0  
HB3   104 LYS+ HN      3.80 26240.0  
HG2   104 LYS+ HN      6.00  2830.0  
104 LYS+ 
HN    104 LYS+ HA      3.60 37690.0  
HN    104 LYS+ QB      4.60 18955.0*2
HN    104 LYS+ QG      5.30 15615.0*2
HN    104 LYS+ QD      4.70 38685.0*2
HN    105 TYR  HN      3.30 58130.0  
HN    105 TYR  HA      5.00  5266.0  
HN    106 ARG+ HN      4.80 20710.0  
HA    104 LYS+ QB      5.10 16110.0*2
HA    104 LYS+ QG      4.50 27135.0*2
HA    104 LYS+ QD      4.60 46325.0*2
HA    105 TYR  HN      4.20 15340.0  
HA    105 TYR  HA      5.90  1925.0  
QB    104 LYS+ QG      6.20 19225.0*4
QB    104 LYS+ QD      5.30 74550.0*4
QB    104 LYS+ QE      7.20  5187.5*4
QB    105 TYR  HN      5.50  9280.0*2
QB    105 TYR  CG      9.00  9292.5*4
QB    105 TYR  CZ      9.00 18582.5*4
QG    104 LYS+ QD      5.30 76500.0*4
QG    104 LYS+ QE      8.00  1350.8*4
QG    105 TYR  HN      7.00  9830.0*2
QG    105 TYR  HA      7.00  1673.0*2
QG    105 TYR  CG      9.00  3002.5*4
QG    105 TYR  CZ      9.00  3017.5*4
QD    104 LYS+ QE      6.80  8062.5*4
QD    105 TYR  HN      7.00 25585.0*2
QD    105 TYR  HA      7.00  2133.5*2
QD    105 TYR  CG      9.00  4220.0*4
QD    105 TYR  CZ      9.00  6945.0*4
105 TYR  
HN    105 TYR  HA      3.60 36130.0  
HN    105 TYR  QB      4.70 17755.0*2
HN    105 TYR  CG      6.30 15510.0*2
HN    105 TYR  CZ      6.70  2856.0*2
HN    106 ARG+ HN      3.10 87450.0  
HN    106 ARG+ HA      6.00      .0  
HA    105 TYR  QB      5.00 19050.0*2
HA    105 TYR  CG      4.30 75300.0*2
HA    105 TYR  CZ      5.20 10905.0*2
HA    106 ARG+ HN      3.80 28310.0  
QB    105 TYR  CG      7.00 23392.5*4
QB    106 ARG+ HN      6.50  2793.5*2
QB    137 LHEM QM5     8.00 11710.0*2
CG    105 TYR  CZ      7.50 57650.0*4
CG    137 LHEM HV4T    8.00 11440.0*2
CG    137 LHEM HV4C    8.00  6230.0*2
CZ    137 LHEM HV4T    8.00  6170.0*2
CZ    137 LHEM HV4C    8.00  3433.0*2
106 ARG+ 
HN    106 ARG+ HA      3.70 33450.0  
HN    106 ARG+ HB3     2.90 33200.0  
HN    137 LHEM QM5     7.00  1860.0  
HB3   106 ARG+ QG      5.40 13720.0*2
HB3   106 ARG+ HE      3.20 96520.0  
HB3   137 LHEM QM5     7.00  4950.0  
HB3   137 LHEM HAP61   6.00 15510.0  
QG    137 LHEM HAP61   7.00 18380.0*2
QG    137 LHEM HAP62   5.60 47350.0*2
QD    106 ARG+ HE      5.00 22495.0*2
`HE    137 LHEM HAP61   6.00  6050.0  
HE    137 LHEM HAP62   6.00  1940.0  
137 LHEM 
HAP71 137 LHEM HAP72   2.40 00000.0  
HAP71 137 LHEM HBP73   4.00 23600.0  
HAP71 137 LHEM HBP74   3.70 42070.0  
HAP71 137 LHEM QM8     3.40 35800.0  
HAP71 137 LHEM HGM     4.10 21270.0  
HAP72 137 LHEM HBP73   3.70 38280.0  
HAP72 137 LHEM HBP74   3.80 33120.0  
HAP72 137 LHEM QM8     4.20 66140.0  
HAP72 137 LHEM HGM     3.10 08600.0  
HAP72 137 LHEM HAP61   4.10 20880.0  
HAP72 137 LHEM HBP64   5.10  5800.0  
HBP73 137 LHEM HBP74   2.60 20700.0  
HBP73 137 LHEM QM8     4.90 24770.0  
HBP73 137 LHEM HAP61   4.80  7860.0  
HBP73 137 LHEM HBP64   6.00  1269.0  
HBP74 137 LHEM QM8     4.70 34250.0  
HBP74 137 LHEM HAP61   5.40  4000.0  
HBP74 137 LHEM HBP64   3.90 28900.0  
QM8   137 LHEM HDM     4.00 87000.0  
QM8   137 LHEM QM1     5.20 16700.0  
HDM   137 LHEM QM1     3.90 98290.0  
QM1   137 LHEM HT2A    4.50 44060.0  
HT2A  137 LHEM QT2     3.90 01900.0  
HT2A  137 LHEM HAM     2.80 22100.0  
HT2A  137 LHEM QM3     4.60 36270.0  
QT2   137 LHEM HAM     4.70 32810.0  
QT2   137 LHEM QM3     5.20 17290.0  
HAM   137 LHEM QM3     3.90 98970.0  
QM3   137 LHEM HV4A    5.60 10960.0  
QM3   137 LHEM HV4T    5.10 20740.0  
QM3   137 LHEM HV4C    3.70 31100.0  
HV4A  137 LHEM HV4T    3.10 04900.0  
HV4A  137 LHEM HV4C    3.60 42840.0  
HV4A  137 LHEM QM5     5.50 13040.0  
HV4T  137 LHEM HV4C    2.60 43100.0  
HBM   137 LHEM QM5     4.00 87790.0  
QM5   137 LHEM HAP61   5.20 17450.0  
QM5   137 LHEM HAP62   4.10 72640.0  
QM5   137 LHEM HBP63   3.90 05000.0  
QM5   137 LHEM HBP64   5.10 19800.0  
HGM   137 LHEM HAP61   3.00 32000.0  
HGM   137 LHEM HAP62   3.80 34610.0  
HAP61 137 LHEM HAP62   2.50 72000.0  
HAP61 137 LHEM HBP63   3.70 39760.0  
HAP61 137 LHEM HBP64   3.70 37360.0  
HAP62 137 LHEM HBP63   2.90 58600.0  
HAP62 137 LHEM HBP64   3.80 30820.0  
HBP63 137 LHEM HBP64   2.70 68000.0  





1D NOE constraints

7 MET
         QE      7 MET  HN		5.00
         QE    137 LHEM QM5		5.00
         QE      3 LEU  QD1		5.00
         QE     40 ALA  QB		5.00
         QE     65 PHE  CG		5.00

7   MET  
         HG2   137 LHEM HBP64	5.00
         HG2   137 LHEM HBP73	5.00
         HG2   137 LHEM HBP74	5.00
         HG2     7 MET  HN		5.00
         HG2     3 LEU  QD1		5.00
         HG2    40 ALA  QB		5.00
         HG2     7 MET  QB		3.00
         HG2     6 ASN  HN		5.00
         HG2     8 GLU- HN		5.00

102 HIS
         HE1   102 HIS  HD1		3.00
         HE1   137 LHEM QM1		6.00
         HE1   137 LHEM QM8		6.00
         HE1   137 LHEM HDM	5.00
         HE1    99 ASN  HA		6.00
         HE1   106 ARG+ QG		5.00

102 HIS
         HD1   102 HIS  HB2		3.00
         HD1   102 HIS  HB3		4.00
         HD1    99 ASN  HA		5.00

Stereospecific assignment for diastereotopic pairs 

H(1/H(2		64 70
H(1/H(2		2 3 5 6 11 12 13 14 25 28 32 39 46 53 63 65 68 73 74 81 85 99 102 103
(-CH3/('-CH3		16 26 69 84
H(1/H(2		46
H(1/H(2		62 71 81 88 92
(-CH3/('-CH3		3 14 30 68 78 94
(NH2			11 13 80 99
(NH2			25 41 71 93
7-H(/7-H('
6-H(/6-H('
7-H(/7-H('
6-H(/6-H('



  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          H1        ALA   1 -17.082  -2.720  -5.109
    2   2H    ALA   1          H2        ALA   1 -16.839  -1.813  -6.472
    3   3H    ALA   1          H3        ALA   1 -16.127  -3.301  -6.330
    4    HA   ALA   1           HA       ALA   1 -14.712  -2.524  -4.566
    5   1HB   ALA   1          1HB       ALA   1 -14.311  -2.295  -6.661
    6   2HB   ALA   1          2HB       ALA   1 -15.181  -0.723  -6.590
    7   3HB   ALA   1          3HB       ALA   1 -13.720  -0.989  -5.576
    8    H    ASP   2           H        ASP   2 -14.536  -0.862  -2.772
    9    HA   ASP   2           HA       ASP   2 -15.992   1.615  -3.311
   10   1HB   ASP   2          2HB       ASP   2 -16.437  -0.116  -0.849
   11   2HB   ASP   2          3HB       ASP   2 -16.892   1.581  -1.014
   12    H    LEU   3           H        LEU   3 -14.764   3.170  -2.779
   13    HA   LEU   3           HA       LEU   3 -11.985   3.029  -2.043
   14   1HB   LEU   3          2HB       LEU   3 -12.600   4.871  -3.297
   15   2HB   LEU   3          3HB       LEU   3 -14.141   5.042  -2.477
   16    HG   LEU   3           HG       LEU   3 -12.807   6.038  -0.497
   17   1HD1  LEU   3          1HD1      LEU   3 -10.493   5.540  -1.332
   18   2HD1  LEU   3          2HD1      LEU   3 -10.814   6.507  -2.789
   19   3HD1  LEU   3          3HD1      LEU   3 -10.790   7.298  -1.200
   20   1HD2  LEU   3          1HD2      LEU   3 -12.955   7.340  -3.231
   21   2HD2  LEU   3          2HD2      LEU   3 -14.345   7.129  -2.133
   22   3HD2  LEU   3          3HD2      LEU   3 -13.004   8.143  -1.635
   23    H    GLU   4           H        GLU   4 -14.876   3.716   0.073
   24    HA   GLU   4           HA       GLU   4 -13.107   4.275   2.249
   25   1HB   GLU   4          2HB       GLU   4 -14.980   4.294   3.603
   26   2HB   GLU   4          3HB       GLU   4 -15.561   4.810   2.015
   27   1HG   GLU   4          2HG       GLU   4 -16.339   2.406   1.650
   28   2HG   GLU   4          3HG       GLU   4 -16.002   2.136   3.372
   29    H    ASP   5           H        ASP   5 -14.570   1.305   1.017
   30    HA   ASP   5           HA       ASP   5 -13.384  -0.539   2.883
   31   1HB   ASP   5          2HB       ASP   5 -14.814  -0.710   0.342
   32   2HB   ASP   5          3HB       ASP   5 -13.452  -1.809   0.334
   33    H    ASN   6           H        ASN   6 -12.037   1.088  -0.106
   34    HA   ASN   6           HA       ASN   6  -9.846  -0.747  -0.281
   35   1HB   ASN   6          2HB       ASN   6  -9.845   2.178  -1.165
   36   2HB   ASN   6          3HB       ASN   6  -8.768   0.908  -1.668
   37   1HD2  ASN   6          2HD2      ASN   6 -10.770  -1.286  -1.978
   38   2HD2  ASN   6          1HD2      ASN   6 -11.567  -0.852  -3.477
   39    H    MET   7           HN       MET   7 -10.514   2.258   1.343
   40    HA   MET   7           HA       MET   7  -7.856   2.868   2.108
   41   1HB   MET   7          2HB       MET   7 -10.659   3.809   2.878
   42   2HB   MET   7          3HB       MET   7  -9.236   4.446   3.647
