*HEADER    HYDROLASE                               04-APR-08   2RON              
*TITLE     THE EXTERNAL THIOESTERASE OF THE SURFACTIN-SYNTHETASE                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SURFACTIN SYNTHETASE THIOESTERASE SUBUNIT;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: COLD SHOCK PROTEIN CSI16;                                   
*COMPND   5 EC: 3.1.2.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 GENE: SRFAD;                                                         
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) STAR;                           
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    THIOESTERASE, NON-RIBOSOMAL PEPTIDE SYNTHETASE, TEII, NRPS,           
*KEYWDS   2 A/B HYDROLASE, PCP REGENERATION, ANTIBIOTIC BIOSYNTHESIS,            
*KEYWDS   3 CYTOPLASM, HYDROLASE, SPORULATION, STRESS RESPONSE                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.KOGLIN, F.LOHR, F.BERNHARD, V.R.ROGOV, D.P.FRUEH,                   
*AUTHOR   2 E.R.STRIETER, M.R.MOFID, P.GUENTERT, G.WAGNER, C.T.WALSH,            
*AUTHOR   3 M.A.MARAHIEL, V.DOETSCH                                              
*REVDAT   1   12-AUG-08 2RON    0                                                


  2 SER  HA     48 PRO  HA      3.19
  2 SER  HA     49 GLY  H       4.80
  2 SER  H      54 GLN  O       2.90
  2 SER  O      56 SER  H       3.30 #3.15
  2 SER  QB     56 SER  QB      5.75            #peak  1127
  3 GLN  O      46 GLU  H       2.40
  3 GLN  H      48 PRO  HA      3.30
  3 GLN  HA     48 PRO  HA      5.05
  3 GLN  H      49 GLY  H       4.75
  3 GLN  HA     56 SER  H       4.97            #peak   350
  4 LEU  QD1     6 LYS  QD      4.80            #peak   179
  4 LEU  QD2     6 LYS  QD      4.44            #peak  1762
  4 LEU  QQD     6 LYS  H       5.95 #5.75      #peak  2176
  4 LEU  QQD     6 LYS  QB      5.15            #peak  1764
  4 LEU  QQD     6 LYS  QD      3.90            #peak   179
  4 LEU  QQD     6 LYS  QG      5.50            #peak  1322
  4 LEU  QD1    16 LEU  QD1     5.10
  4 LEU  QD1    16 LEU  HG      4.59
  4 LEU  HA     43 LEU  QD1     5.90            #peak  2489
  4 LEU  QD1    43 LEU  QB      5.90 #5.60      #peak   190
  4 LEU  QD1    43 LEU  QD1     4.00            #peak  1765
  4 LEU  QD2    43 LEU  QD1     5.30 #4.10
  4 LEU  HG     43 LEU  QB      6.00 #5.40
  4 LEU  HG     43 LEU  QD1     3.60            #peak  1742
  4 LEU  HA     45 ALA  HA      2.60
  4 LEU  HA     45 ALA  QB      5.00
  4 LEU  HA     46 GLU  H       2.55
  4 LEU  HA     46 GLU  QG      4.15
  4 LEU  QB     56 SER  QB      5.00            #peak   733
  4 LEU  HG     56 SER  QB      5.90
  4 LEU  QB     56 SER  HA      6.00            #peak  1622
#  4 LEU  QD1    56 SER  HB2     4.20            #peak   169
  4 LEU  QD1    56 SER  HB3     4.60            #peak  1343
#  4 LEU  QD2    56 SER  HB2     4.30            #peak   739
  4 LEU  QD2    56 SER  HB3     4.10            #peak  1748
  4 LEU  QD2    56 SER  HA      5.10            #peak  1327
#  4 LEU  QQD    56 SER  HB2     4.30            #peak   169
  4 LEU  QQD    56 SER  HB3     4.30            #peak  1343
  4 LEU  QQD    56 SER  HG      5.80            #peak  1325
  4 LEU  QQD    56 SER  QB      4.90
  4 LEU  QD1    58 ILE  HA      5.75
  4 LEU  QD2    58 ILE  QD1     5.50
  4 LEU  QD1    58 ILE  H       5.50            #peak   226
  4 LEU  QD2    58 ILE  HA      5.55            #peak  1325
  4 LEU  QD2    59 GLU  H       5.00            #peak  1332
  4 LEU  QD1    59 GLU  H       6.00            #peak  1334
  4 LEU  HG     60 ASP  H       5.50            #peak  1150
  4 LEU  HG     60 ASP  HA      5.25 #5.90
  4 LEU  QD1    60 ASP  H       4.75            #peak  1142
  4 LEU  QQD    60 ASP  H       5.00 #5.30      #peak  1142
  5 PHE  H       5 PHE  QB      3.80            #peak  1858
  5 PHE  HA      6 LYS  QG      5.40 #4.90            #peak  1461
  5 PHE  H       6 LYS  H       4.90            #peak  1530
  5 PHE  H       6 LYS  QD      5.90            #peak  1541
  5 PHE  QD      6 LYS  H       5.50            #peak   767
  5 PHE  H      43 LEU  QD1     4.80
  5 PHE  H      43 LEU  HA      5.40            #peak  1543
  5 PHE  HB3    44 ALA  HB1     4.40
  5 PHE  HD1    44 ALA  H       4.00
  5 PHE  H      44 ALA  HB1     4.70
  5 PHE  H      44 ALA  QB      5.35            #peak  1537
  5 PHE  H      44 ALA  O       2.20  5.00E+02
  5 PHE  O      44 ALA  H       2.25  5.00E+02
  5 PHE  QB     44 ALA  H       4.25            #peak   193
  5 PHE  H      45 ALA  HA      4.10            #peak  1527
  5 PHE  H      45 ALA  H       5.50
  5 PHE  QB     46 GLU  H       5.75            #peak  2092
  6 LYS  HA      6 LYS  QD      5.60            #peak  1255
  6 LYS  H       6 LYS  HG2     4.80            #peak   773
  6 LYS  H       6 LYS  HG3     5.50            #peak   774
  6 LYS  H       6 LYS  QD      5.90            #peak   772
  6 LYS  HA      7 SER  H       3.10            #peak  1257
  6 LYS  QB      7 SER  H       4.00 #3.80            #peak  1263
  6 LYS  QG      7 SER  H       4.90
  6 LYS  HA     43 LEU  HA      2.45  5.00E+02
  6 LYS  HA     43 LEU  QQD     4.80            #peak  1626
  6 LYS  QB     43 LEU  QQD     4.50 #4.80            #peak  1580
  6 LYS  QB     43 LEU  QB      4.20
  6 LYS  HA     44 ALA  H       4.05            #peak  2473
  6 LYS  H      44 ALA  H       5.40            #peak   766
  6 LYS  QE     56 SER  QB      5.50            #peak   732
  6 LYS  HE2    60 ASP  HA      2.90
  6 LYS  QB     60 ASP  QB      4.00
  6 LYS  QE     60 ASP  H       5.50 #5.80           #peak  1149
  6 LYS  QD     60 ASP  QB      4.25
  6 LYS  QD     60 ASP  HA      4.20
  6 LYS  QG     60 ASP  HA      5.10
  6 LYS  QE     60 ASP  QB      5.00
  6 LYS  HE2    63 GLU  HG2     3.60
  6 LYS  QE     63 GLU  QB      4.80
  6 LYS  H      64 LEU  QD2     5.50
  6 LYS  QB     64 LEU  HG      4.40
  6 LYS  QG     64 LEU  QB      4.90
  6 LYS  HE2    64 LEU  HD21    3.30 
  7 SER  H       7 SER  HB2     4.00            #peak  1260
  7 SER  H       7 SER  HB3     3.90            #peak  1261
  7 SER  H       7 SER  QB      3.90            #peak  1261
  7 SER  HA      8 PHE  H       3.90            #peak   174
  7 SER  H       8 PHE  H       5.00            #peak  1256
  7 SER  H      41 GLU  HA      5.05
  7 SER  H      42 MET  H       3.90
  7 SER  QB     42 MET  QB      5.90
  7 SER  H      42 MET  O       2.30  5.00E+02
  7 SER  O      42 MET  H       2.20  5.00E+02
  7 SER  H      43 LEU  HA      4.20 
  7 SER  H      43 LEU  H       5.20
  7 SER  HA     68 TYR  HE2     5.70
  8 PHE  H       8 PHE  HB3     4.40            #peak   157
  8 PHE  H       8 PHE  QB      3.90 
  8 PHE  HA      9 ASP  H       3.40            #peak  1456
#  8 PHE  HB2     9 ASP  H       4.20            #peak  1461
  8 PHE  HB3     9 ASP  H       5.00            #peak  1462
  8 PHE  QB      9 ASP  H       4.20
  8 PHE  HD1    10 ALA  H       6.51
  8 PHE  HA     41 GLU  HA      2.10  5.00E+02
  8 PHE  H      64 LEU  QD1     4.10 #4.00            #peak   159
  8 PHE  HD2    68 TYR  HE2     5.00
  8 PHE  HE2    68 TYR  HD2     3.50
  8 PHE  HZ     68 TYR  QB      3.20
  8 PHE  HZ     68 TYR  QD      3.90
  8 PHE  HZ     68 TYR  HD1     3.56
  8 PHE  QE     68 TYR  QB      3.90 #4.40
  8 PHE  QE     68 TYR  QE      4.50 #4.80
  8 PHE  HZ     69 LYS  H       5.15
  8 PHE  HZ     69 LYS  HA      6.20
  8 PHE  HZ     69 LYS  QG      5.40
  8 PHE  QB     76 PRO  HA      6.00
  8 PHE  QD     77 ASP  QB      6.80
  9 ASP  H       9 ASP  HB2     4.80            #peak  1248
  9 ASP  H       9 ASP  HB3     4.50            #peak  1459
  9 ASP  H       9 ASP  QB      4.40            #peak  1459
  9 ASP  HA     10 ALA  H       3.90            #peak   337
  9 ASP  HA     10 ALA  QB      5.50            #peak  2153
  9 ASP  H      10 ALA  H       4.80            #peak  1446
  9 ASP  HA     11 SER  H       5.50            #peak  1273
  9 ASP  H      12 GLU  H       6.08
  9 ASP  H      13 LYS  H       5.50 #6.75
  9 ASP  QB     39 GLU  HA      5.90 #8.00
  9 ASP  H      40 CYS  HA      5.00
  9 ASP  H      41 GLU  HA      4.00
 10 ALA  H      10 ALA  QB      3.80            #peak   341
 10 ALA  HA     11 SER  H       4.50
 10 ALA  H      11 SER  H       5.00            #peak   335
 10 ALA  QB     11 SER  HA      5.95            #peak  2421