   43   1HG   MET   7          2HG       MET   7  -9.766   4.414   0.672
   44   2HG   MET   7          3HG       MET   7 -10.024   5.834   1.641
   45   1HE   MET   7          1HE       MET   7  -8.346   4.788  -1.134
   46   2HE   MET   7          2HE       MET   7  -8.374   6.560  -0.868
   47   3HE   MET   7          3HE       MET   7  -6.843   5.666  -0.994
   48    H    GLU   8           H        GLU   8 -10.673   1.442   3.902
   49    HA   GLU   8           HA       GLU   8  -9.151   1.016   6.290
   50   1HB   GLU   8          2HB       GLU   8 -11.304  -0.891   5.300
   51   2HB   GLU   8          3HB       GLU   8 -10.698  -0.642   6.936
   52   1HG   GLU   8          2HG       GLU   8 -11.625   1.856   6.467
   53   2HG   GLU   8          3HG       GLU   8 -12.693   0.938   5.386
   54    H    THR   9           H        THR   9  -9.521  -0.881   3.229
   55    HA   THR   9           HA       THR   9  -8.151  -3.151   4.245
   56    HB   THR   9           HB       THR   9  -8.758  -2.198   1.412
   57    HG1  THR   9           1HG      THR   9  -9.754  -4.283   3.061
   58   1HG2  THR   9          1HG2      THR   9  -7.509  -4.821   2.331
   59   2HG2  THR   9          2HG2      THR   9  -8.201  -4.534   0.722
   60   3HG2  THR   9          3HG2      THR   9  -6.774  -3.620   1.232
   61    H    LEU  10           H        LEU  10  -6.962  -0.064   2.580
   62    HA   LEU  10           HA       LEU  10  -4.475  -1.350   2.190
   63   1HB   LEU  10          2HB       LEU  10  -4.462   1.603   2.776
   64   2HB   LEU  10          3HB       LEU  10  -3.420   0.681   1.707
   65    HG   LEU  10           HG       LEU  10  -6.279   1.477   1.200
   66   1HD1  LEU  10          1HD1      LEU  10  -4.766   3.345   1.191
   67   2HD1  LEU  10          2HD1      LEU  10  -3.738   2.524  -0.012
   68   3HD1  LEU  10          3HD1      LEU  10  -5.390   3.017  -0.433
   69   1HD2  LEU  10          1HD2      LEU  10  -6.085   0.592  -1.015
   70   2HD2  LEU  10          2HD2      LEU  10  -4.333   0.351  -0.857
   71   3HD2  LEU  10          3HD2      LEU  10  -5.459  -0.699   0.028
   72    H    ASN  11           H        ASN  11  -5.920   0.418   4.868
   73    HA   ASN  11           HA       ASN  11  -3.519   0.703   6.431
   74   1HB   ASN  11          2HB       ASN  11  -5.456   2.182   6.683
   75   2HB   ASN  11          3HB       ASN  11  -6.470   0.809   7.179
   76   1HD2  ASN  11          2HD2      ASN  11  -6.883   1.084   9.357
   77   2HD2  ASN  11          1HD2      ASN  11  -5.639   1.517  10.516
   78    H    ASP  12           H        ASP  12  -6.097  -1.786   6.336
   79    HA   ASP  12           HA       ASP  12  -5.297  -3.287   8.609
   80   1HB   ASP  12          2HB       ASP  12  -6.998  -3.671   6.211
   81   2HB   ASP  12          3HB       ASP  12  -6.139  -5.141   6.626
   82    H    ASN  13           H        ASN  13  -4.348  -3.510   5.138
   83    HA   ASN  13           HA       ASN  13  -2.459  -5.598   5.604
   84   1HB   ASN  13          2HB       ASN  13  -2.766  -3.538   3.391
   85   2HB   ASN  13          3HB       ASN  13  -1.555  -4.825   3.391
   86   1HD2  ASN  13          2HD2      ASN  13  -4.819  -4.070   2.700
   87   2HD2  ASN  13          1HD2      ASN  13  -5.381  -5.699   2.457
   88    H    LEU  14           H        LEU  14  -2.101  -1.937   5.731
   89    HA   LEU  14           HA       LEU  14   0.721  -2.008   5.631
   90   1HB   LEU  14          2HB       LEU  14  -1.100  -0.132   5.285
   91   2HB   LEU  14          3HB       LEU  14  -1.019   0.051   7.034
   92    HG   LEU  14           HG       LEU  14   1.347   0.693   6.853
   93   1HD1  LEU  14          1HD1      LEU  14   2.475  -0.320   5.117
   94   2HD1  LEU  14          2HD1      LEU  14   1.025  -0.464   4.125
   95   3HD1  LEU  14          3HD1      LEU  14   1.917   1.067   4.163
   96   1HD2  LEU  14          1HD2      LEU  14  -0.696   2.247   6.290
   97   2HD2  LEU  14          2HD2      LEU  14   0.933   2.809   5.879
   98   3HD2  LEU  14          3HD2      LEU  14  -0.110   2.136   4.617
   99    H    LYS  15           H        LYS  15  -1.697  -2.284   8.167
  100    HA   LYS  15           HA       LYS  15   0.041  -2.132  10.419
  101   1HB   LYS  15          2HB       LYS  15  -2.490  -1.916  10.329
  102   2HB   LYS  15          3HB       LYS  15  -2.597  -3.659  10.106
  103   1HG   LYS  15          2HG       LYS  15  -2.349  -4.029  12.315
  104   2HG   LYS  15          3HG       LYS  15  -0.852  -3.073  12.364
  105   1HD   LYS  15          2HD       LYS  15  -2.193  -0.983  12.447
  106   2HD   LYS  15          3HD       LYS  15  -3.688  -1.956  12.479
  107   1HE   LYS  15          2HE       LYS  15  -2.979  -3.029  14.560
  108   2HE   LYS  15          3HE       LYS  15  -1.413  -2.192  14.491
  109   1HZ   LYS  15          1HZ       LYS  15  -4.033  -0.865  14.775
  110   2HZ   LYS  15          2HZ       LYS  15  -2.949  -1.091  15.991
  111   3HZ   LYS  15          3HZ       LYS  15  -2.573  -0.107  14.727
  112    H    VAL  16           H        VAL  16  -1.298  -4.935   8.571
  113    HA   VAL  16           HA       VAL  16   0.073  -6.948  10.022
  114    HB   VAL  16           HB       VAL  16  -0.988  -6.768   7.185
  115   1HG1  VAL  16          1HG1      VAL  16  -0.698  -9.099   6.826
  116   2HG1  VAL  16          2HG1      VAL  16   0.898  -8.498   7.261
  117   3HG1  VAL  16          3HG1      VAL  16  -0.074  -9.370   8.466
  118   1HG2  VAL  16          1HG2      VAL  16  -1.869  -8.294   9.678
  119   2HG2  VAL  16          2HG2      VAL  16  -2.615  -6.803   9.070
  120   3HG2  VAL  16          3HG2      VAL  16  -2.708  -8.291   8.113
  121    H    ILE  17           H        ILE  17   1.172  -4.980   7.226
  122    HA   ILE  17           HA       ILE  17   3.545  -6.446   6.723
  123    HB   ILE  17           HB       ILE  17   2.687  -3.586   6.157
  124   1HG1  ILE  17          2HG1      ILE  17   3.165  -5.829   4.177
  125   2HG1  ILE  17          3HG1      ILE  17   1.669  -5.775   5.099
  126   1HG2  ILE  17          1HG2      ILE  17   4.619  -3.615   4.473
  127   2HG2  ILE  17          2HG2      ILE  17   5.086  -3.438   6.170
  128   3HG2  ILE  17          3HG2      ILE  17   5.262  -5.006   5.359
  129   1HD1  ILE  17          1HD1      ILE  17   2.660  -3.491   3.358
  130   2HD1  ILE  17          2HD1      ILE  17   1.420  -4.699   2.906
  131   3HD1  ILE  17          3HD1      ILE  17   1.123  -3.562   4.216
  132    H    GLU  18           H        GLU  18   2.956  -3.517   8.735
  133    HA   GLU  18           HA       GLU  18   5.645  -3.164   9.557
  134   1HB   GLU  18          2HB       GLU  18   3.511  -1.662   9.809
  135   2HB   GLU  18          3HB       GLU  18   3.230  -2.562  11.308
  136   1HG   GLU  18          2HG       GLU  18   5.495  -1.898  12.102
  137   2HG   GLU  18          3HG       GLU  18   5.767  -1.025  10.591
  138    H    LYS  19           H        LYS  19   3.054  -5.236  10.719
  139    HA   LYS  19           HA       LYS  19   4.582  -6.146  13.063
  140   1HB   LYS  19          2HB       LYS  19   1.871  -5.765  12.381
  141   2HB   LYS  19          3HB       LYS  19   2.022  -7.506  12.351
  142   1HG   LYS  19          2HG       LYS  19   2.219  -7.639  14.609
  143   2HG   LYS  19          3HG       LYS  19   3.281  -6.221  14.729
  144   1HD   LYS  19          2HD       LYS  19   1.526  -4.686  14.672
  145   2HD   LYS  19          3HD       LYS  19   0.353  -5.863  14.024
  146   1HE   LYS  19          2HE       LYS  19   0.176  -7.045  16.025
  147   2HE   LYS  19          3HE       LYS  19   1.702  -6.407  16.664
  148   1HZ   LYS  19          1HZ       LYS  19  -0.736  -4.805  16.267
  149   2HZ   LYS  19          2HZ       LYS  19  -0.232  -5.416  17.712
  150   3HZ   LYS  19          3HZ       LYS  19   0.683  -4.287  16.939
  151    H    ALA  20           H        ALA  20   4.545  -7.023   9.824
  152    HA   ALA  20           HA       ALA  20   3.992  -9.742   9.997
  153   1HB   ALA  20          1HB       ALA  20   5.044  -9.883   7.764
  154   2HB   ALA  20          2HB       ALA  20   4.015  -8.451   7.891
  155   3HB   ALA  20          3HB       ALA  20   5.787  -8.284   8.053
  156    H    ASP  21           H        ASP  21   5.385 -11.418   9.387
  157    HA   ASP  21           HA       ASP  21   7.940 -11.454  10.951
  158   1HB   ASP  21          2HB       ASP  21   5.491 -12.431  11.779
  159   2HB   ASP  21          3HB       ASP  21   6.171 -13.864  11.025
  160    H    ASN  22           H        ASN  22   5.950 -13.023   8.382
  161    HA   ASN  22           HA       ASN  22   8.370 -14.412   7.380
  162   1HB   ASN  22          2HB       ASN  22   5.491 -14.642   6.437
  163   2HB   ASN  22          3HB       ASN  22   6.821 -15.697   6.003
  164   1HD2  ASN  22          2HD2      ASN  22   6.400 -17.724   6.878
  165   2HD2  ASN  22          1HD2      ASN  22   5.791 -17.931   8.509
  166    H    ALA  23           H        ALA  23   8.885 -14.270   5.181
  167    HA   ALA  23           HA       ALA  23   8.460 -11.837   3.715
  168   1HB   ALA  23          1HB       ALA  23   9.350 -14.642   2.901
  169   2HB   ALA  23          2HB       ALA  23   9.198 -13.305   1.745
  170   3HB   ALA  23          3HB       ALA  23  10.350 -13.180   3.085
  171    H    ALA  24           H        ALA  24   6.908 -15.088   3.374
  172    HA   ALA  24           HA       ALA  24   5.175 -14.301   1.313
  173   1HB   ALA  24          1HB       ALA  24   5.003 -16.454   3.439
  174   2HB   ALA  24          2HB       ALA  24   3.685 -16.203   2.278
  175   3HB   ALA  24          3HB       ALA  24   5.306 -16.608   1.690
  176    H    GLN  25           H        GLN  25   4.785 -13.679   4.826
  177    HA   GLN  25           HA       GLN  25   1.971 -12.980   4.491
  178   1HB   GLN  25          2HB       GLN  25   3.943 -12.619   6.785
  179   2HB   GLN  25          3HB       GLN  25   2.308 -11.941   6.791
  180   1HG   GLN  25          2HG       GLN  25   1.434 -14.278   6.265
  181   2HG   GLN  25          3HG       GLN  25   3.048 -14.889   6.649
  182   1HE2  GLN  25          2HE2      GLN  25   3.829 -14.596   9.005
  183   2HE2  GLN  25          1HE2      GLN  25   2.597 -14.248  10.189
  184    H    VAL  26           H        VAL  26   5.077 -11.110   4.735
  185    HA   VAL  26           HA       VAL  26   3.801  -8.554   4.533
  186    HB   VAL  26           HB       VAL  26   6.542  -9.479   3.481
  187   1HG1  VAL  26          1HG1      VAL  26   6.975  -6.934   3.791
  188   2HG1  VAL  26          2HG1      VAL  26   6.081  -7.430   2.337
  189   3HG1  VAL  26          3HG1      VAL  26   5.223  -6.754   3.741
  190   1HG2  VAL  26          1HG2      VAL  26   6.381  -9.710   5.865
  191   2HG2  VAL  26          2HG2      VAL  26   7.266  -8.208   5.555
  192   3HG2  VAL  26          3HG2      VAL  26   5.540  -8.123   5.964
  193    H    LYS  27           H        LYS  27   4.971 -10.847   2.135
  194    HA   LYS  27           HA       LYS  27   4.598  -9.222  -0.107
  195   1HB   LYS  27          2HB       LYS  27   5.873 -11.506   0.251
  196   2HB   LYS  27          3HB       LYS  27   4.310 -12.244  -0.186
  197   1HG   LYS  27          2HG       LYS  27   4.317 -10.797  -2.205
  198   2HG   LYS  27          3HG       LYS  27   5.904 -10.149  -1.719
  199   1HD   LYS  27          2HD       LYS  27   6.008 -11.915  -3.510
  200   2HD   LYS  27          3HD       LYS  27   6.954 -12.324  -2.064
  201   1HE   LYS  27          2HE       LYS  27   5.393 -13.920  -1.319
  202   2HE   LYS  27          3HE       LYS  27   4.070 -13.205  -2.251
  203   1HZ   LYS  27          1HZ       LYS  27   5.164 -13.996  -4.261
  204   2HZ   LYS  27          2HZ       LYS  27   6.330 -14.745  -3.370
  205   3HZ   LYS  27          3HZ       LYS  27   4.753 -15.229  -3.259
  206    H    ASP  28           H        ASP  28   2.366 -11.661   1.360
  207    HA   ASP  28           HA       ASP  28   0.372 -11.294  -0.652
  208   1HB   ASP  28          2HB       ASP  28   0.655 -13.220   1.043
  209   2HB   ASP  28          3HB       ASP  28  -0.163 -12.177   2.208
  210    H    ALA  29           H        ALA  29   0.961  -9.797   2.507
  211    HA   ALA  29           HA       ALA  29  -1.430  -8.252   2.638
  212   1HB   ALA  29          1HB       ALA  29  -0.242  -6.917   4.284
  213   2HB   ALA  29          2HB       ALA  29   0.206  -8.620   4.513
  214   3HB   ALA  29          3HB       ALA  29   1.328  -7.519   3.692
  215    H    LEU  30           H        LEU  30   1.689  -7.653   0.912
  216    HA   LEU  30           HA       LEU  30   1.080  -4.941   0.185
  217   1HB   LEU  30          2HB       LEU  30   3.060  -7.022  -0.802
  218   2HB   LEU  30          3HB       LEU  30   2.900  -5.418  -1.503
  219    HG   LEU  30           HG       LEU  30   3.616  -5.965   1.403
  220   1HD1  LEU  30          1HD1      LEU  30   5.815  -5.052   0.690
  221   2HD1  LEU  30          2HD1      LEU  30   5.418  -6.563  -0.162
  222   3HD1  LEU  30          3HD1      LEU  30   5.213  -4.999  -0.987
  223   1HD2  LEU  30          1HD2      LEU  30   4.175  -3.547   1.442
  224   2HD2  LEU  30          2HD2      LEU  30   3.512  -3.373  -0.200
  225   3HD2  LEU  30          3HD2      LEU  30   2.461  -3.822   1.151
  226    H    THR  31           H        THR  31   0.521  -8.241  -1.167
  227    HA   THR  31           HA       THR  31  -0.264  -7.255  -3.672
  228    HB   THR  31           HB       THR  31  -1.307  -9.695  -2.227
  229    HG1  THR  31           1HG      THR  31   0.434 -10.712  -2.898
  230   1HG2  THR  31          1HG2      THR  31  -1.006  -9.187  -5.217
  231   2HG2  THR  31          2HG2      THR  31  -1.534 -10.712  -4.471
  232   3HG2  THR  31          3HG2      THR  31  -2.546  -9.268  -4.326
  233    H    LYS  32           H        LYS  32  -2.039  -7.941  -0.640
  234    HA   LYS  32           HA       LYS  32  -4.624  -7.395  -1.723
  235   1HB   LYS  32          2HB       LYS  32  -3.442  -7.804   0.994
  236   2HB   LYS  32          3HB       LYS  32  -4.921  -6.835   0.896
  237   1HG   LYS  32          2HG       LYS  32  -5.806  -8.781  -0.646
  238   2HG   LYS  32          3HG       LYS  32  -4.568  -9.741   0.193
  239   1HD   LYS  32          2HD       LYS  32  -5.576  -9.150   2.362
  240   2HD   LYS  32          3HD       LYS  32  -6.651  -7.978   1.567
  241   1HE   LYS  32          2HE       LYS  32  -7.486 -10.006   0.166
  242   2HE   LYS  32          3HE       LYS  32  -6.770 -10.994   1.451
  243   1HZ   LYS  32          1HZ       LYS  32  -8.829  -8.894   1.788
  244   2HZ   LYS  32          2HZ       LYS  32  -9.080 -10.513   1.904
  245   3HZ   LYS  32          3HZ       LYS  32  -8.153  -9.740   3.026
  246    H    MET  33           H        MET  33  -2.343  -5.184   0.093
  247    HA   MET  33           HA       MET  33  -4.209  -3.005  -0.360
  248   1HB   MET  33          2HB       MET  33  -1.984  -1.578  -0.361
  249   2HB   MET  33          3HB       MET  33  -2.817  -2.055   1.091
  250   1HG   MET  33          2HG       MET  33  -1.096  -3.264   1.841
  251   2HG   MET  33          3HG       MET  33  -0.765  -3.981   0.259
  252   1HE   MET  33          1HE       MET  33   0.263  -0.253   2.233
  253   2HE   MET  33          2HE       MET  33   0.238   0.401   0.590
  254   3HE   MET  33          3HE       MET  33  -1.208  -0.385   1.271
  255    H    ARG  34           H        ARG  34  -1.962  -4.680  -2.558
  256    HA   ARG  34           HA       ARG  34  -1.841  -2.414  -4.360
  257   1HB   ARG  34          2HB       ARG  34  -0.353  -4.537  -4.294
  258   2HB   ARG  34          3HB       ARG  34  -1.679  -5.345  -5.112
  259   1HG   ARG  34          2HG       ARG  34  -1.517  -3.517  -6.904
  260   2HG   ARG  34          3HG       ARG  34   0.014  -3.027  -6.125
  261   1HD   ARG  34          2HD       ARG  34   0.968  -5.224  -6.450
  262   2HD   ARG  34          3HD       ARG  34  -0.622  -5.898  -6.855
  263    HE   ARG  34           HE       ARG  34   0.414  -3.828  -8.656
  264   1HH1  ARG  34          1HH2      ARG  34   0.092  -7.277  -7.972
  265   2HH1  ARG  34          2HH2      ARG  34   0.186  -7.793  -9.616
  266   1HH2  ARG  34          1HH1      ARG  34   0.630  -4.498 -10.880
  267   2HH2  ARG  34          2HH1      ARG  34   0.527  -6.166 -11.306
  268    H    ALA  35           H        ALA  35  -3.943  -5.314  -4.078
  269    HA   ALA  35           HA       ALA  35  -5.547  -4.744  -6.360
  270   1HB   ALA  35          1HB       ALA  35  -7.140  -6.325  -5.351
  271   2HB   ALA  35          2HB       ALA  35  -5.481  -6.947  -5.227
  272   3HB   ALA  35          3HB       ALA  35  -6.275  -6.241  -3.800