 10 ALA  QB     11 SER  H       5.00            #peak  1280
 10 ALA  QB     12 GLU  HA      5.75 #7.50      #peak  1193
 10 ALA  QB     12 GLU  QB      6.75            #peak  2151
 11 SER  H      11 SER  HB2     5.50            #peak  1274
 11 SER  H      11 SER  HB3     5.50            #peak  1275
 11 SER  H      11 SER  QB      5.50
 11 SER  H      12 GLU  H       4.80            #peak  1268
 11 SER  H      13 LYS  H       6.50            #peak  1269
 11 SER  QB     77 ASP  HA      6.05
 11 SER  QB     77 ASP  QB      5.50 #5.25
 12 GLU  H      12 GLU  HB2     5.00            #peak  2064
 12 GLU  H      12 GLU  HB3     5.00            #peak   378
 12 GLU  H      12 GLU  QB      5.00            #peak   378
 12 GLU  H      13 LYS  H       4.20            #peak   369
 12 GLU  H      40 CYS  HA      4.18
 12 GLU  H      41 GLU  H       4.00            #peak   412
 13 LYS  H      13 LYS  QG      5.00            #peak   825
 13 LYS  HA     14 THR  HA      5.30            #peak  3137
 13 LYS  HA     14 THR  HB      5.50 
 13 LYS  HA     14 THR  H       3.60            #peak  1518
 13 LYS  H      14 THR  H       4.90            #peak  1517
 13 LYS  QB     14 THR  H       3.90
 13 LYS  QD     37 GLN  HA      5.90
 13 LYS  H      40 CYS  HA      3.90
 13 LYS  H      41 GLU  H       3.50            #peak   413
 13 LYS  O      41 GLU  H       2.80
 13 LYS  HA     77 ASP  QB      5.00 #5.75
 13 LYS  HA     79 PRO  QB      4.60            #peak  3138
 13 LYS  HA     79 PRO  QG      3.50            #peak  1212
 13 LYS  HA     79 PRO  QD      4.90            #peak  2559
 13 LYS  HA     80 PHE  HA      5.25 #5.70
 13 LYS  HA    109 VAL  QG2     5.50 #5.21      #peak  1957
 13 LYS  HA    109 VAL  H       5.90            #peak  2007
 13 LYS  QD    109 VAL  HB      5.80 #5.50      #peak  2009
 13 LYS  QB    109 VAL  QG2     4.80 #5.10 
 13 LYS  QG    109 VAL  QG2     5.10 #4.20      #peak  1937
 13 LYS  QD    109 VAL  QG1     4.40
 14 THR  HA     14 THR  QG2     4.80            #peak   559
 14 THR  H      14 THR  QG2     4.90            #peak  1521
 14 THR  H      15 GLN  HA      5.60
 14 THR  QG2    15 GLN  H       3.90            #peak   558
 14 THR  HA     15 GLN  QG      5.80
 14 THR  HA     41 GLU  QB      3.75            #peak   356
 14 THR  QG2    43 LEU  HG      5.85            #peak  1951
 14 THR  HA     43 LEU  QB      6.50            #peak   435
 14 THR  QG2    43 LEU  QD2     4.65            #peak   295
 14 THR  H      79 PRO  O       2.80  5.00E+01
 14 THR  H      79 PRO  QB      5.50
 14 THR  H      79 PRO  HG2     5.25 #4.00      #peak  1522
 14 THR  H      79 PRO  QG      4.90 #4.30      #peak  1522
 14 THR  H      80 PHE  H       5.50  5.00E+02
 14 THR  H      80 PHE  QB      5.70 #5.35      #peak  1523
 14 THR  O      80 PHE  HA      2.80  5.00E+02
 14 THR  QG2    80 PHE  QB      6.25 #5.30            #peak  1459
 14 THR  O      81 VAL  H       2.40  5.00E+02
 14 THR  HB     81 VAL  H       4.40            #peak  2412
 14 THR  H     109 VAL  QG2     5.80
 15 GLN  HE22   33 HIS  HD1     4.60
 15 GLN  H      41 GLU  O       2.70  5.00E+02
 15 GLN  H      41 GLU  QB      4.60
 15 GLN  QB     42 MET  HA      5.00
 15 GLN  H      43 LEU  QB      4.42            #peak   287
 15 GLN  O      43 LEU  H       2.60  5.00E+02
 15 GLN  HA     81 VAL  H       3.00  5.00E+00
 15 GLN  QB     81 VAL  QG2     3.80            #peak  1955
 16 LEU  H      16 LEU  HG      5.00            #peak  2313
 16 LEU  H      16 LEU  QB      3.80            #peak  2611
 16 LEU  HA     17 ILE  QD1     6.40            #peak  2716
 16 LEU  H      17 ILE  QG2     5.10            #peak  2314
 16 LEU  HA     43 LEU  HG      2.80            #peak  1509
 16 LEU  HG     43 LEU  HG      3.00            #peak   296
 16 LEU  HG     43 LEU  QB      5.00            #peak  1302
 16 LEU  HG     43 LEU  QD1     4.20 #3.50            #peak   254
 16 LEU  HG     43 LEU  QD2     3.60            #peak   281
 16 LEU  HG     43 LEU  QQD     3.40            #peak   254
 16 LEU  HA     43 LEU  QQD     5.25            #peak  1533
 16 LEU  QB     43 LEU  HG      4.50 #4.30
 16 LEU  HA     44 ALA  H       5.25
 16 LEU  QD1    58 ILE  QD1     4.00
 16 LEU  QB     80 PHE  QE      4.30
 16 LEU  QD1    80 PHE  HZ      4.00 #3.50
 16 LEU  H      81 VAL  O       2.10  5.00E+00
 16 LEU  H      81 VAL  HA      5.05
 16 LEU  QD2    82 LEU  HG      4.80            #peak  3038
 16 LEU  QD2    82 LEU  HA      4.75
 16 LEU  H      82 LEU  QB      5.50            #peak  2616
 16 LEU  QB     82 LEU  QD1     4.80            #peak  2314
 16 LEU  O      82 LEU  HA      2.60  5.00E+00
 16 LEU  QD2    82 LEU  QD1     4.50            #peak    40
 16 LEU  O      83 PHE  H       2.20  5.00E+00
 16 LEU  H      83 PHE  H       4.75
 16 LEU  QD2    92 THR  HB      6.60
 16 LEU  QD1    96 ALA  QB      5.75 #6.42
 17 ILE  H      17 ILE  QD1     5.50            #peak  2319
 17 ILE  H      17 ILE  QG2     5.00            #peak  2318
 17 ILE  QG2    17 ILE  QD1     5.60            #peak  2713
 17 ILE  HB     18 CYS  H       4.00            #peak  2127
 17 ILE  HB     20 PRO  QB      3.50
 17 ILE  QG2    25 TYR  HE1     6.25
 17 ILE  H      43 LEU  O       2.55  5.00E+02
 17 ILE  H      43 LEU  H       5.10
 17 ILE  H      43 LEU  HG      4.00            #peak  1533
 17 ILE  QG1    43 LEU  H       6.20            #peak   993
 17 ILE  H      44 ALA  H       5.10            #peak   228
 17 ILE  H      44 ALA  HA      3.00            #peak  2712
 17 ILE  QG1    44 ALA  QB      4.10            #peak  1613
 17 ILE  QD1    44 ALA  QB      4.60
 17 ILE  H      45 ALA  H       4.50
 17 ILE  HA     45 ALA  H       5.50
 17 ILE  O      45 ALA  H       2.30  5.00E+02
 17 ILE  QG2    81 VAL  QG2     6.10 #5.50
 17 ILE  HA     82 LEU  HA      4.90
 17 ILE  HA     82 LEU  HG      5.20            #peak  1217
 17 ILE  H      82 LEU  HA      5.50            #peak  1510
 17 ILE  HA     83 PHE  H       3.00  5.00E+00
 17 ILE  HB     83 PHE  QB      4.15
 17 ILE  HB     83 PHE  QD      5.40
 17 ILE  H      83 PHE  H       5.10            #peak  2316
 17 ILE  QG2    83 PHE  H       5.00
 17 ILE  QG2    83 PHE  QD      5.25 
 18 CYS  H      18 CYS  QB      5.00
 18 CYS  HA     44 ALA  H       5.80 #4.00
 18 CYS  H      82 LEU  HG      6.00            #peak  2324
 18 CYS  H      83 PHE  O       2.60  5.00E+00
 18 CYS  H      84 GLY  QA      4.60
 18 CYS  QB     85 HIS  HE1     4.75
 18 CYS  HB2    85 HIS  HE1     4.90
 19 PHE  H      19 PHE  QD      5.50            #peak  2328
 19 PHE  H      19 PHE  QE      6.00            #peak  2327
 19 PHE  H      45 ALA  H       4.90
 19 PHE  HZ     45 ALA  QB      5.30 #5.00
 19 PHE  HZ     47 PRO  HA      5.00 #7.20
 19 PHE  HD1    85 HIS  HE1     3.50 
 19 PHE  HD1    85 HIS  HD1     4.00 
 19 PHE  HE1    85 HIS  HE1     3.90 
 20 PRO  HA     21 PHE  H       3.80            #peak   515
 20 PRO  QB     21 PHE  H       3.70            #peak   517
 20 PRO  QB     83 PHE  QD      5.25
 21 PHE  H      21 PHE  QB      3.80            #peak   519
 21 PHE  QB     22 ALA  QB      6.80
 21 PHE  QE     24 GLY  H       5.50
 21 PHE  HD2    25 TYR  HE2     4.00
 21 PHE  H      25 TYR  HE2     6.18
 21 PHE  QE     25 TYR  QE      5.00
 21 PHE  HE2   212 PHE  HE2     4.67
 21 PHE  HZ    212 PHE  HZ      4.00
 21 PHE  HZ    212 PHE  QE      3.30
 21 PHE  QD    212 PHE  QE      5.90
 21 PHE  HE1   231 PHE  HE2     5.50
 21 PHE  HE1   231 PHE  HZ      2.84
 21 PHE  QE    231 PHE  HZ      5.00
 21 PHE  HZ    231 PHE  HZ      5.50
 21 PHE  QE    231 PHE  QE      5.70
 22 ALA  O      26 SER  H       2.50  5.00E+00
 22 ALA  O      26 SER  N       3.20  5.00E+00
 22 ALA  HA     26 SER  H       4.25
 22 ALA  HA     26 SER  HA      4.80
 22 ALA  HA     27 ALA  H       4.50            #peak   573
 23 GLY  QA     24 GLY  H       3.60
 23 GLY  O      27 ALA  H       4.30  5.00E+00
 23 GLY  O      27 ALA  N       5.10  5.00E+00
 23 GLY  H     231 PHE  HZ      5.50
 24 GLY  H      25 TYR  HA      5.00            #peak  2059
 24 GLY  H      25 TYR  HB3     4.85            #peak  2061
 24 GLY  H      25 TYR  H       4.10            #peak  1548
 24 GLY  H      25 TYR  QB      4.50 
 24 GLY  O      28 SER  H       2.10  5.00E+00
 24 GLY  O      28 SER  N       3.10  5.00E+00
 24 GLY  H     212 PHE  QE      5.10
 24 GLY  H     231 PHE  HZ      3.45
 24 GLY  HA3   235 ASN  H       5.50
 24 GLY  HA3   235 ASN  HA      3.50
 24 GLY  QA    235 ASN  H       5.90