  273    H    ALA  36           H        ALA  36  -5.999  -3.875  -2.861
  274    HA   ALA  36           HA       ALA  36  -8.422  -2.458  -3.354
  275   1HB   ALA  36          1HB       ALA  36  -8.133  -3.019  -1.141
  276   2HB   ALA  36          2HB       ALA  36  -6.414  -2.570  -1.112
  277   3HB   ALA  36          3HB       ALA  36  -7.669  -1.311  -1.103
  278    H    ALA  37           H        ALA  37  -4.994  -1.274  -3.422
  279    HA   ALA  37           HA       ALA  37  -5.704   1.461  -3.827
  280   1HB   ALA  37          1HB       ALA  37  -3.447   0.591  -3.096
  281   2HB   ALA  37          2HB       ALA  37  -3.180   0.044  -4.767
  282   3HB   ALA  37          3HB       ALA  37  -3.394   1.772  -4.407
  283    H    LEU  38           H        LEU  38  -5.340  -1.303  -6.032
  284    HA   LEU  38           HA       LEU  38  -5.477   0.183  -8.493
  285   1HB   LEU  38          2HB       LEU  38  -6.050  -2.671  -7.661
  286   2HB   LEU  38          3HB       LEU  38  -6.638  -2.122  -9.218
  287    HG   LEU  38           HG       LEU  38  -3.722  -2.072  -8.364
  288   1HD1  LEU  38          1HD1      LEU  38  -5.239  -3.908 -10.279
  289   2HD1  LEU  38          2HD1      LEU  38  -3.514  -4.014  -9.849
  290   3HD1  LEU  38          3HD1      LEU  38  -4.759  -4.349  -8.632
  291   1HD2  LEU  38          1HD2      LEU  38  -3.332  -0.835 -10.221
  292   2HD2  LEU  38          2HD2      LEU  38  -4.197  -2.007 -11.230
  293   3HD2  LEU  38          3HD2      LEU  38  -5.080  -0.675 -10.484
  294    H    ASP  39           H        ASP  39  -7.968  -1.362  -6.372
  295    HA   ASP  39           HA       ASP  39 -10.090  -0.536  -8.123
  296   1HB   ASP  39          2HB       ASP  39  -9.851  -2.159  -5.803
  297   2HB   ASP  39          3HB       ASP  39 -10.977  -0.870  -5.378
  298    H    ALA  40           H        ALA  40  -8.432   0.955  -5.405
  299    HA   ALA  40           HA       ALA  40 -10.058   3.104  -4.756
  300   1HB   ALA  40          1HB       ALA  40  -7.059   3.278  -4.863
  301   2HB   ALA  40          2HB       ALA  40  -8.210   4.160  -3.850
  302   3HB   ALA  40          3HB       ALA  40  -7.986   2.427  -3.599
  303    H    GLN  41           H        GLN  41  -7.814   2.526  -7.530
  304    HA   GLN  41           HA       GLN  41  -7.421   5.052  -8.582
  305   1HB   GLN  41          2HB       GLN  41  -6.404   2.634  -9.082
  306   2HB   GLN  41          3HB       GLN  41  -7.750   2.523 -10.208
  307   1HG   GLN  41          2HG       GLN  41  -6.427   3.404 -11.702
  308   2HG   GLN  41          3HG       GLN  41  -6.783   4.947 -10.915
  309   1HE2  GLN  41          2HE2      GLN  41  -4.920   3.791  -8.527
  310   2HE2  GLN  41          1HE2      GLN  41  -3.377   4.315  -9.180
  311    H    LYS  42           H        LYS  42 -10.239   2.903  -8.889
  312    HA   LYS  42           HA       LYS  42 -11.428   4.882 -10.795
  313   1HB   LYS  42          2HB       LYS  42 -12.672   3.082 -11.833
  314   2HB   LYS  42          3HB       LYS  42 -10.935   2.864 -12.031
  315   1HG   LYS  42          2HG       LYS  42 -10.853   1.007 -10.606
  316   2HG   LYS  42          3HG       LYS  42 -12.346   1.443  -9.743
  317   1HD   LYS  42          2HD       LYS  42 -13.739   0.838 -11.543
  318   2HD   LYS  42          3HD       LYS  42 -12.400   0.844 -12.709
  319   1HE   LYS  42          2HE       LYS  42 -11.419  -1.140 -11.647
  320   2HE   LYS  42          3HE       LYS  42 -12.726  -1.180 -10.451
  321   1HZ   LYS  42          1HZ       LYS  42 -13.112  -1.392 -13.375
  322   2HZ   LYS  42          2HZ       LYS  42 -13.105  -2.670 -12.335
  323   3HZ   LYS  42          3HZ       LYS  42 -14.285  -1.527 -12.229
  324    H    ALA  43           H        ALA  43 -11.549   4.063  -7.667
  325    HA   ALA  43           HA       ALA  43 -14.451   3.987  -7.356
  326   1HB   ALA  43          1HB       ALA  43 -12.290   4.841  -5.405
  327   2HB   ALA  43          2HB       ALA  43 -13.925   4.203  -5.024
  328   3HB   ALA  43          3HB       ALA  43 -12.676   3.133  -5.690
  329    H    THR  44           H        THR  44 -15.344   6.016  -6.020
  330    HA   THR  44           HA       THR  44 -14.290   8.514  -7.264
  331    HB   THR  44           HB       THR  44 -17.096   7.460  -6.960
  332    HG1  THR  44           1HG      THR  44 -15.930   8.941  -9.034
  333   1HG2  THR  44          1HG2      THR  44 -16.274  10.387  -7.251
  334   2HG2  THR  44          2HG2      THR  44 -17.878   9.747  -7.689
  335   3HG2  THR  44          3HG2      THR  44 -17.336   9.677  -6.014
  336    HA   PRO  45           HA       PRO  45 -14.193   9.258  -2.823
  337   1HB   PRO  45          2HB       PRO  45 -12.175  11.164  -2.824
  338   2HB   PRO  45          3HB       PRO  45 -11.814   9.414  -2.858
  339   1HG   PRO  45          2HG       PRO  45 -11.841  11.332  -5.141
  340   2HG   PRO  45          3HG       PRO  45 -10.714   9.989  -4.788
  341   1HD   PRO  45          2HD       PRO  45 -12.819   9.873  -6.591
  342   2HD   PRO  45          3HD       PRO  45 -12.161   8.428  -5.760
  343    HA   PRO  46           HA       PRO  46 -16.829  12.669  -3.139
  344   1HB   PRO  46          2HB       PRO  46 -16.986  13.495  -0.526
  345   2HB   PRO  46          3HB       PRO  46 -17.720  11.971  -1.113
  346   1HG   PRO  46          2HG       PRO  46 -15.094  12.348   0.334
  347   2HG   PRO  46          3HG       PRO  46 -16.351  11.099   0.604
  348   1HD   PRO  46          2HD       PRO  46 -14.048  10.715  -0.900
  349   2HD   PRO  46          3HD       PRO  46 -15.539   9.796  -1.163
  350    H    LYS  47           H        LYS  47 -13.659  12.813  -1.661
  351    HA   LYS  47           HA       LYS  47 -13.397  15.623  -1.406
  352   1HB   LYS  47          2HB       LYS  47 -12.174  13.803  -0.176
  353   2HB   LYS  47          3HB       LYS  47 -11.325  13.392  -1.664
  354   1HG   LYS  47          2HG       LYS  47 -10.151  14.813   0.116
  355   2HG   LYS  47          3HG       LYS  47  -9.966  15.223  -1.597
  356   1HD   LYS  47          2HD       LYS  47 -11.794  17.040  -1.118
  357   2HD   LYS  47          3HD       LYS  47 -11.460  16.676   0.604
  358   1HE   LYS  47          2HE       LYS  47  -9.027  16.907   0.103
  359   2HE   LYS  47          3HE       LYS  47  -9.411  17.330  -1.572
  360   1HZ   LYS  47          1HZ       LYS  47 -10.163  18.886   0.808
  361   2HZ   LYS  47          2HZ       LYS  47  -8.956  19.241  -0.248
  362   3HZ   LYS  47          3HZ       LYS  47 -10.530  19.287  -0.759
  363    H    LEU  48           H        LEU  48 -12.868  13.427  -4.094
  364    HA   LEU  48           HA       LEU  48 -12.255  15.711  -5.868
  365   1HB   LEU  48          2HB       LEU  48 -10.793  13.043  -5.861
  366   2HB   LEU  48          3HB       LEU  48 -10.726  14.182  -7.193
  367    HG   LEU  48           HG       LEU  48  -9.966  15.092  -4.416
  368   1HD1  LEU  48          1HD1      LEU  48  -7.901  14.053  -6.321
  369   2HD1  LEU  48          2HD1      LEU  48  -7.844  14.385  -4.583
  370   3HD1  LEU  48          3HD1      LEU  48  -8.701  12.943  -5.174
  371   1HD2  LEU  48          1HD2      LEU  48 -10.162  16.836  -6.165
  372   2HD2  LEU  48          2HD2      LEU  48  -8.459  16.593  -5.737
  373   3HD2  LEU  48          3HD2      LEU  48  -9.093  15.898  -7.233
  374    H    GLU  49           H        GLU  49 -14.731  15.020  -5.337
  375    HA   GLU  49           HA       GLU  49 -15.578  12.724  -6.894
  376   1HB   GLU  49          2HB       GLU  49 -16.722  13.798  -4.856
  377   2HB   GLU  49          3HB       GLU  49 -17.274  15.067  -5.931
  378   1HG   GLU  49          2HG       GLU  49 -18.114  13.019  -7.409
  379   2HG   GLU  49          3HG       GLU  49 -17.944  12.112  -5.901
  380    H    ASP  50           H        ASP  50 -16.132  16.210  -7.130
  381    HA   ASP  50           HA       ASP  50 -17.128  16.031  -9.828
  382   1HB   ASP  50          2HB       ASP  50 -18.171  17.172  -7.834
  383   2HB   ASP  50          3HB       ASP  50 -16.901  18.394  -7.929
  384    H    LYS  51           H        LYS  51 -14.023  15.957  -9.359
  385    HA   LYS  51           HA       LYS  51 -13.284  18.481 -10.643
  386   1HB   LYS  51          2HB       LYS  51 -11.270  16.797 -11.563
  387   2HB   LYS  51          3HB       LYS  51 -11.237  17.977 -10.314
  388   1HG   LYS  51          2HG       LYS  51 -10.454  16.372  -9.047
  389   2HG   LYS  51          3HG       LYS  51 -12.101  15.862  -8.821
  390   1HD   LYS  51          2HD       LYS  51 -10.957  14.683 -11.307
  391   2HD   LYS  51          3HD       LYS  51  -9.919  14.411  -9.895
  392   1HE   LYS  51          2HE       LYS  51 -11.387  12.583  -9.784
  393   2HE   LYS  51          3HE       LYS  51 -11.977  13.783  -8.654
  394   1HZ   LYS  51          1HZ       LYS  51 -13.446  14.455 -10.731
  395   2HZ   LYS  51          2HZ       LYS  51 -13.891  13.285  -9.666
  396   3HZ   LYS  51          3HZ       LYS  51 -13.216  12.875 -11.101
  397    H    SER  52           H        SER  52 -12.756  18.918 -12.728
  398    HA   SER  52           HA       SER  52 -14.394  18.069 -14.759
  399   1HB   SER  52          2HB       SER  52 -11.672  19.346 -14.618
  400   2HB   SER  52          3HB       SER  52 -12.496  19.162 -16.181
  401    HG   SER  52           HG       SER  52 -12.951  21.173 -15.169
  402    HA   PRO  53           HA       PRO  53 -12.880  14.220 -16.169
  403   1HB   PRO  53          2HB       PRO  53 -13.562  14.316 -18.848
  404   2HB   PRO  53          3HB       PRO  53 -14.758  14.183 -17.523
  405   1HG   PRO  53          2HG       PRO  53 -13.868  16.684 -18.995
  406   2HG   PRO  53          3HG       PRO  53 -15.540  16.155 -18.611
  407   1HD   PRO  53          2HD       PRO  53 -14.230  17.970 -17.078
  408   2HD   PRO  53          3HD       PRO  53 -15.300  16.738 -16.339
  409    H    ASP  54           H        ASP  54 -11.621  17.136 -17.696
  410    HA   ASP  54           HA       ASP  54  -9.405  15.592 -18.949
  411   1HB   ASP  54          2HB       ASP  54 -11.291  16.788 -20.319
  412   2HB   ASP  54          3HB       ASP  54 -10.486  18.283 -19.859
  413    H    SER  55           H        SER  55  -9.238  16.350 -16.246
  414    HA   SER  55           HA       SER  55  -7.730  18.920 -16.303
  415   1HB   SER  55          2HB       SER  55  -9.924  17.876 -14.630
  416   2HB   SER  55          3HB       SER  55  -8.614  18.603 -13.700
  417    HG   SER  55           HG       SER  55  -9.779  20.319 -14.265
  418    HA   PRO  56           HA       PRO  56  -4.198  17.364 -14.247
  419   1HB   PRO  56          2HB       PRO  56  -3.326  19.561 -12.915
  420   2HB   PRO  56          3HB       PRO  56  -3.479  19.543 -14.697
  421   1HG   PRO  56          2HG       PRO  56  -5.502  20.592 -12.687
  422   2HG   PRO  56          3HG       PRO  56  -4.811  21.452 -14.106
  423   1HD   PRO  56          2HD       PRO  56  -7.178  20.151 -14.220
  424   2HD   PRO  56          3HD       PRO  56  -6.066  20.163 -15.619
  425    H    GLU  57           H        GLU  57  -6.945  17.067 -12.770
  426    HA   GLU  57           HA       GLU  57  -5.789  16.670 -10.039
  427   1HB   GLU  57          2HB       GLU  57  -8.591  17.485 -10.892
  428   2HB   GLU  57          3HB       GLU  57  -8.216  16.781  -9.307
  429   1HG   GLU  57          2HG       GLU  57  -6.477  18.598  -8.996
  430   2HG   GLU  57          3HG       GLU  57  -7.152  19.395 -10.430
  431    H    MET  58           H        MET  58  -7.923  15.337 -12.662
  432    HA   MET  58           HA       MET  58  -8.531  12.975 -11.159
  433   1HB   MET  58          2HB       MET  58  -9.748  13.935 -13.205
  434   2HB   MET  58          3HB       MET  58  -8.443  13.271 -14.193
  435   1HG   MET  58          2HG       MET  58  -9.340  11.228 -12.352
  436   2HG   MET  58          3HG       MET  58 -10.758  11.972 -13.084
  437   1HE   MET  58          1HE       MET  58 -10.574   9.113 -13.350
  438   2HE   MET  58          2HE       MET  58 -11.723  10.041 -14.342
  439   3HE   MET  58          3HE       MET  58 -10.731   8.769 -15.091
  440    H    LYS  59           H        LYS  59  -5.996  13.825 -13.499
  441    HA   LYS  59           HA       LYS  59  -4.744  11.208 -13.506
  442   1HB   LYS  59          2HB       LYS  59  -4.128  13.969 -14.530
  443   2HB   LYS  59          3HB       LYS  59  -2.747  12.885 -14.279
  444   1HG   LYS  59          2HG       LYS  59  -3.686  11.180 -15.666
  445   2HG   LYS  59          3HG       LYS  59  -5.245  12.015 -15.789
  446   1HD   LYS  59          2HD       LYS  59  -4.362  13.715 -17.190
  447   2HD   LYS  59          3HD       LYS  59  -2.675  13.277 -16.811
  448   1HE   LYS  59          2HE       LYS  59  -2.915  11.122 -17.908
  449   2HE   LYS  59          3HE       LYS  59  -4.646  11.388 -18.167
  450   1HZ   LYS  59          1HZ       LYS  59  -2.494  12.998 -19.388
  451   2HZ   LYS  59          2HZ       LYS  59  -3.344  11.813 -20.149
  452   3HZ   LYS  59          3HZ       LYS  59  -4.110  13.181 -19.656
  453    H    ASP  60           H        ASP  60  -4.224  14.208 -11.616
  454    HA   ASP  60           HA       ASP  60  -1.871  13.133 -10.363
  455   1HB   ASP  60          2HB       ASP  60  -3.103  15.643 -10.640
  456   2HB   ASP  60          3HB       ASP  60  -3.241  15.317  -8.918
  457    H    PHE  61           H        PHE  61  -5.267  12.945  -9.690
  458    HA   PHE  61           HA       PHE  61  -5.273  12.210  -6.938
  459   1HB   PHE  61          2HB       PHE  61  -7.366  12.777  -7.962
  460   2HB   PHE  61          3HB       PHE  61  -7.064  11.746  -9.331
  461    HD1  PHE  61           HD1      PHE  61  -8.623  10.043  -9.495
  462    HD2  PHE  61           HD2      PHE  61  -7.027  11.077  -5.624
  463    HE1  PHE  61           HE1      PHE  61  -9.882   8.161  -8.471
  464    HE2  PHE  61           HE2      PHE  61  -8.254   9.173  -4.616
  465    HZ   PHE  61           HZ       PHE  61  -9.712   7.732  -6.044
  466    H    ARG  62           H        ARG  62  -5.652  10.090  -9.740
  467    HA   ARG  62           HA       ARG  62  -5.124   7.734  -8.275
  468   1HB   ARG  62          2HB       ARG  62  -4.577   6.715 -10.472
  469   2HB   ARG  62          3HB       ARG  62  -6.118   7.585 -10.444
  470   1HG   ARG  62          2HG       ARG  62  -4.886   9.551 -11.493
  471   2HG   ARG  62          3HG       ARG  62  -3.471   8.505 -11.686
  472   1HD   ARG  62          2HD       ARG  62  -6.224   7.695 -12.676
  473   2HD   ARG  62          3HD       ARG  62  -5.211   8.814 -13.606
  474    HE   ARG  62           HE       ARG  62  -3.731   6.448 -12.871
  475   1HH1  ARG  62          1HH2      ARG  62  -6.398   7.448 -14.899
  476   2HH1  ARG  62          2HH2      ARG  62  -5.958   6.526 -16.294
  477   1HH2  ARG  62          1HH1      ARG  62  -2.981   5.282 -14.743
  478   2HH2  ARG  62          2HH1      ARG  62  -3.926   5.233 -16.196
  479    H    HIS  63           H        HIS  63  -2.750  10.156  -9.486
  480    HA   HIS  63           HA       HIS  63  -0.566   8.451  -9.501
  481   1HB   HIS  63          2HB       HIS  63  -0.711  10.861 -10.275
  482   2HB   HIS  63          3HB       HIS  63  -0.498  11.325  -8.583
  483    HD1  HIS  63           HD1      HIS  63   1.922  11.843  -8.120
  484    HD2  HIS  63           HD2      HIS  63   1.388   8.837 -11.005
  485    HE1  HIS  63           HE1      HIS  63   4.288  11.176  -8.962
  486    H    GLY  64           H        GLY  64  -2.226   9.999  -6.681
  487   1HA   GLY  64          2HA       GLY  64  -0.441   9.312  -4.656
  488   2HA   GLY  64          3HA       GLY  64  -2.205   9.313  -4.513
  489    H    PHE  65           H        PHE  65  -2.943   7.126  -6.125
  490    HA   PHE  65           HA       PHE  65  -1.930   4.894  -4.537
  491   1HB   PHE  65          2HB       PHE  65  -3.609   4.873  -7.072
  492   2HB   PHE  65          3HB       PHE  65  -3.452   3.522  -5.945
  493    HD1  PHE  65           HD1      PHE  65  -3.699   4.832  -3.340
  494    HD2  PHE  65           HD2      PHE  65  -5.845   5.561  -7.004
  495    HE1  PHE  65           HE1      PHE  65  -5.313   6.094  -2.123
  496    HE2  PHE  65           HE2      PHE  65  -7.663   6.639  -5.710
  497    HZ   PHE  65           HZ       PHE  65  -7.406   6.978  -3.248
  498    H    ASP  66           H        ASP  66  -0.986   6.410  -7.443
  499    HA   ASP  66           HA       ASP  66  -0.176   3.993  -8.897
  500   1HB   ASP  66          2HB       ASP  66  -0.906   6.301  -9.839
  501   2HB   ASP  66          3HB       ASP  66   0.778   6.786  -9.556
  502    H    ILE  67           H        ILE  67   1.455   6.640  -7.179