 25 TYR  H      25 TYR  HB2     4.50            #peak  1552
 25 TYR  H      25 TYR  HB3     4.50            #peak  1553
 25 TYR  H      25 TYR  QB      4.20 
 25 TYR  H      25 TYR  QD      5.50            #peak  1546
 25 TYR  H      25 TYR  QE      6.00            #peak  1547
 25 TYR  HA     28 SER  H       3.95
 25 TYR  HD1    29 PHE  HD2     4.34
 25 TYR  QD     29 PHE  QB      5.60 #5.50
 25 TYR  O      29 PHE  H       2.30  5.00E+00
 25 TYR  O      29 PHE  N       3.10  5.00E+00
 25 TYR  HD1    83 PHE  HZ      3.52
 25 TYR  HE1    83 PHE  HE1     3.40 #3.36
 25 TYR  HE1    83 PHE  HE2     4.52
 25 TYR  QD     83 PHE  QE      5.75
 25 TYR  QE     83 PHE  QE      4.60 #5.30
 25 TYR  HE1   111 ILE  QG1     6.60
 25 TYR  QB    212 PHE  QD      3.60
 25 TYR  QD    212 PHE  QD      5.00
 25 TYR  H     212 PHE  QD      4.80
 25 TYR  QB    213 ASP  H       6.40
 25 TYR  H     231 PHE  QE      5.20
 26 SER  HA     27 ALA  QB      6.02            #peak  2150
 26 SER  QB     27 ALA  H       4.10            #peak   574
 26 SER  QB     28 SER  H       5.00 #4.77      #peak  1563
 26 SER  HA     29 PHE  H       4.30            #peak  1574
 26 SER  H      29 PHE  H       5.00
 26 SER  HA     30 ARG  H       4.25 #5.00            #peak  2262
 26 SER  O      30 ARG  H       2.50  5.00E+00
 26 SER  O      30 ARG  N       3.25  5.00E+00
 27 ALA  H      27 ALA  QB      3.80            #peak   575
 27 ALA  HA     28 SER  H       3.80            #peak  1565
 27 ALA  H      28 SER  H       4.20            #peak  1558
 27 ALA  H      28 SER  QB      5.50            #peak   573
 27 ALA  QB     28 SER  H       3.60            #peak  1567
 27 ALA  HA     29 PHE  H       5.25
 27 ALA  HA     30 ARG  H       5.00            #peak  2262
 27 ALA  H      30 ARG  H       5.00            #peak  2068
 27 ALA  O      31 PRO  HA      6.05  5.00E+00
 27 ALA  O      31 PRO  N       4.25  5.00E+00
 27 ALA  QB    239 ILE  QG1     6.40            #peak  2151
 28 SER  H      28 SER  QB      3.80            #peak  2359
 28 SER  H      29 PHE  H       4.30
 28 SER  H      29 PHE  QD      6.50
 28 SER  QB     29 PHE  H       3.80 #3.60            #peak  1526
 28 SER  H      30 ARG  QB      5.80            #peak  2290
 28 SER  O      31 PRO  N       4.20  5.00E+00
 28 SER  HA     31 PRO  QD      4.50
 28 SER  O      32 LEU  H       3.05  5.00E+00
 28 SER  O      32 LEU  N       4.10  5.00E+00
 28 SER  HA     32 LEU  H       5.00
 28 SER  H     210 HIS  HE1     5.60
 28 SER  QB    210 HIS  HE1     3.30
 28 SER  HG    210 HIS  HE1     3.30
 28 SER  HG    210 HIS  NE2     4.00
 28 SER  QB    235 ASN  HA      4.70
 28 SER  H     235 ASN  HA      5.50
 28 SER  HA    238 PRO  QB      4.80            #peak  1772
 28 SER  HA    238 PRO  QG      3.60            #peak  1286
 28 SER  H     238 PRO  QG      6.00            #peak  2105
 29 PHE  H      29 PHE  HB2     4.00            #peak  1573
 29 PHE  H      29 PHE  HB3     4.00            #peak  1542
 29 PHE  H      29 PHE  QB      3.80            #peak  1542
 29 PHE  H      29 PHE  QD      5.50            #peak  1571
 29 PHE  H      30 ARG  H       4.00            #peak  1568
 29 PHE  H      30 ARG  QB      5.75
 29 PHE  QB     30 ARG  H       3.50
 29 PHE  HD1    33 HIS  HD2     3.70 #3.52
 29 PHE  O      33 HIS  H       2.10  5.00E+00
 29 PHE  O      33 HIS  N       3.10  5.00E+00
 29 PHE  HZ     81 VAL  QG2     5.90 #5.50
 29 PHE  QE     81 VAL  QQG     5.90 #5.50
 29 PHE  HE2    83 PHE  HE1     4.50 #5.50
 29 PHE  HE2    83 PHE  HZ      4.15
 29 PHE  QE     83 PHE  HZ      5.00
 29 PHE  HZ    111 ILE  HB      5.00
 29 PHE  HZ    182 VAL  QG1     5.50
 29 PHE  HZ    184 VAL  QG2     5.00 #3.50      #peak  2066
 29 PHE  QD    184 VAL  QG2     5.25 #6.10      #peak  2068
 29 PHE  HA    208 THR  QG2     5.55
 29 PHE  H     210 HIS  QB      6.50
 29 PHE  QD    210 HIS  QB      5.75
 29 PHE  QE    210 HIS  QB      6.50 #5.50
 29 PHE  H     238 PRO  QG      6.00
 30 ARG  H      30 ARG  HB2     4.25            #peak   556
 30 ARG  H      30 ARG  HB3     4.25            #peak   557
 30 ARG  H      30 ARG  HE      5.80            #peak   551
 30 ARG  H      30 ARG  QB      3.90            #peak   557
 30 ARG  H      30 ARG  QD      5.75            #peak   555
 30 ARG  H      31 PRO  QG      5.50            #peak  2260
 30 ARG  H      31 PRO  QD      4.10
 30 ARG  O      34 ALA  H       2.15  5.00E+00
 30 ARG  O      34 ALA  N       3.10  5.00E+00
 30 ARG  HA     34 ALA  QB      5.40
 31 PRO  HA     32 LEU  H       3.80            #peak    84
 31 PRO  HD3    32 LEU  H       5.00
 31 PRO  QB     32 LEU  HA      5.60 #5.50
 31 PRO  QD     32 LEU  H       3.90            #peak  1502
 31 PRO  QG     32 LEU  H       4.00 #3.90      #peak  2342
 31 PRO  HA     34 ALA  QB      4.20            #peak  2335
 31 PRO  HA     34 ALA  H       3.90 
 31 PRO  O      35 PHE  H       2.35  5.00E+00
 31 PRO  O      35 PHE  N       3.10  5.00E+00
 32 LEU  H      32 LEU  HA      3.50            #peak  1500
 32 LEU  H      32 LEU  QB      3.80            #peak  1506
 32 LEU  H      32 LEU  QQD     5.50            #peak  2343
 32 LEU  QB     33 HIS  H       3.50            #peak  2355
 32 LEU  QD1    33 HIS  H       5.25 #4.42      #peak  2351
 32 LEU  QD2    33 HIS  H       5.60            #peak  2350
 32 LEU  QQD    33 HIS  H       5.25            #peak  2351
 32 LEU  H      34 ALA  QB      5.85
 32 LEU  H      34 ALA  H       4.15            #peak  1294
 32 LEU  HA     35 PHE  H       4.50
 32 LEU  O      36 LEU  H       2.50  5.00E+00
 32 LEU  O      36 LEU  N       4.00  5.00E+00
 32 LEU  HA     36 LEU  H       5.10
 32 LEU  QB     36 LEU  QB      6.25
 32 LEU  QD1    36 LEU  HG      6.60 #5.50
 32 LEU  QD1    36 LEU  H       6.00 #5.80            #peak   934
 32 LEU  QD1    36 LEU  QB      5.50 #5.00            #peak  1400
 32 LEU  QD1   182 VAL  QQG     6.00
 32 LEU  HG    208 THR  HA      5.10
 32 LEU  QD1   208 THR  QG2     4.25
 32 LEU  HG    209 PHE  H       5.28
 33 HIS  H      33 HIS  HD2     4.50            #peak  2345
 33 HIS  HB3    34 ALA  H       4.50            #peak  1303
 33 HIS  H      34 ALA  HA      5.34            #peak  2348
 33 HIS  QB     34 ALA  H       3.95            #peak  1302
 33 HIS  H      35 PHE  H       4.30
 33 HIS  HA     37 GLN  QB      5.20            #peak   866
 33 HIS  HA     37 GLN  QE2     4.90            #peak   868
 33 HIS  HA     37 GLN  QG      4.90            #peak   870
 33 HIS  HD1    37 GLN  QE2     4.45 #3.75
 33 HIS  HD1    38 GLY  QA      5.25
 33 HIS  H     208 THR  QG2     6.10
 33 HIS  HA    208 THR  HB      6.00            #peak  2097
 33 HIS  HD2   208 THR  QG2     6.50
 34 ALA  H      34 ALA  HB2     4.50            #peak   742
 34 ALA  HB1    35 PHE  H       4.80
 34 ALA  HB2    35 PHE  H       4.60            #peak  2048
 34 ALA  H      35 PHE  H       3.10            #peak  2043
 34 ALA  H      35 PHE  QB      5.50            #peak  1305
 34 ALA  HA     36 LEU  H       4.80            #peak   936
 34 ALA  QB     36 LEU  H       5.75 #5.50            #peak  2076
 34 ALA  HA     37 GLN  H       4.60            #peak  2084
 34 ALA  H      37 GLN  H       5.50            #peak  1298
 35 PHE  HA     35 PHE  QE      6.50            #peak   937
 35 PHE  H      35 PHE  QB      3.80            #peak  2046
 35 PHE  H      35 PHE  QD      5.80            #peak  2044
 35 PHE  H      36 LEU  H       3.70            #peak   927
 35 PHE  HA     37 GLN  H       4.80
 35 PHE  H      37 GLN  H       4.40            #peak  2079
 36 LEU  HA     37 GLN  HA      4.80            #peak  2617
 36 LEU  H      37 GLN  HA      5.10
 36 LEU  H      37 GLN  H       3.50            #peak  2078
 36 LEU  H      37 GLN  QB      5.50
 36 LEU  H      37 GLN  QG      5.30            #peak   931
 36 LEU  HG    182 VAL  QG2     5.50
 36 LEU  QD2   182 VAL  QG2     4.25
 36 LEU  HG    207 ILE  QG1     6.25            #peak  1398
 36 LEU  QD2   207 ILE  QG2     4.15
 36 LEU  QQD   207 ILE  QG2     5.00
 37 GLN  H      37 GLN  HG2     5.80            #peak  2550
 37 GLN  H      37 GLN  HG3     5.80            #peak  2088
 37 GLN  H      37 GLN  QB      3.80            #peak  2087
 37 GLN  H      37 GLN  QG      5.25            #peak  2550
 37 GLN  H      38 GLY  H       5.00            #peak  2081
 37 GLN  QB     40 CYS  H       5.50            #peak  2041
 38 GLY  H      39 GLU  H       4.40            #peak  1281