  503    HA   ILE  67           HA       ILE  67   4.121   5.757  -7.145
  504    HB   ILE  67           HB       ILE  67   2.470   7.048  -4.893
  505   1HG1  ILE  67          2HG1      ILE  67   3.908   8.094  -7.347
  506   2HG1  ILE  67          3HG1      ILE  67   2.367   8.567  -6.647
  507   1HG2  ILE  67          1HG2      ILE  67   4.659   7.778  -3.988
  508   2HG2  ILE  67          2HG2      ILE  67   4.602   6.034  -4.088
  509   3HG2  ILE  67          3HG2      ILE  67   5.501   6.952  -5.320
  510   1HD1  ILE  67          1HD1      ILE  67   5.096   9.391  -5.663
  511   2HD1  ILE  67          2HD1      ILE  67   3.837  10.400  -6.387
  512   3HD1  ILE  67          3HD1      ILE  67   3.571   9.702  -4.780
  513    H    LEU  68           H        LEU  68   1.318   4.810  -5.149
  514    HA   LEU  68           HA       LEU  68   2.827   3.222  -3.340
  515   1HB   LEU  68          2HB       LEU  68  -0.016   3.860  -3.828
  516   2HB   LEU  68          3HB       LEU  68   0.276   2.221  -3.201
  517    HG   LEU  68           HG       LEU  68   1.466   3.143  -1.286
  518   1HD1  LEU  68          1HD1      LEU  68   1.195   5.664  -2.852
  519   2HD1  LEU  68          2HD1      LEU  68   1.584   5.584  -1.089
  520   3HD1  LEU  68          3HD1      LEU  68   2.724   4.962  -2.281
  521   1HD2  LEU  68          1HD2      LEU  68  -0.966   3.136  -1.264
  522   2HD2  LEU  68          2HD2      LEU  68  -0.272   4.557  -0.394
  523   3HD2  LEU  68          3HD2      LEU  68  -0.983   4.759  -2.013
  524    H    VAL  69           H        VAL  69   0.939   2.517  -6.300
  525    HA   VAL  69           HA       VAL  69   1.179  -0.324  -6.269
  526    HB   VAL  69           HB       VAL  69   0.429   1.881  -8.159
  527   1HG1  VAL  69          1HG1      VAL  69   1.619   0.447  -9.716
  528   2HG1  VAL  69          2HG1      VAL  69   0.721  -0.980  -9.131
  529   3HG1  VAL  69          3HG1      VAL  69  -0.122   0.349  -9.975
  530   1HG2  VAL  69          1HG2      VAL  69  -0.947   0.009  -6.455
  531   2HG2  VAL  69          2HG2      VAL  69  -1.610   1.321  -7.436
  532   3HG2  VAL  69          3HG2      VAL  69  -1.442  -0.297  -8.126
  533    H    GLY  70           H        GLY  70   3.306   2.249  -7.584
  534   1HA   GLY  70          2HA       GLY  70   5.056   0.389  -8.930
  535   2HA   GLY  70          3HA       GLY  70   5.392   2.090  -8.550
  536    H    GLN  71           H        GLN  71   5.164   2.096  -5.755
  537    HA   GLN  71           HA       GLN  71   7.686   0.985  -4.936
  538   1HB   GLN  71          2HB       GLN  71   5.300   2.033  -3.356
  539   2HB   GLN  71          3HB       GLN  71   6.829   1.531  -2.620
  540   1HG   GLN  71          2HG       GLN  71   8.053   3.278  -3.794
  541   2HG   GLN  71          3HG       GLN  71   6.596   3.768  -4.669
  542   1HE2  GLN  71          2HE2      GLN  71   7.087   5.945  -3.604
  543   2HE2  GLN  71          1HE2      GLN  71   6.465   6.173  -1.969
  544    H    ILE  72           H        ILE  72   4.332  -0.205  -4.841
  545    HA   ILE  72           HA       ILE  72   4.883  -2.436  -3.095
  546    HB   ILE  72           HB       ILE  72   2.656  -1.981  -5.129
  547   1HG1  ILE  72          2HG1      ILE  72   2.619  -2.247  -2.078
  548   2HG1  ILE  72          3HG1      ILE  72   2.714  -0.743  -2.958
  549   1HG2  ILE  72          1HG2      ILE  72   1.659  -4.041  -3.912
  550   2HG2  ILE  72          2HG2      ILE  72   2.954  -4.378  -5.066
  551   3HG2  ILE  72          3HG2      ILE  72   3.288  -4.312  -3.312
  552   1HD1  ILE  72          1HD1      ILE  72   0.343  -2.570  -2.939
  553   2HD1  ILE  72          2HD1      ILE  72   0.483  -0.919  -2.319
  554   3HD1  ILE  72          3HD1      ILE  72   0.546  -1.192  -4.064
  555    H    ASP  73           H        ASP  73   5.243  -1.896  -6.629
  556    HA   ASP  73           HA       ASP  73   5.578  -4.655  -7.247
  557   1HB   ASP  73          2HB       ASP  73   5.183  -2.526  -8.752
  558   2HB   ASP  73          3HB       ASP  73   6.946  -2.464  -8.820
  559    H    ASP  74           H        ASP  74   7.919  -2.056  -6.503
  560    HA   ASP  74           HA       ASP  74  10.247  -3.729  -6.530
  561   1HB   ASP  74          2HB       ASP  74   9.562  -0.992  -5.620
  562   2HB   ASP  74          3HB       ASP  74  10.761  -1.777  -4.596
  563    H    ALA  75           H        ALA  75   8.170  -2.738  -3.784
  564    HA   ALA  75           HA       ALA  75   9.533  -4.206  -1.822
  565   1HB   ALA  75          1HB       ALA  75   7.538  -3.883  -0.444
  566   2HB   ALA  75          2HB       ALA  75   7.946  -2.411  -1.342
  567   3HB   ALA  75          3HB       ALA  75   6.603  -3.427  -1.896
  568    H    LEU  76           H        LEU  76   7.078  -5.431  -4.134
  569    HA   LEU  76           HA       LEU  76   6.709  -8.033  -3.033
  570   1HB   LEU  76          2HB       LEU  76   6.369  -6.559  -5.600
  571   2HB   LEU  76          3HB       LEU  76   6.760  -8.225  -5.829
  572    HG   LEU  76           HG       LEU  76   4.400  -7.416  -5.763
  573   1HD1  LEU  76          1HD1      LEU  76   3.874  -9.594  -5.729
  574   2HD1  LEU  76          2HD1      LEU  76   5.540  -9.922  -5.216
  575   3HD1  LEU  76          3HD1      LEU  76   4.252  -9.742  -4.017
  576   1HD2  LEU  76          1HD2      LEU  76   3.861  -6.248  -3.967
  577   2HD2  LEU  76          2HD2      LEU  76   4.826  -7.171  -2.823
  578   3HD2  LEU  76          3HD2      LEU  76   3.280  -7.813  -3.415
  579    H    LYS  77           H        LYS  77   9.024  -6.653  -5.387
  580    HA   LYS  77           HA       LYS  77  10.449  -9.020  -5.953
  581   1HB   LYS  77          2HB       LYS  77  10.543  -6.728  -7.133
  582   2HB   LYS  77          3HB       LYS  77  11.596  -6.190  -5.830
  583   1HG   LYS  77          2HG       LYS  77  13.207  -6.805  -7.300
  584   2HG   LYS  77          3HG       LYS  77  12.994  -8.359  -6.477
  585   1HD   LYS  77          2HD       LYS  77  11.191  -8.837  -8.288
  586   2HD   LYS  77          3HD       LYS  77  11.872  -7.462  -9.166
  587   1HE   LYS  77          2HE       LYS  77  13.636  -9.706  -8.118
  588   2HE   LYS  77          3HE       LYS  77  12.734  -9.906  -9.629
  589   1HZ   LYS  77          1HZ       LYS  77  14.758  -7.835  -9.074
  590   2HZ   LYS  77          2HZ       LYS  77  14.895  -9.105 -10.112
  591   3HZ   LYS  77          3HZ       LYS  77  13.835  -7.890 -10.439
  592    H    LEU  78           H        LEU  78  11.046  -6.519  -3.550
  593    HA   LEU  78           HA       LEU  78  13.415  -7.597  -2.426
  594   1HB   LEU  78          2HB       LEU  78  11.287  -5.791  -1.181
  595   2HB   LEU  78          3HB       LEU  78  12.898  -6.045  -0.509
  596    HG   LEU  78           HG       LEU  78  12.419  -4.910  -3.295
  597   1HD1  LEU  78          1HD1      LEU  78  13.103  -2.707  -2.179
  598   2HD1  LEU  78          2HD1      LEU  78  11.457  -3.265  -1.890
  599   3HD1  LEU  78          3HD1      LEU  78  12.698  -3.482  -0.635
  600   1HD2  LEU  78          1HD2      LEU  78  14.608  -4.519  -3.495
  601   2HD2  LEU  78          2HD2      LEU  78  14.878  -4.298  -1.756
  602   3HD2  LEU  78          3HD2      LEU  78  14.744  -5.932  -2.433
  603    H    ALA  79           H        ALA  79   9.981  -7.887  -1.326
  604    HA   ALA  79           HA       ALA  79  10.578  -9.489   0.924
  605   1HB   ALA  79          1HB       ALA  79   8.378  -8.361   0.453
  606   2HB   ALA  79          2HB       ALA  79   8.062  -9.579  -0.797
  607   3HB   ALA  79          3HB       ALA  79   8.210 -10.069   0.907
  608    H    ASN  80           H        ASN  80  10.038 -10.409  -2.537
  609    HA   ASN  80           HA       ASN  80   9.953 -13.195  -2.139
  610   1HB   ASN  80          2HB       ASN  80   9.159 -11.614  -4.045
  611   2HB   ASN  80          3HB       ASN  80  10.845 -11.637  -4.588
  612   1HD2  ASN  80          2HD2      ASN  80  10.454 -12.753  -6.522
  613   2HD2  ASN  80          1HD2      ASN  80   9.784 -14.374  -6.492
  614    H    GLU  81           H        GLU  81  12.635 -10.858  -2.615
  615    HA   GLU  81           HA       GLU  81  14.696 -12.899  -2.842
  616   1HB   GLU  81          2HB       GLU  81  14.629  -9.901  -2.400
  617   2HB   GLU  81          3HB       GLU  81  16.082 -10.791  -1.979
  618   1HG   GLU  81          2HG       GLU  81  15.884 -11.832  -4.378
  619   2HG   GLU  81          3HG       GLU  81  14.839 -10.441  -4.702
  620    H    GLY  82           H        GLY  82  12.637 -12.278  -0.269
  621   1HA   GLY  82          2HA       GLY  82  12.805 -13.212   1.853
  622   2HA   GLY  82          3HA       GLY  82  14.542 -13.476   1.623
  623    H    LYS  83           H        LYS  83  13.794 -10.281   0.669
  624    HA   LYS  83           HA       LYS  83  14.831  -9.195   3.197
  625   1HB   LYS  83          2HB       LYS  83  14.306  -8.096   0.446
  626   2HB   LYS  83          3HB       LYS  83  14.287  -6.972   1.806
  627   1HG   LYS  83          2HG       LYS  83  16.485  -7.442   2.433
  628   2HG   LYS  83          3HG       LYS  83  16.456  -9.038   1.678
  629   1HD   LYS  83          2HD       LYS  83  16.327  -7.666  -0.593
  630   2HD   LYS  83          3HD       LYS  83  17.021  -6.379   0.430
  631   1HE   LYS  83          2HE       LYS  83  18.499  -8.421   1.331
  632   2HE   LYS  83          3HE       LYS  83  18.094  -9.130  -0.240
  633   1HZ   LYS  83          1HZ       LYS  83  20.175  -7.882  -0.220
  634   2HZ   LYS  83          2HZ       LYS  83  19.362  -6.492   0.148
  635   3HZ   LYS  83          3HZ       LYS  83  19.101  -7.247  -1.296
  636    H    VAL  84           H        VAL  84  13.046 -10.241   4.367
  637    HA   VAL  84           HA       VAL  84  10.424  -9.111   4.376
  638    HB   VAL  84           HB       VAL  84  12.173 -10.126   6.682
  639   1HG1  VAL  84          1HG1      VAL  84   9.806 -10.604   7.674
  640   2HG1  VAL  84          2HG1      VAL  84  10.429  -8.954   7.751
  641   3HG1  VAL  84          3HG1      VAL  84   9.234  -9.389   6.511
  642   1HG2  VAL  84          1HG2      VAL  84  10.226 -11.467   4.803
  643   2HG2  VAL  84          2HG2      VAL  84  11.924 -11.891   5.081
  644   3HG2  VAL  84          3HG2      VAL  84  10.725 -12.205   6.340
  645    H    LYS  85           H        LYS  85  13.604  -7.997   5.568
  646    HA   LYS  85           HA       LYS  85  12.423  -6.019   7.283
  647   1HB   LYS  85          2HB       LYS  85  14.799  -7.245   7.332
  648   2HB   LYS  85          3HB       LYS  85  15.307  -5.850   6.355
  649   1HG   LYS  85          2HG       LYS  85  14.502  -4.308   8.081
  650   2HG   LYS  85          3HG       LYS  85  13.751  -5.648   8.973
  651   1HD   LYS  85          2HD       LYS  85  16.043  -6.664   9.268
  652   2HD   LYS  85          3HD       LYS  85  16.722  -5.163   8.577
  653   1HE   LYS  85          2HE       LYS  85  15.311  -3.907  10.318
  654   2HE   LYS  85          3HE       LYS  85  14.957  -5.477  11.053
  655   1HZ   LYS  85          1HZ       LYS  85  17.639  -4.289  10.725
  656   2HZ   LYS  85          2HZ       LYS  85  16.799  -4.405  12.134
  657   3HZ   LYS  85          3HZ       LYS  85  17.337  -5.770  11.386
  658    H    GLU  86           H        GLU  86  14.046  -5.903   4.052
  659    HA   GLU  86           HA       GLU  86  13.691  -3.073   3.870
  660   1HB   GLU  86          2HB       GLU  86  15.118  -5.038   2.502
  661   2HB   GLU  86          3HB       GLU  86  13.879  -4.541   1.324
  662   1HG   GLU  86          2HG       GLU  86  14.510  -2.120   1.993
  663   2HG   GLU  86          3HG       GLU  86  15.928  -2.821   2.780
  664    H    ALA  87           H        ALA  87  11.603  -5.876   3.180
  665    HA   ALA  87           HA       ALA  87   9.692  -4.369   1.654
  666   1HB   ALA  87          1HB       ALA  87   8.234  -6.256   2.041
  667   2HB   ALA  87          2HB       ALA  87   9.856  -6.846   1.668
  668   3HB   ALA  87          3HB       ALA  87   9.286  -6.866   3.350
  669    H    GLN  88           H        GLN  88  10.157  -4.931   5.213
  670    HA   GLN  88           HA       GLN  88   7.756  -3.423   5.886
  671   1HB   GLN  88          2HB       GLN  88  10.265  -3.834   7.569
  672   2HB   GLN  88          3HB       GLN  88   8.711  -3.205   8.125
  673   1HG   GLN  88          2HG       GLN  88   7.638  -5.382   7.550
  674   2HG   GLN  88          3HG       GLN  88   9.222  -6.027   7.139
  675   1HE2  GLN  88          2HE2      GLN  88   7.307  -6.827   9.358
  676   2HE2  GLN  88          1HE2      GLN  88   8.287  -6.718  10.790
  677    H    ALA  89           H        ALA  89  11.187  -2.558   5.262
  678    HA   ALA  89           HA       ALA  89  10.909   0.112   6.290
  679   1HB   ALA  89          1HB       ALA  89  12.880  -0.950   4.216
  680   2HB   ALA  89          2HB       ALA  89  13.045   0.532   5.181
  681   3HB   ALA  89          3HB       ALA  89  13.095  -1.052   5.983
  682    H    ALA  90           H        ALA  90  10.371  -1.387   3.100
  683    HA   ALA  90           HA       ALA  90   9.840   1.031   1.682
  684   1HB   ALA  90          1HB       ALA  90   8.916  -1.841   1.291
  685   2HB   ALA  90          2HB       ALA  90   8.486  -0.513   0.189
  686   3HB   ALA  90          3HB       ALA  90  10.189  -0.960   0.415
  687    H    ALA  91           H        ALA  91   7.820  -0.911   3.980
  688    HA   ALA  91           HA       ALA  91   5.398   0.412   3.305
  689   1HB   ALA  91          1HB       ALA  91   5.110  -1.414   4.714
  690   2HB   ALA  91          2HB       ALA  91   6.277  -0.833   5.919
  691   3HB   ALA  91          3HB       ALA  91   4.738  -0.010   5.725
  692    H    GLU  92           H        GLU  92   8.226   1.719   5.079
  693    HA   GLU  92           HA       GLU  92   6.807   3.998   6.095
  694   1HB   GLU  92          2HB       GLU  92   9.702   3.809   5.161
  695   2HB   GLU  92          3HB       GLU  92   8.970   5.159   6.013
  696   1HG   GLU  92          2HG       GLU  92   8.270   3.077   7.680
  697   2HG   GLU  92          3HG       GLU  92   9.830   2.513   7.068
  698    H    GLN  93           H        GLN  93   8.172   3.288   2.849
  699    HA   GLN  93           HA       GLN  93   7.786   5.997   1.917
  700   1HB   GLN  93          2HB       GLN  93   8.053   3.416   0.320
  701   2HB   GLN  93          3HB       GLN  93   8.028   5.069  -0.327
  702   1HG   GLN  93          2HG       GLN  93  10.011   5.591   1.154
  703   2HG   GLN  93          3HG       GLN  93  10.149   3.846   1.457
  704   1HE2  GLN  93          2HE2      GLN  93  12.277   5.241   0.195
  705   2HE2  GLN  93          1HE2      GLN  93  12.295   4.754  -1.497
  706    H    LEU  94           H        LEU  94   5.790   2.965   1.467
  707    HA   LEU  94           HA       LEU  94   3.776   4.237  -0.019
  708   1HB   LEU  94          2HB       LEU  94   3.529   1.907   1.950
  709   2HB   LEU  94          3HB       LEU  94   2.311   2.381   0.768
  710    HG   LEU  94           HG       LEU  94   4.634   2.196  -0.767
  711   1HD1  LEU  94          1HD1      LEU  94   5.149  -0.363  -0.295
  712   2HD1  LEU  94          2HD1      LEU  94   6.018   0.908   0.501
  713   3HD1  LEU  94          3HD1      LEU  94   4.684   0.055   1.353
  714   1HD2  LEU  94          1HD2      LEU  94   2.371   1.360  -1.440
  715   2HD2  LEU  94          2HD2      LEU  94   3.811   0.478  -1.868
  716   3HD2  LEU  94          3HD2      LEU  94   2.752  -0.120  -0.534
  717    H    LYS  95           H        LYS  95   4.226   3.840   3.454
  718    HA   LYS  95           HA       LYS  95   1.911   5.138   4.424
  719   1HB   LYS  95          2HB       LYS  95   3.411   3.582   5.624
  720   2HB   LYS  95          3HB       LYS  95   4.593   4.911   5.746
  721   1HG   LYS  95          2HG       LYS  95   2.650   6.222   6.899
  722   2HG   LYS  95          3HG       LYS  95   1.807   4.658   6.941
  723   1HD   LYS  95          2HD       LYS  95   3.918   3.689   8.004
  724   2HD   LYS  95          3HD       LYS  95   4.510   5.362   8.155
  725   1HE   LYS  95          2HE       LYS  95   2.589   5.970   9.523
  726   2HE   LYS  95          3HE       LYS  95   1.830   4.393   9.238
  727   1HZ   LYS  95          1HZ       LYS  95   4.391   4.766  10.657
  728   2HZ   LYS  95          2HZ       LYS  95   2.940   4.514  11.392
  729   3HZ   LYS  95          3HZ       LYS  95   3.596   3.335  10.460
  730    H    THR  96           H        THR  96   5.017   6.449   3.313
  731    HA   THR  96           HA       THR  96   4.565   9.055   4.529
  732    HB   THR  96           HB       THR  96   6.485   7.927   2.489
  733    HG1  THR  96           1HG      THR  96   7.667   7.896   4.181