 38 GLY  H      40 CYS  H       5.00            #peak  2028
 39 GLU  H      39 GLU  HG2     5.80            #peak  1288
 39 GLU  H      39 GLU  HG3     5.80            #peak  1277
 39 GLU  H      39 GLU  QB      3.80            #peak  1289
 39 GLU  H      39 GLU  QG      5.25            #peak  1288
 39 GLU  H      40 CYS  H       3.30            #peak  2026
 40 CYS  H      40 CYS  HG      5.80            #peak  2035
 40 CYS  H      40 CYS  QB      3.80            #peak  2039
 40 CYS  H      42 MET  H       6.50
 41 GLU  H      41 GLU  QB      3.80            #peak   426
 41 GLU  H      41 GLU  QG      5.00
 41 GLU  QB     64 LEU  QD1     6.00
 41 GLU  QB     77 ASP  QB      6.40
 42 MET  H      42 MET  QB      3.80            #peak    16
 42 MET  H      43 LEU  H       4.65            #peak   431
 42 MET  QB     43 LEU  H       4.50            #peak   436
 43 LEU  HA     43 LEU  QD1     5.50            #peak  1474
 43 LEU  HA     43 LEU  QD2     5.50            #peak   287
 43 LEU  HA     43 LEU  QQD     5.40            #peak  1474
 43 LEU  H      43 LEU  QD1     5.50            #peak  1451
 43 LEU  H      43 LEU  QD2     5.50            #peak  1536
 43 LEU  H      43 LEU  QQD     5.40            #peak  1536
 43 LEU  HA     44 ALA  QB      4.90 #4.50      #peak  1862
 43 LEU  HA     44 ALA  H       3.40            #peak   231
 43 LEU  HG     44 ALA  H       4.13            #peak   237
 43 LEU  QD1    44 ALA  HA      5.15 #4.40      #peak  1595
 43 LEU  QD2    44 ALA  HA      6.20 #5.90      #peak  1510
 43 LEU  QQD    44 ALA  HA      5.50            #peak  1595
 43 LEU  QB     44 ALA  H       4.40 #4.00      #peak  1535
 43 LEU  QD1    45 ALA  HA      5.70            #peak  1579
 43 LEU  QD1    60 ASP  HA      6.00            #peak  1449
 43 LEU  QD1    60 ASP  H       5.70            #peak  1575
 43 LEU  QD2    60 ASP  QB      3.90            #peak   297
 43 LEU  HD21   80 PHE  HD1     5.30            #peak  1501
 43 LEU  QD2    80 PHE  HE1     4.50 #4.80
 43 LEU  HG     82 LEU  HA      6.75            #peak  1497
 44 ALA  H      44 ALA  HB1     4.50            #peak   196
 44 ALA  H      44 ALA  HB2     4.50 
 44 ALA  QB     45 ALA  H       4.10            #peak    77
 44 ALA  H      45 ALA  H       4.80 #5.50      #peak    74
 45 ALA  H      45 ALA  HB2     5.00
 45 ALA  HA     46 GLU  H       4.00            #peak   127
 45 ALA  QB     46 GLU  H       4.25            #peak   133
 46 GLU  H      46 GLU  QB      3.90            #peak   145
 46 GLU  H      46 GLU  QG      5.50            #peak   130
 48 PRO  QG     49 GLY  H       5.60            #peak  1101
 49 GLY  H      50 HIS  H       4.05            #peak  1308
 49 GLY  QA     50 HIS  H       3.80            #peak  1313
 50 HIS  H      50 HIS  QB      3.80            #peak  1314
 50 HIS  H      51 GLY  H       4.60
 50 HIS  QB     51 GLY  H       4.30            #peak  2020
 52 THR  HA     52 THR  QG2     5.50
 52 THR  HA     53 ASN  H       3.80            #peak   786
 52 THR  HB     53 ASN  H       5.00            #peak   418
 52 THR  QG2    53 ASN  HA      5.90 #5.50            #peak   562
 52 THR  QG2    53 ASN  H       4.90 #4.40            #peak   428
 52 THR  H      54 GLN  H       4.52
 52 THR  QG2    54 GLN  H       5.00            #peak  1965
 52 THR  QG2    54 GLN  QG      6.50            #peak  1964
 53 ASN  H      53 ASN  QB      3.90            #peak   424
 53 ASN  H      53 ASN  QD2     5.60            #peak   416
 53 ASN  HA     54 GLN  H       4.00            #peak   166
 53 ASN  H      54 GLN  H       4.40            #peak   165
 53 ASN  H      54 GLN  QG      5.00            #peak  3105
 53 ASN  QB     55 THR  H       6.50            #peak  2289
 54 GLN  HA     54 GLN  QG      5.50            #peak  1206
 54 GLN  H      54 GLN  QB      4.00            #peak   170
 54 GLN  H      54 GLN  QG      5.50            #peak   168
 54 GLN  H      55 THR  H       5.25            #peak   164
 55 THR  HA     55 THR  QG2     5.50            #peak   561
 55 THR  H      55 THR  QG2     5.00            #peak   557
 55 THR  HA     56 SER  H       2.90            #peak  1614
 55 THR  H      56 SER  H       4.90 
 55 THR  QG2    56 SER  H       4.60
 55 THR  QG2    57 ALA  H       5.50            #peak   352
 56 SER  H      56 SER  HG      5.50            #peak  1617
 56 SER  H      56 SER  QB      3.80            #peak  1616
 56 SER  HA     57 ALA  HB1     5.00            #peak  2201
 56 SER  HG     57 ALA  H       3.40            #peak   347
 56 SER  H      57 ALA  HB1     5.25            #peak  1622
 56 SER  H      57 ALA  H       3.70            #peak  1610
 56 SER  QB     57 ALA  H       4.20            #peak   735
 56 SER  QB     59 GLU  H       5.60            #peak   148
 57 ALA  HA     57 ALA  HB1     5.50 
 57 ALA  HA     57 ALA  HB2     5.50            #peak   690
 57 ALA  H      57 ALA  HA      3.10            #peak   348
 57 ALA  H      57 ALA  HB1     4.80            #peak  2372
 57 ALA  H      57 ALA  HB2     4.80 
 57 ALA  HB2    58 ILE  HB      5.75
 57 ALA  HB2    58 ILE  H       5.50
 57 ALA  H      58 ILE  H       4.80            #peak   342
 57 ALA  HB1    59 GLU  QG      5.25            #peak  2243
 57 ALA  HB2    59 GLU  H       6.00
 57 ALA  HB2    59 GLU  QG      5.75            #peak  1714
 57 ALA  HA     92 THR  HA      5.40
 57 ALA  QB     95 LEU  QD2     5.25
 57 ALA  QB     95 LEU  HG      5.75
 57 ALA  QB     95 LEU  QB      6.00
 58 ILE  HA     58 ILE  QG2     5.50            #peak   277
 58 ILE  H      58 ILE  QD1     5.50            #peak   226
 58 ILE  H      58 ILE  QG1     4.80            #peak   224
 58 ILE  H      58 ILE  QG2     5.50            #peak   291
 58 ILE  HA     59 GLU  H       3.60            #peak   143
 58 ILE  HA     59 GLU  QG      5.80            #peak  3061
 58 ILE  HB     59 GLU  H       5.25            #peak   195
 58 ILE  HB     59 GLU  QG      5.50            #peak  1714
 58 ILE  H      59 GLU  QG      6.00
 58 ILE  QG2    59 GLU  H       5.00
 58 ILE  QG2    59 GLU  QG      6.60
 58 ILE  HA     60 ASP  H       3.75            #peak  1137
 58 ILE  QG2    60 ASP  H       5.75            #peak  1485
 58 ILE  QG2    80 PHE  QE      5.25
 58 ILE  QD1    82 LEU  QD1     4.90
 58 ILE  QG1    92 THR  HA      4.25
 58 ILE  QG1    92 THR  HB      5.50
 58 ILE  QD1    93 PHE  HA      6.50            #peak  2595
 58 ILE  HB     95 LEU  QB      3.50
 58 ILE  QG1    95 LEU  H       5.50            #peak   913
 58 ILE  QG1    95 LEU  QD2     5.25
 58 ILE  HB     96 ALA  HB1     4.90            #peak  2262
 58 ILE  HB     96 ALA  H       4.50            #peak  2261
 58 ILE  QD1    96 ALA  HB1     4.70
 58 ILE  QG1    96 ALA  QB      5.25            #peak  2291
 58 ILE  QG1    96 ALA  H       4.20            #peak  2436
 58 ILE  QG2    96 ALA  HA      3.60            #peak   271
 58 ILE  QG2    96 ALA  HB1     3.90            #peak   348
 58 ILE  QG2    96 ALA  HB2     5.20            #peak  2290
 58 ILE  QG2    99 LEU  H       6.50
 59 GLU  H      59 GLU  QB      3.80            #peak   144
 59 GLU  H      59 GLU  QG      5.50
 59 GLU  QB     59 GLU  QG      4.50            #peak  1711
 59 GLU  HB2    60 ASP  H       4.80            #peak  1145
 59 GLU  HB3    60 ASP  H       4.61            #peak  1146
 59 GLU  H      60 ASP  H       3.70            #peak  1134
 59 GLU  QB     60 ASP  H       4.40            #peak  1145
 59 GLU  QB     62 GLU  QG      4.90            #peak  1216
 59 GLU  O      63 GLU  H       2.40  5.00E+00
 59 GLU  O      63 GLU  N       3.10  5.00E+00
 59 GLU  QB     63 GLU  H       4.75            #peak  3044
 59 GLU  QB     63 GLU  QB      5.50            #peak  1225
 59 GLU  HA     99 LEU  QQD     5.20
 60 ASP  H      60 ASP  HB2     5.00            #peak  1139
 60 ASP  H      60 ASP  HB3     4.30            #peak  1140
 60 ASP  H      60 ASP  QB      3.90            #peak  1140
 60 ASP  H      63 GLU  QB      5.67            #peak  1147
 60 ASP  HA     63 GLU  H       4.00
 60 ASP  H      64 LEU  H       5.95
 60 ASP  O      64 LEU  H       2.40  5.00E+00
 60 ASP  O      64 LEU  N       3.10  5.00E+00
 61 LEU  H      61 LEU  QB      3.80            #peak    33
 61 LEU  H      61 LEU  QD1     5.50            #peak    34
 61 LEU  H      62 GLU  H       4.80            #peak  2374
 61 LEU  QB     62 GLU  H       3.80            #peak  2384
 61 LEU  HG     62 GLU  HA      6.35            #peak  2274
 61 LEU  QB     62 GLU  QG      5.75            #peak  1750
 61 LEU  O      65 THR  H       2.40  5.00E+00
 61 LEU  O      65 THR  N       3.10  5.00E+00
 61 LEU  QB     76 PRO  QB      4.50            #peak  1270
 61 LEU  QB     76 PRO  HG3     5.90            #peak   113
 61 LEU  QB     76 PRO  QG      5.75            #peak   113
 61 LEU  QD1    76 PRO  QB      4.80 #4.73      #peak  1272
 61 LEU  QB     77 ASP  H       5.90            #peak  2810
 61 LEU  QD1    77 ASP  H       5.25            #peak  1651
 61 LEU  QD1    77 ASP  QB      5.75
 61 LEU  QB     99 LEU  QB      6.00
 62 GLU  H      62 GLU  HG2     5.50            #peak  2383
 62 GLU  H      62 GLU  HG3     5.50            #peak  2382
 62 GLU  H      62 GLU  QG      5.25            #peak  2383
 62 GLU  HB2    63 GLU  H       5.50            #peak  2398
 62 GLU  HB3    63 GLU  H       4.30            #peak  2192
 62 GLU  HG3    63 GLU  H       4.30            #peak  2395
 62 GLU  H      63 GLU  H       3.80            #peak  2377
 62 GLU  QB     63 GLU  H       3.90            #peak  2398
 62 GLU  QG     63 GLU  H       4.30            #peak  2395
 62 GLU  O      66 ASP  H       2.40  5.00E+00
 62 GLU  O      66 ASP  N       3.10  5.00E+00
 62 GLU  H      99 LEU  QD2     6.00
 62 GLU  QG     99 LEU  QD1     6.00
 63 GLU  HA     63 GLU  QG      5.50            #peak   970
 63 GLU  H      63 GLU  QB      3.80            #peak  2399
 63 GLU  H      63 GLU  QG      5.50
 63 GLU  QB     64 LEU  H       4.20
 63 GLU  H      65 THR  H       5.00 
 63 GLU  HA     66 ASP  H       4.48            #peak   974
 63 GLU  HA     67 LEU  H       4.13            #peak  2249
 63 GLU  HA     67 LEU  QB      6.00            #peak   971
 63 GLU  O      67 LEU  H       2.40  5.00E+00
 63 GLU  O      67 LEU  N       3.10  5.00E+00
 63 GLU  QB     67 LEU  QB      6.50
 63 GLU  QG     67 LEU  H       5.00            #peak  2267
 64 LEU  QB     65 THR  H       4.00            #peak  2408
 64 LEU  QD1    65 THR  H       5.35            #peak  2407
 64 LEU  QB     65 THR  QG2     5.15            #peak  1955
 64 LEU  O      68 TYR  H       2.40  5.00E+00
 64 LEU  O      68 TYR  N       3.10  5.00E+00
 65 THR  H      65 THR  QG2     5.50            #peak   558
 65 THR  QG2    66 ASP  H       4.90            #peak   428
 65 THR  O      69 LYS  H       2.30  5.00E+00
 65 THR  O      69 LYS  N       3.10  5.00E+00
 65 THR  QG2    76 PRO  HA      4.40
 65 THR  QG2    76 PRO  QB      4.70
 66 ASP  H      66 ASP  HB2     5.00            #peak   425
 66 ASP  H      66 ASP  HB3     4.30            #peak   421
 66 ASP  H      66 ASP  QB      3.90            #peak   421
 66 ASP  QB     67 LEU  H       3.60            #peak  2248
 66 ASP  O      70 GLN  H       2.50  5.00E+00
 66 ASP  O      70 GLN  N       3.10  5.00E+00
 67 LEU  H      67 LEU  QB      4.00            #peak  2250
 68 TYR  HA     70 GLN  H       4.00
 69 LYS  QB     73 ASN  HA      5.50
 69 LYS  QB     74 LEU  H       4.75
 69 LYS  QG     76 PRO  HA      6.25
 75 ARG  QB     76 PRO  QD      4.50
 76 PRO  HA     77 ASP  QB      5.90            #peak  3214
 76 PRO  HG2    77 ASP  H       5.75
 76 PRO  HG3    77 ASP  H       4.55            #peak  1647
 76 PRO  QB     77 ASP  H       4.40 #5.00      #peak  1646
 76 PRO  QB     77 ASP  QB      6.40            #peak  2894
 76 PRO  QD     77 ASP  H       5.35            #peak  1643
 76 PRO  QG     77 ASP  HA      6.50 #6.00
 76 PRO  QG     77 ASP  H       4.55            #peak  1647
 76 PRO  HA     78 ARG  H       6.50
 77 ASP  H      77 ASP  HA      3.80
 77 ASP  H      77 ASP  HB2     5.00            #peak  1644
 77 ASP  H      77 ASP  HB3     4.80            #peak  1645
 77 ASP  H      77 ASP  QB      4.20            #peak  1645
 77 ASP  HA     78 ARG  H       3.10            #peak   542
 77 ASP  H      78 ARG  HA      5.35            #peak  1641
 77 ASP  H      78 ARG  H       5.05
 77 ASP  QB     78 ARG  H       3.75            #peak   547
 78 ARG  H      78 ARG  HA      3.50            #peak   541
 78 ARG  H      78 ARG  HE      6.50            #peak   540
 78 ARG  H      78 ARG  QB      4.50            #peak   544
 78 ARG  H      78 ARG  QD      5.80            #peak   546
 78 ARG  H      78 ARG  QG      5.50            #peak   543
 78 ARG  QB     79 PRO  QD      5.20            #peak  3308
 78 ARG  HA    104 ILE  QD1     4.40
 78 ARG  HA    104 ILE  QG2     3.50
 78 ARG  QB    104 ILE  HB      5.80
 78 ARG  QB    104 ILE  QD1     5.50
 78 ARG  H     104 ILE  QG2     5.50
 78 ARG  HA    107 GLN  H       6.50
 78 ARG  HA    108 ALA  H       5.50
 79 PRO  HA     80 PHE  H       2.90            #peak  1512
 79 PRO  QB     80 PHE  H       3.75            #peak  1514
 79 PRO  QG     80 PHE  H       5.45            #peak    75
 79 PRO  HA    100 GLU  QG      6.75
 79 PRO  HA    108 ALA  QB      5.00            #peak  1961
 79 PRO  QB    108 ALA  H       4.50 #5.00      #peak  1986
 79 PRO  QB    108 ALA  QB      4.50            #peak  1947
 79 PRO  QD    108 ALA  QB      5.40
 79 PRO  QB    109 VAL  H       4.30            #peak   526
 79 PRO  HA    109 VAL  H       3.60 #3.00
 79 PRO  QB    109 VAL  QG1     5.00
 80 PHE  H      80 PHE  QD      6.50
 80 PHE  H      81 VAL  QG1     5.00 
 80 PHE  HZ     82 LEU  QD1     4.50
 80 PHE  HZ     96 ALA  HA      4.15
 80 PHE  HZ     96 ALA  QB      4.30
 80 PHE  QD    100 GLU  QG      5.50 #4.00
 80 PHE  H     108 ALA  H       5.25
 80 PHE  H     109 VAL  H       4.50
 80 PHE  H     109 VAL  O       2.30  5.00E+02
 80 PHE  O     110 ILE  HA      2.40
 80 PHE  H     110 ILE  HA      3.50
 80 PHE  O     111 ILE  H       2.85 #3.80  5.00E+02
 81 VAL  H      81 VAL  HB      4.25            #peak   534
 81 VAL  H      81 VAL  QG1     5.50            #peak  2095
 81 VAL  H      81 VAL  QG2     5.50            #peak  1791
 81 VAL  QG1    82 LEU  H       5.00            #peak  2094
 81 VAL  QG2    82 LEU  H       5.10            #peak   332 
 81 VAL  QG1   109 VAL  HB      5.25            #peak  1999
 81 VAL  HA    110 ILE  HA      3.40 #3.75
 81 VAL  HA    110 ILE  QG2     5.20 #5.00      #peak  2092            
 81 VAL  H     110 ILE  HA      5.20
 81 VAL  HB    110 ILE  HA      5.02 #4.50            #peak  2483
 81 VAL  QG1   110 ILE  HA      4.10
 81 VAL  HA    111 ILE  H       2.75 #3.25
 81 VAL  HB    111 ILE  HB      3.25
 81 VAL  HB    111 ILE  QG2     2.80
 81 VAL  HA    111 ILE  QG2     3.60            #peak   537
 81 VAL  QG1   111 ILE  HB      3.90 #4.75            #peak  2874
 81 VAL  QG1   111 ILE  H       3.75 #5.00            #peak  2501
 81 VAL  QG2   111 ILE  QG2     5.10 #4.00            #peak  2087
 81 VAL  QG2   111 ILE  HB      5.50 #5.10            #peak  1534
 81 VAL  QG2   111 ILE  H       5.75 #6.70            #peak  2363
 81 VAL  HB    111 ILE  QG1     5.30            #peak  1784
 81 VAL  QG1   182 VAL  QG1     6.25 #6.50
 81 VAL  HB    184 VAL  HB      5.85
 81 VAL  QG1   184 VAL  H       6.25
 82 LEU  H      82 LEU  HG      5.00
 82 LEU  H      82 LEU  QB      3.80            #peak   330
 82 LEU  H      82 LEU  QD2     5.80
 82 LEU  H      82 LEU  QD1     6.50            #peak   331
 82 LEU  QB     82 LEU  HG      4.50            #peak    48
 82 LEU  HG     83 PHE  H       4.00            #peak   325
 82 LEU  QD1    83 PHE  H       5.40            #peak   326
 82 LEU  QD2    83 PHE  H       5.50            #peak   327
 82 LEU  QQD    83 PHE  H       5.30            #peak   326
 82 LEU  QD2    92 THR  QG2     6.50 #5.65
 82 LEU  QD1    92 THR  HA      6.25
 82 LEU  QD2    93 PHE  HA      4.50 #3.50
 82 LEU  QD2    93 PHE  QD      4.30 #4.10
 82 LEU  QQD    93 PHE  QD      5.10
# 82 LEU  HB2    96 ALA  HB1     5.00            #peak  2296
# 82 LEU  HB2    96 ALA  HB2     5.50            #peak  2296
 82 LEU  HB3    96 ALA  HB1     5.50            #peak  2295
 82 LEU  HB3    96 ALA  HB3     4.25            #peak  2295
 82 LEU  QB     96 ALA  QB      4.75
 82 LEU  HG     96 ALA  QB      5.20
 82 LEU  QD1    96 ALA  QB      3.50
 82 LEU  QD2    96 ALA  HB2     5.75
 82 LEU  QD1    96 ALA  H       5.10
 82 LEU  QD1    97 GLN  H       5.75
 82 LEU  H     110 ILE  QG2     5.90 #6.00            #peak  2486
 82 LEU  H     110 ILE  HA      5.20
 82 LEU  H     111 ILE  H       3.50
 82 LEU  H     111 ILE  HB      4.80 #5.15
 82 LEU  H     111 ILE  O       2.67 #3.60  5.00E+02
 82 LEU  H     111 ILE  QG2     4.05
 82 LEU  H     111 ILE  QG1     5.95 #5.75            #peak   333