  734   1HG2  THR  96          1HG2      THR  96   6.223  10.856   3.279
  735   2HG2  THR  96          2HG2      THR  96   7.631  10.141   2.465
  736   3HG2  THR  96          3HG2      THR  96   6.068  10.183   1.634
  737    H    THR  97           H        THR  97   3.986   7.458   1.309
  738    HA   THR  97           HA       THR  97   2.751   9.834   0.252
  739    HB   THR  97           HB       THR  97   2.952   6.948  -0.493
  740    HG1  THR  97           1HG      THR  97   3.229   8.590  -2.468
  741   1HG2  THR  97          1HG2      THR  97   1.116   9.069  -1.756
  742   2HG2  THR  97          2HG2      THR  97   1.581   7.650  -2.624
  743   3HG2  THR  97          3HG2      THR  97   0.572   7.503  -1.162
  744    H    CYS  98           H        CYS  98   1.510   7.105   2.291
  745    HA   CYS  98           HA       CYS  98  -1.213   7.554   1.873
  746   1HB   CYS  98          2HB       CYS  98   0.004   7.085   4.648
  747   2HB   CYS  98          3HB       CYS  98  -1.666   6.876   4.178
  748    H    ASN  99           H        ASN  99   0.994   9.014   4.206
  749    HA   ASN  99           HA       ASN  99  -0.968  10.897   5.128
  750   1HB   ASN  99          2HB       ASN  99   1.986  10.423   5.624
  751   2HB   ASN  99          3HB       ASN  99   1.197  11.889   6.234
  752   1HD2  ASN  99          2HD2      ASN  99   1.949   8.715   7.090
  753   2HD2  ASN  99          1HD2      ASN  99   0.687   8.546   8.310
  754    H    ALA 100           H        ALA 100   1.596  11.132   2.712
  755    HA   ALA 100           HA       ALA 100   1.660  14.000   2.660
  756   1HB   ALA 100          1HB       ALA 100   2.337  12.676   0.078
  757   2HB   ALA 100          2HB       ALA 100   3.258  13.817   1.065
  758   3HB   ALA 100          3HB       ALA 100   3.277  12.106   1.467
  759    H    TYR 101           H        TYR 101   0.169  11.609   0.310
  760    HA   TYR 101           HA       TYR 101  -1.505  13.553  -0.840
  761   1HB   TYR 101          2HB       TYR 101  -1.735  10.569  -0.555
  762   2HB   TYR 101          3HB       TYR 101  -3.079  11.512  -1.185
  763    HD1  TYR 101           HD1      TYR 101   0.607  11.051  -1.693
  764    HD2  TYR 101           HD2      TYR 101  -3.124  12.238  -3.435
  765    HE1  TYR 101           HE1      TYR 101   1.719  11.251  -3.917
  766    HE2  TYR 101           HE2      TYR 101  -2.016  12.614  -5.601
  767    HH   TYR 101           HH       TYR 101  -0.058  12.587  -6.740
  768    H    HIS 102           HN       HIS 102  -2.281  11.446   2.050
  769    HA   HIS 102           HA       HIS 102  -4.810  12.485   2.458
  770   1HB   HIS 102          2HB       HIS 102  -2.770  11.388   4.394
  771   2HB   HIS 102          3HB       HIS 102  -4.254  12.028   5.010
  772    HD1  HIS 102           HND      HIS 102  -4.577   9.650   6.048
  773    HD2  HIS 102           HD       HIS 102  -4.736   9.919   1.885
  774    HE1  HIS 102           HE       HIS 102  -5.808   7.620   5.331
  775    H    GLN 103           H        GLN 103  -1.848  14.323   2.982
  776    HA   GLN 103           HA       GLN 103  -3.018  16.049   4.971
  777   1HB   GLN 103          2HB       GLN 103  -0.485  15.731   3.587
  778   2HB   GLN 103          3HB       GLN 103  -0.963  17.400   3.451
  779   1HG   GLN 103          2HG       GLN 103  -1.402  16.430   6.200
  780   2HG   GLN 103          3HG       GLN 103   0.211  16.015   5.654
  781   1HE2  GLN 103          2HE2      GLN 103   1.162  17.528   7.209
  782   2HE2  GLN 103          1HE2      GLN 103   1.049  19.253   6.882
  783    H    LYS 104           H        LYS 104  -3.489  15.828   1.591
  784    HA   LYS 104           HA       LYS 104  -5.148  18.312   1.742
  785   1HB   LYS 104          2HB       LYS 104  -3.828  17.459  -0.844
  786   2HB   LYS 104          3HB       LYS 104  -4.675  18.950  -0.485
  787   1HG   LYS 104          2HG       LYS 104  -2.623  19.834  -0.321
  788   2HG   LYS 104          3HG       LYS 104  -2.588  19.143   1.306
  789   1HD   LYS 104          2HD       LYS 104  -1.506  17.092   0.394
  790   2HD   LYS 104          3HD       LYS 104  -1.612  17.745  -1.243
  791   1HE   LYS 104          2HE       LYS 104   0.026  18.948   1.028
  792   2HE   LYS 104          3HE       LYS 104   0.644  17.923  -0.276
  793   1HZ   LYS 104          1HZ       LYS 104  -0.473  20.631  -0.538
  794   2HZ   LYS 104          2HZ       LYS 104   1.047  20.121  -0.902
  795   3HZ   LYS 104          3HZ       LYS 104  -0.220  19.645  -1.834
  796    H    TYR 105           H        TYR 105  -4.696  15.196   0.158
  797    HA   TYR 105           HA       TYR 105  -7.060  15.180  -1.437
  798   1HB   TYR 105          2HB       TYR 105  -4.947  13.119  -0.650
  799   2HB   TYR 105          3HB       TYR 105  -6.303  12.701  -1.634
  800    HD1  TYR 105           HD1      TYR 105  -6.412  13.036  -3.851
  801    HD2  TYR 105           HD2      TYR 105  -3.286  14.957  -1.610
  802    HE1  TYR 105           HE1      TYR 105  -5.434  13.903  -5.960
  803    HE2  TYR 105           HE2      TYR 105  -2.103  15.490  -3.738
  804    HH   TYR 105           HH       TYR 105  -3.409  14.627  -6.929
  805    H    ARG 106           H        ARG 106  -6.529  14.296   1.899
  806    HA   ARG 106           HA       ARG 106  -9.197  13.169   1.952
  807   1HB   ARG 106          2HB       ARG 106  -7.843  11.187   1.808
  808   2HB   ARG 106          3HB       ARG 106  -6.762  11.678   3.095
  809   1HG   ARG 106          2HG       ARG 106  -9.726  11.049   3.390
  810   2HG   ARG 106          3HG       ARG 106  -8.347   9.999   3.801
  811   1HD   ARG 106          2HD       ARG 106  -7.788  12.313   5.196
  812   2HD   ARG 106          3HD       ARG 106  -9.565  12.133   5.306
  813    HE   ARG 106           HE       ARG 106  -7.912   9.781   5.880
  814   1HH1  ARG 106          1HH2      ARG 106  -9.845  12.472   7.078
  815   2HH1  ARG 106          2HH2      ARG 106  -9.935  11.927   8.715
  816   1HH2  ARG 106          1HH1      ARG 106  -7.873   9.076   8.103
  817   2HH2  ARG 106          2HH1      ARG 106  -8.724   9.963   9.318
  818    HHA  HEB 107           MHG      HEM 107 -10.527   7.936   3.906
  819    HHB  HEB 107           MHD      HEM 107  -5.630   4.139   5.562
  820    HHC  HEB 107           MHA      HEM 107  -2.486   6.213   0.361
  821    HHD  HEB 107           MHB      HEM 107  -7.419   9.802  -1.404
  822   1HMA  HEB 107          1HM8      HEM 107  -9.047   4.276   7.355
  823   2HMA  HEB 107          2HM8      HEM 107  -7.711   3.433   6.574
  824   3HMA  HEB 107          3HM8      HEM 107  -7.370   4.763   7.705
  825   1HAA  HEB 107          1HP7      HEM 107 -10.346   6.100   7.206
  826   2HAA  HEB 107          2HP7      HEM 107 -10.223   7.676   6.436
  827   1HBA  HEB 107          3HP7      HEM 107 -12.244   5.635   6.038
  828   2HBA  HEB 107          4HP7      HEM 107 -11.528   6.031   4.504
  829   1HMB  HEB 107          1HM1      HEM 107  -2.230   2.838   4.362
  830   2HMB  HEB 107          2HM1      HEM 107  -2.893   3.786   5.708
  831   3HMB  HEB 107          3HM1      HEM 107  -3.908   2.604   4.853
  832    HAB  HEB 107          AHT2      HEM 107  -1.112   5.353   1.531
  833   1HBB  HEB 107          1HT2      HEM 107  -0.205   3.148   1.373
  834   2HBB  HEB 107          2HT2      HEM 107  -1.616   2.477   2.242
  835   3HBB  HEB 107          3HT2      HEM 107  -1.839   3.322   0.683
  836   1HMC  HEB 107          1HM3      HEM 107  -2.250   6.671  -1.771
  837   2HMC  HEB 107          2HM3      HEM 107  -2.435   8.217  -2.654
  838   3HMC  HEB 107          3HM3      HEM 107  -1.705   8.188  -1.040
  839    HAC  HEB 107          AHV4      HEM 107  -5.156  10.703  -2.436
  840   1HBC  HEB 107          CHV4      HEM 107  -4.489   8.237  -4.112
  841   2HBC  HEB 107          THV4      HEM 107  -5.291   9.820  -4.664
  842   1HMD  HEB 107          1HM5      HEM 107  -9.963  11.405  -0.428
  843   2HMD  HEB 107          2HM5      HEM 107  -9.668  10.168  -1.675
  844   3HMD  HEB 107          3HM5      HEM 107 -11.191  10.183  -0.766
  845   1HAD  HEB 107          1HP6      HEM 107 -11.685   9.456   3.037
  846   2HAD  HEB 107          2HP6      HEM 107 -11.744  10.512   1.619
  847   1HBD  HEB 107          3HP6      HEM 107 -12.487   8.446   0.316
  848   2HBD  HEB 107          4HP6      HEM 107 -12.610   7.614   1.886