 82 LEU  O     112 SER  HA      6.00  5.00E+02
 82 LEU  O     113 ALA  H       6.00 #5.25
 83 PHE  H      84 GLY  H       5.50            #peak  1653
 83 PHE  QD     84 GLY  H       5.50
 83 PHE  QB     85 HIS  H       6.00
 83 PHE  HA    111 ILE  QG2     5.20 #4.90            #peak   327
 83 PHE  HA    111 ILE  QD1     4.95 #4.50
 83 PHE  QD    111 ILE  QD1     4.75 #4.40            #peak  1451
 83 PHE  HZ    111 ILE  QD1     4.60
 83 PHE  QE    111 ILE  HB      5.75 #5.20            #peak  1452
 83 PHE  HZ    184 VAL  HB      4.90
 83 PHE  HZ    184 VAL  QG1     4.00 #3.80
 83 PHE  QE    184 VAL  QG1     5.00
 83 PHE  QD    186 ASN  QB      6.75 #6.50
 84 GLY  H      85 HIS  HA      5.90 
 84 GLY  H      85 HIS  H       4.80
 84 GLY  QA     92 THR  QG2     6.50 #5.77
 84 GLY  H     113 ALA  QB      5.00
 84 GLY  H     114 ILE  H       7.00 #6.50
 85 HIS  HB3    87 MET  HG3     4.10
 85 HIS  HD2    89 GLY  QA      4.80
 85 HIS  HD2    92 THR  QG2     6.50
 85 HIS  H      92 THR  QG2     6.25
# 85 HIS  QB     92 THR  QG2     6.75
 86 SER  H      88 GLY  H       5.20
# 86 SER  H      89 GLY  H       6.96
 86 SER  QB    187 GLY  QA      6.30
 86 SER  HA    189 ASP  H       6.30
 86 SER  QB    189 ASP  H       6.50
# 86 SER  HB2   189 ASP  HB3     4.50
 86 SER  QB    189 ASP  QB      4.50
 86 SER  QB    216 HIS  HE1     5.90
 87 MET  HA     88 GLY  H       5.00            #peak  2009
 87 MET  HG3    88 GLY  H       3.55            #peak  2654
 87 MET  QG     88 GLY  H       4.90            #peak  2006
 88 GLY  H      89 GLY  H       5.55            #peak  1667
 88 GLY  QA    155 PHE  HZ      3.40
 89 GLY  H      90 MET  H       4.80            #peak   438
 89 GLY  H      90 MET  QG      6.30            #peak  1674
 89 GLY  H      91 ILE  H       5.55            #peak  1669
 89 GLY  QA     91 ILE  QD1     6.75            #peak  1675
 89 GLY  H      91 ILE  QG1     6.75            #peak  1675
 89 GLY  O      93 PHE  H       2.20  5.00E+00
 89 GLY  O      93 PHE  N       3.20  5.00E+00
 89 GLY  HA3   114 ILE  QD1     4.00
 90 MET  H      90 MET  HG2     5.00            #peak   450
 90 MET  H      90 MET  HG3     5.00            #peak   447
 90 MET  H      90 MET  QB      3.90            #peak   445
 90 MET  H      90 MET  QG      5.00            #peak   447
 90 MET  H      91 ILE  H       4.35            #peak  1154
 90 MET  QG     91 ILE  H       4.63            #peak  1159
 90 MET  QG     91 ILE  QG1     5.50
 90 MET  O      94 ARG  H       2.10  5.00E+00
 90 MET  O      94 ARG  N       3.10  5.00E+00
 90 MET  HA    150 LYS  HG3     5.45
 90 MET  HA    150 LYS  QG      5.75            #peak  1410
# 90 MET  HB2   150 LYS  HE2     3.90
 90 MET  H     150 LYS  HG3     6.72
 90 MET  QB    150 LYS  QE      6.00
 90 MET  QB    150 LYS  QG      5.30            #peak  1405
 90 MET  QG    150 LYS  QE      5.00
 90 MET  QG    150 LYS  QG      5.00            #peak  3292
 90 MET  HA    151 GLU  HA      5.40
 90 MET  HA    154 SER  QB      3.00
 90 MET  HA    155 PHE  QD      4.90
 90 MET  QB    155 PHE  HZ      5.00
 91 ILE  HA     91 ILE  QD1     5.80            #peak  2701
 91 ILE  HB     91 ILE  QD1     5.90            #peak  2700
 91 ILE  H      91 ILE  HB      4.40            #peak  1156
 91 ILE  H      91 ILE  QD1     6.25
 91 ILE  H      91 ILE  QG1     5.90            #peak  1157
 91 ILE  HB     92 THR  H       4.60            #peak  2416
 91 ILE  H      92 THR  H       5.50            #peak  1155
 91 ILE  QD1    92 THR  H       5.25 #4.95
 91 ILE  QG1    92 THR  H       4.70            #peak  2418
 91 ILE  H      94 ARG  H       4.80            #peak  2440
 91 ILE  H      94 ARG  QB      5.65            #peak  3039
 91 ILE  QG1    94 ARG  H       6.00            #peak  2448
 91 ILE  QG2    94 ARG  H       6.30            #peak  2448
 91 ILE  O      95 LEU  H       2.35  5.00E+00
 91 ILE  O      95 LEU  N       3.20  5.00E+00
 92 THR  H      92 THR  QG2     5.50
 92 THR  O      96 ALA  H       2.20  5.00E+00
 92 THR  O      96 ALA  N       3.10  5.00E+00
 92 THR  QG2   114 ILE  QD1     5.50            #peak  2184
 93 PHE  QB     94 ARG  H       3.70            #peak  2444
 93 PHE  HA     96 ALA  HA      5.50
 93 PHE  HA     96 ALA  HB2     3.00            #peak  2263
 93 PHE  O      97 GLN  H       2.10  5.00E+00
 93 PHE  O      97 GLN  N       3.00  5.00E+00
 93 PHE  HZ    112 SER  HA      2.80            #peak  2198
 93 PHE  HZ    112 SER  QB      4.50            #peak  2199
 93 PHE  HZ    113 ALA  H       3.80            #peak  2595
 93 PHE  HE2   113 ALA  H       2.80            #peak  2173
 93 PHE  HD    114 ILE  HB      5.00
 93 PHE  HZ    114 ILE  QD1     5.60
 93 PHE  QD    155 PHE  HA      5.10
 93 PHE  HZ    156 PHE  QB      3.40 
 93 PHE  HE2   156 PHE  HD1     3.90
 93 PHE  HZ    156 PHE  QD      3.80
 94 ARG  H      94 ARG  QG      5.50            #peak  2445
 94 ARG  H      95 LEU  H       4.17            #peak  2438
 94 ARG  H      95 LEU  QD1     5.75
 94 ARG  QB     95 LEU  H       3.77
 94 ARG  QB     95 LEU  QD1     4.80
 94 ARG  H      97 GLN  QB      5.80            #peak  2446
 94 ARG  O      98 LYS  H       2.30  5.00E+00
 94 ARG  O      98 LYS  N       3.10  5.00E+00
 94 ARG  H     154 SER  HA      4.30            #peak  2153
 94 ARG  HA    154 SER  HA      3.20
 94 ARG  QB    154 SER  HA      5.30            #peak  2149
 94 ARG  QB    154 SER  QB      4.50            #peak   759
 95 LEU  HA     95 LEU  HD22    5.90            #peak  2412
 95 LEU  H      95 LEU  HD21    5.50            #peak   914
 95 LEU  H      95 LEU  HG      5.25            #peak   911
 95 LEU  H      95 LEU  QD1     5.50
 95 LEU  HA     96 ALA  H       3.60            #peak  2429
 95 LEU  H      96 ALA  H       4.47            #peak  2426
 95 LEU  HA     99 LEU  H       4.20
 95 LEU  O      99 LEU  H       2.10  5.00E+00
 95 LEU  O      99 LEU  N       3.10  5.00E+00
 96 ALA  H      96 ALA  HB1     4.50
 96 ALA  H      96 ALA  HB2     4.50
 96 ALA  HB2    97 GLN  H       3.80
 96 ALA  H      97 GLN  H       4.20            #peak  2428
 96 ALA  H      98 LYS  H       4.70
 96 ALA  HA     99 LEU  H       4.25
 96 ALA  O     100 GLU  H       2.10  5.00E+00
 96 ALA  O     100 GLU  N       3.10  5.00E+00
 97 GLN  H      97 GLN  HB2     4.50            #peak  2457
 97 GLN  H      97 GLN  HB3     4.50            #peak  2458
 97 GLN  H      97 GLN  QB      3.80            #peak  2457
 97 GLN  H      97 GLN  QE2     6.00
 97 GLN  H      97 GLN  QG      5.50
 97 GLN  H      98 LYS  H       4.30            #peak  2450
 97 GLN  QB     98 LYS  H       4.20            #peak  1339
 97 GLN  QG     98 LYS  H       5.50            #peak  1337
 97 GLN  H      99 LEU  H       5.50            #peak   818
 97 GLN  H      99 LEU  QB      6.25            #peak  2460
 97 GLN  HA    100 GLU  H       5.50            #peak   918
 97 GLN  HA    101 ARG  H       4.80
 97 GLN  O     101 ARG  H       2.30  5.00E+00
 97 GLN  O     101 ARG  N       3.30  5.00E+00
 97 GLN  H     154 SER  HA      6.00
 97 GLN  QG    167 LEU  HG      5.05
 98 LYS  H      98 LYS  QB      3.80            #peak  1338
 98 LYS  H      98 LYS  QZ      6.50            #peak  2462
 98 LYS  H      99 LEU  H       5.50            #peak  1335
 98 LYS  QB     99 LEU  H       4.00 #3.38      #peak   813
 98 LYS  QD     99 LEU  HA      5.75
 98 LYS  QD     99 LEU  H       5.40 
 98 LYS  QZ     99 LEU  H       5.75            #peak   810
 98 LYS  QB    100 GLU  H       5.90            #peak  2145
 98 LYS  H     101 ARG  H       5.65
 98 LYS  HA    102 GLU  H       4.39            #peak  1503
 98 LYS  O     102 GLU  H       2.10  5.00E+00
 98 LYS  O     102 GLU  N       3.10  5.00E+00
 98 LYS  QD    102 GLU  H       5.75            #peak  1508
 99 LEU  HA     99 LEU  HG      5.00            #peak  1101
 99 LEU  HA     99 LEU  QD1     5.90            #peak  1109
 99 LEU  HA     99 LEU  QD2     5.90            #peak  1165
 99 LEU  HA     99 LEU  QQD     5.50 
 99 LEU  H      99 LEU  HB2     4.20
 99 LEU  H      99 LEU  HB3     4.20
 99 LEU  H      99 LEU  QB      3.80            #peak   813
 99 LEU  H      99 LEU  QD1     5.80            #peak   812
 99 LEU  H      99 LEU  QD2     5.80            #peak   812
 99 LEU  H      99 LEU  QQD     5.40
 99 LEU  QB    100 GLU  H       4.40 
 99 LEU  QQD   100 GLU  H       5.30            #peak   923
 99 LEU  HA    101 ARG  H       5.30            #peak  1233
 99 LEU  H     101 ARG  H       5.75            #peak   818
 99 LEU  HA    102 GLU  H       3.90 
 99 LEU  HA    102 GLU  QB      4.43            #peak  2403
 99 LEU  H     102 GLU  H       5.50            #peak   810
 99 LEU  HA    103 GLY  H       4.37            #peak  1098
 99 LEU  O     103 GLY  H       2.20  5.00E+00
 99 LEU  O     103 GLY  N       3.10  5.00E+00
100 GLU  H     100 GLU  QB      3.80            #peak    58
100 GLU  QB    100 GLU  QG      3.50            #peak    62
100 GLU  H     101 ARG  H       3.81            #peak   837
100 GLU  H     101 ARG  QG      5.60            #peak   922
100 GLU  QB    101 ARG  H       2.80            #peak   842
100 GLU  QB    101 ARG  QG      5.75            #peak   141
100 GLU  H     102 GLU  HG2     5.90            #peak  3078
100 GLU  H     102 GLU  HG3     5.75            #peak  3078
100 GLU  H     102 GLU  QB      5.75            #peak   920
100 GLU  HA    103 GLY  H       4.00
100 GLU  O     104 ILE  H       2.40  5.00E+00
100 GLU  O     104 ILE  N       3.10  5.00E+00
100 GLU  QB    107 GLN  QG      5.50
100 GLU  QB    110 ILE  QG2     5.75
100 GLU  QG    110 ILE  QG2     5.50 
101 ARG  HA    101 ARG  QD      6.00            #peak  1075
101 ARG  HA    101 ARG  QG      4.90            #peak  1287
101 ARG  H     101 ARG  QD      5.90            #peak   869
101 ARG  H     101 ARG  QG      5.50            #peak   843
101 ARG  QG    101 ARG  QH1     6.50            #peak  1291
101 ARG  HD2   102 GLU  H       5.50            #peak  1501
101 ARG  HD3   102 GLU  H       4.90            #peak  2465
101 ARG  H     102 GLU  H       3.30            #peak  1496
101 ARG  H     102 GLU  QB      5.40            #peak   852
101 ARG  QB    102 GLU  H       3.95 
101 ARG  QD    102 GLU  H       4.80            #peak  2465
101 ARG  QD    102 GLU  QB      5.60            #peak  3075
101 ARG  QG    102 GLU  H       2.88            #peak  1507
101 ARG  HA    103 GLY  H       4.28 
101 ARG  H     103 GLY  H       4.32            #peak  1993
101 ARG  HA    105 PHE  HD2     4.90 
101 ARG  HA    105 PHE  H       5.04
101 ARG  HA    107 GLN  H       6.50
101 ARG  QD    167 LEU  QB      6.10
101 ARG  QD    167 LEU  QD1     5.00
102 GLU  H     102 GLU  QG      4.90            #peak  1505
102 GLU  H     103 GLY  H       3.20            #peak  1497
102 GLU  QB    103 GLY  H       4.25            #peak  1999
102 GLU  QG    103 GLY  H       4.80            #peak  2000
102 GLU  H     104 ILE  H       4.40            #peak   311
103 GLY  H     104 ILE  HB      5.75            #peak  2001
103 GLY  H     104 ILE  QG2     6.00
103 GLY  QA    104 ILE  HB      4.65            #peak  1682
104 ILE  HA    104 ILE  QG1     5.00            #peak   924
104 ILE  HA    104 ILE  QG2     5.00            #peak  2279
104 ILE  H     104 ILE  HB      3.90
104 ILE  H     104 ILE  QG2     4.75            #peak   319
104 ILE  HA    105 PHE  H       3.20            #peak   396
104 ILE  HB    105 PHE  H       5.50 
104 ILE  H     105 PHE  H       4.95            #peak   309
104 ILE  QG1   105 PHE  H       4.20            #peak  1273
104 ILE  QG2   105 PHE  H       5.05
104 ILE  QG1   107 GLN  HA      6.50 #5.57
104 ILE  QD1   107 GLN  HA      5.65            #peak  1017
104 ILE  QG2   107 GLN  HA      4.35
104 ILE  QG2   107 GLN  H       5.85
104 ILE  QD1   108 ALA  H       6.00
104 ILE  QG2   108 ALA  H       6.30
105 PHE  H     105 PHE  HB2     4.50            #peak   399
105 PHE  H     105 PHE  HB3     4.50            #peak   402
105 PHE  H     105 PHE  QB      4.00
105 PHE  H     106 PRO  HG3     6.50            #peak  2467
105 PHE  H     106 PRO  QG      5.00            #peak   401
105 PHE  HA    107 GLN  H       5.00            #peak  1231
105 PHE  HA    107 GLN  QG      5.35            #peak  2578
105 PHE  HE2   168 GLU  HA      4.40
105 PHE  HE2   168 GLU  HB3     3.60
105 PHE  HE1   170 PHE  HD1     5.15 
105 PHE  HE2   170 PHE  HD1     5.10
105 PHE  HZ    170 PHE  QB      5.75
105 PHE  HZ    170 PHE  HD1     3.70 
106 PRO  HA    107 GLN  H       3.50            #peak  2371
106 PRO  QD    107 GLN  H       5.50            #peak  2477
106 PRO  QB    107 GLN  H       4.75
106 PRO  QG    107 GLN  H       5.79 #4.80 
107 GLN  HA    107 GLN  QG      5.50            #peak  1011
107 GLN  H     107 GLN  QB      3.80            #peak  2478
107 GLN  QB    107 GLN  QE2     5.50            #peak  3042
#107 GLN  HB2   108 ALA  H       4.00
107 GLN  HB3   108 ALA  H       3.90            #peak  1984
107 GLN  H     108 ALA  H       5.00            #peak  2469
107 GLN  QB    108 ALA  H       3.50            #peak  1985
107 GLN  QG    108 ALA  H       5.00            #peak  1985
107 GLN  HA    109 VAL  H       5.30
107 GLN  QB    110 ILE  QD1     5.50            #peak  1423
107 GLN  QB    110 ILE  QG1     4.50            #peak  1421
107 GLN  QB    110 ILE  QG2     6.15            #peak  2506
107 GLN  QG    110 ILE  QG1     5.25            #peak  1459
107 GLN  QG    110 ILE  QG2     5.80            #peak  2481
107 GLN  QG    110 ILE  QD1     4.50 #3.80
108 ALA  H     108 ALA  QB      3.80            #peak  1987
108 ALA  H     109 VAL  H       3.10            #peak  1977
108 ALA  H     109 VAL  QG1     5.90            #peak  1958
108 ALA  H     109 VAL  QG2     5.75            #peak  2036
108 ALA  H     109 VAL  QQG     5.70            #peak  2036
108 ALA  QB    109 VAL  H       3.40            #peak   527
108 ALA  QB    109 VAL  QG1     4.75            #peak   564
108 ALA  QB    109 VAL  QG2     5.50            #peak  1847
108 ALA  QB    109 VAL  QQG     5.30            #peak   564
108 ALA  HA    181 PRO  HA      4.85
108 ALA  QB    181 PRO  HA      5.50 #5.10
108 ALA  QB    181 PRO  QB      5.60            #peak  1948
108 ALA  HA    182 VAL  H       5.10
108 ALA  O     182 VAL  H       3.00
109 VAL  H     109 VAL  QG1     5.50            #peak   529
109 VAL  H     109 VAL  QG2     5.50            #peak   529
109 VAL  H     109 VAL  QQG     5.10            #peak   529
109 VAL  HA    110 ILE  HA      5.50            #peak  1608
109 VAL  HA    110 ILE  QG1     5.30            #peak  2178
109 VAL  H     110 ILE  QD1     6.25
109 VAL  QG2   110 ILE  HA      5.50            #peak  2028
109 VAL  HB    110 ILE  H       4.25            #peak  2482
109 VAL  QG2   110 ILE  QG1     5.75            #peak  2000
109 VAL  HA    181 PRO  HA      5.50
109 VAL  HA    181 PRO  QB      5.25
109 VAL  HA    182 VAL  H       3.40
109 VAL  HB    182 VAL  HB      4.00            #peak  2068
109 VAL  HA    182 VAL  O       2.40  5.00E+02
109 VAL  H     182 VAL  HB      5.20
109 VAL  QG1   182 VAL  HB      3.10            #peak  1935
109 VAL  HA    182 VAL  H       3.40
109 VAL  QQG   182 VAL  QQG     4.80            #peak   553
110 ILE  H     110 ILE  QG1     4.90            #peak    56
110 ILE  H     110 ILE  QG2     5.50            #peak  2482
110 ILE  HA    111 ILE  H       3.25            #peak   101
110 ILE  HB    111 ILE  H       4.25
110 ILE  QG2   111 ILE  HA      5.10
110 ILE  QG2   111 ILE  H       3.55            #peak  2516
110 ILE  HB    112 SER  H       6.40
110 ILE  QG2   112 SER  HA      5.90
110 ILE  H     182 VAL  O       2.80  5.00E+02
110 ILE  H     182 VAL  HB      4.70
110 ILE  H     183 HIS  HA      3.25
110 ILE  H     183 HIS  H       5.05  5.00E+02
110 ILE  O     183 HIS  HA      2.60
110 ILE  O     184 VAL  H       2.70  5.00E+02
111 ILE  HA    111 ILE  HB      3.90
111 ILE  HA    111 ILE  QD1     5.90            #peak  2368
111 ILE  HA    111 ILE  QG1     5.80
111 ILE  QG2   111 ILE  QD1     5.50            #peak  2361
111 ILE  QD1   112 SER  H       5.35            #peak  2370
111 ILE  QD1   113 ALA  QB      5.00
111 ILE  HB    183 HIS  HA      5.20
111 ILE  HA    184 VAL  O       3.50  5.00E+02
111 ILE  HB    184 VAL  HB      3.35
111 ILE  QG1   184 VAL  HB      3.02            #peak  2364
111 ILE  HB    184 VAL  QG2     5.50            #peak  2059
111 ILE  QG1   184 VAL  QG1     3.95            #peak  2360
111 ILE  HB    184 VAL  QG1     5.25            #peak  2059
111 ILE  QG2   184 VAL  QQG     6.50            #peak  2062
111 ILE  HA    184 VAL  H       2.80
111 ILE  HA    185 PHE  HA      5.00
112 SER  QB    156 PHE  QD      5.25
112 SER  H     184 VAL  O       2.40  5.00E+02
112 SER  H     185 PHE  HA      3.60  5.00E+02
112 SER  O     186 ASN  H       3.50  5.00E+02
113 ALA  HA    114 ILE  H       4.55            #peak  1967
113 ALA  H     114 ILE  H       5.50            #peak    18
113 ALA  QB    114 ILE  HA      5.80            #peak  2172
113 ALA  QB    114 ILE  H       4.90            #peak  1972
113 ALA  QB    114 ILE  QG1     6.50            #peak  2170
113 ALA  H     156 PHE  QB      4.50
113 ALA  QB    186 ASN  H       5.75
113 ALA  HA    187 GLY  H       5.50
114 ILE  H     114 ILE  HB      5.50            #peak  1968
114 ILE  H     114 ILE  QG1     5.90            #peak  1974
114 ILE  H     114 ILE  QG2     5.90            #peak  1976
114 ILE  QG2   114 ILE  HG12    5.90            #peak    72
114 ILE  QG2   114 ILE  HG13    5.90            #peak  1244
114 ILE  H     115 GLN  H       4.80            #peak  1963
114 ILE  HA    155 PHE  HA      6.50
114 ILE  HB    155 PHE  HA      3.75
114 ILE  QG2   155 PHE  QD      5.20
114 ILE  HB    156 PHE  QB      5.75
#114 ILE  H     186 ASN  O       5.50  5.00E+01
#114 ILE  H     187 GLY  QA      5.50  5.00E+01
#114 ILE  H     188 LEU  H       6.50
115 GLN  HA    155 PHE  QB      5.50
115 GLN  QG    156 PHE  QB      6.75
115 GLN  HA    157 LEU  HA      3.90
115 GLN  QG    157 LEU  HA      5.05
115 GLN  HA    157 LEU  H       5.80
115 GLN  HA    158 PRO  QD      4.40
#115 GLN  H     188 LEU  H       3.50
115 GLN  QB    188 LEU  H       4.50
115 GLN  QB    188 LEU  HA      5.50
115 GLN  H     188 LEU  HA      6.50
116 PRO  QB    118 HIS  H       4.50
116 PRO  QD    156 PHE  H       5.75
116 PRO  QG    157 LEU  H       5.25
116 PRO  QD    158 PRO  QD      5.50
116 PRO  HA    188 LEU  H       5.75 
117 PRO  QB    118 HIS  H       4.45            #peak  1953
117 PRO  QG    118 HIS  H       4.70            #peak  1954
117 PRO  QB    119 ILE  QD1     6.55            #peak  2918
117 PRO  QB    137 ILE  HA      6.50
117 PRO  QB    138 GLN  H       6.50            #peak   894
117 PRO  HA    139 LEU  QQD     5.00            #peak  1592
117 PRO  QB    139 LEU  HG      4.04
117 PRO  QB    139 LEU  QB      4.11            #peak  1810
117 PRO  QB    139 LEU  QD1     5.50            #peak    88
117 PRO  QB    139 LEU  QD2     5.40            #peak    72
117 PRO  QB    139 LEU  QQD     4.50            #peak    72
117 PRO  HA    188 LEU  HA      5.50
117 PRO  QB    190 ASP  QB      4.70
117 PRO  HA    191 LYS  H       4.60
117 PRO  QB    191 LYS  H       5.00            #peak  2080
118 HIS  H     118 HIS  HD2     5.50            #peak  1960
118 HIS  H     118 HIS  QB      4.10            #peak  1952
118 HIS  H     119 ILE  H       4.95            #peak  1947
118 HIS  H     119 ILE  QG2     6.25            #peak  1958
118 HIS  H     137 ILE  HA      5.09            #peak  2041
118 HIS  QB    137 ILE  HA      4.75            #peak  2034
118 HIS  H     139 LEU  HG      6.00            #peak  1957
118 HIS  HD2   155 PHE  QD      5.50
118 HIS  HE1   157 LEU  QB      3.00
119 ILE  H     119 ILE  HB      4.20            #peak   207
119 ILE  H     119 ILE  QG1     5.90            #peak   209
119 ILE  H     119 ILE  QG2     5.90            #peak   210
119 ILE  HA    120 GLN  H       3.40            #peak    47
119 ILE  HB    120 GLN  H       4.30            #peak    51
119 ILE  QG2   120 GLN  H       4.70            #peak    53
119 ILE  QD1   133 LEU  HA      6.25            #peak  2920
119 ILE  QD1   133 LEU  QB      6.75            #peak  2935
119 ILE  QD1   133 LEU  HG      5.10            #peak  1143
119 ILE  QD1   133 LEU  QQD     4.50            #peak  1141
119 ILE  QG1   133 LEU  QQD     5.00            #peak  1619
119 ILE  HB    134 ASP  HA      5.30            #peak  1132
119 ILE  QD1   134 ASP  H       5.50            #peak  2942
119 ILE  QG1   134 ASP  HA      4.59            #peak  2430
119 ILE  H     135 HIS  HA      7.20
119 ILE  QD1   135 HIS  H       6.00            #peak  2605
119 ILE  QD1   136 ILE  H       5.90            #peak  1236
119 ILE  QD1   136 ILE  QG2     6.30            #peak   730
119 ILE  QD1   139 LEU  HG      4.30            #peak  2934
119 ILE  QD1   139 LEU  H       6.30            #peak  2942
119 ILE  QD1   139 LEU  QQD     3.78            #peak  1146
119 ILE  QG2   139 LEU  QB      5.55
119 ILE  QG2   139 LEU  QQD     5.30            #peak  1660
119 ILE  HA    157 LEU  HG      4.90
#119 ILE  HA    158 PRO  HG2     4.50
119 ILE  HA    158 PRO  QG      5.00
119 ILE  QG2   191 LYS  QB      6.00
119 ILE  QD1   191 LYS  QB      6.50            #peak  2919
119 ILE  QD1   191 LYS  QD      5.50            #peak  2934
119 ILE  QG1   194 ILE  QG1     4.50
120 GLN  HA    120 GLN  QG      5.50            #peak  1765
120 GLN  H     120 GLN  QB      3.80            #peak    50
120 GLN  HA    121 ARG  H       3.00            #peak    82
120 GLN  QB    121 ARG  H       4.30            #peak    85
120 GLN  QG    121 ARG  H       4.10            #peak    84
120 GLN  QG    122 LYS  QD      5.20            #peak  1754
120 GLN  H     159 SER  O       5.76
120 GLN  H     159 SER  QB      3.40            #peak    47
120 GLN  QG    159 SER  QB      6.00 
120 GLN  HB2   162 SER  QB      4.63            #peak   308
120 GLN  HB3   162 SER  QB      4.63            #peak  1230
#120 GLN  HG2   162 SER  HB2     2.50
120 GLN  HG2   162 SER  QB      4.80            #peak   706
120 GLN  HG3   162 SER  QB      4.75            #peak  1765
120 GLN  H     162 SER  QB      4.75            #peak  2073
120 GLN  QB    162 SER  H       5.30            #peak  2637
120 GLN  QB    162 SER  QB      4.01            #peak   308
120 GLN  QG    162 SER  QB      4.75            #peak   706
121 ARG  H     121 ARG  QB      3.80            #peak    86
121 ARG  H     121 ARG  QD      5.80            #peak    83
121 ARG  H     121 ARG  QG      4.90            #peak    87
121 ARG  QB    121 ARG  HE      5.50            #peak    16
121 ARG  QB    135 HIS  HA      3.54            #peak   910
121 ARG  QB    135 HIS  QB      4.00            #peak    64
121 ARG  QD    135 HIS  HA      5.40            #peak  2257
121 ARG  QB    136 ILE  H       5.91            #peak  1234
121 ARG  H     157 LEU  QD1     6.63
122 LYS  QB    122 LYS  QD      4.10            #peak    36
122 LYS  HA    123 LYS  H       3.50            #peak  2497
122 LYS  QD    161 ARG  QG      4.50
122 LYS  QE    161 ARG  QG      3.40
122 LYS  QE    161 ARG  HE      4.61            #peak  1582
122 LYS  QE    161 ARG  H       6.00            #peak  1048
122 LYS  QE    161 ARG  QH1     4.68            #peak  2944
122 LYS  QD    162 SER  H       5.50            #peak   705
122 LYS  QE    162 SER  H       4.50            #peak  2947
122 LYS  QE    162 SER  QB      4.71            #peak   695
122 LYS  QD    198 GLU  QG      7.50
#122 LYS  QB    198 GLU  QG      6.65
123 LYS  HA    123 LYS  QD      6.00            #peak  2448
123 LYS  H     123 LYS  QB      3.80            #peak  2498
123 LYS  H     123 LYS  QD      5.50            #peak   103
123 LYS  H     123 LYS  QG      4.90            #peak  2500
123 LYS  HA    124 VAL  HA      4.70            #peak  2445
124 VAL  HA    125 SER  H       3.50            #peak  2121
124 VAL  HB    125 SER  H       4.40            #peak  2128
124 VAL  QQG   125 SER  H       3.70            #peak  2130
124 VAL  HA    126 HIS  H       4.80            #peak  2222
124 VAL  QQG   126 HIS  H       3.40            #peak   380
124 VAL  QG1   197 ALA  QB      5.80
125 SER  H     125 SER  QB      3.80            #peak  2120
125 SER  H     126 HIS  HA      5.10            #peak  2469
125 SER  H     126 HIS  H       3.20            #peak   366
125 SER  H     126 HIS  QB      4.70            #peak  2124
126 HIS  HA    127 LEU  QQD     5.75            #peak  2569
126 HIS  QB    127 LEU  H       4.25            #peak  2511
126 HIS  HE1   191 LYS  QD      5.20
126 HIS  HE1   193 CYS  QB      4.40
127 LEU  H     127 LEU  HG      5.80            #peak  2513
127 LEU  H     127 LEU  QD1     5.90            #peak  2514
127 LEU  H     127 LEU  QD2     5.90            #peak  2515
127 LEU  H     127 LEU  QQD     6.00            #peak  2515
127 LEU  H     130 ASP  H       4.75            #peak  2523
127 LEU  QB    130 ASP  H       4.95            #peak  2534
129 ASP  HA    130 ASP  H       4.00            #peak  2526
129 ASP  HA    132 PHE  H       4.00            #peak  2559
129 ASP  HA    133 LEU  QQD     6.50 #5.30 
129 ASP  O     133 LEU  H       2.20  5.00E+00
129 ASP  O     133 LEU  N       3.10  5.00E+00
129 ASP  QB    133 LEU  H       4.10 
129 ASP  QB    133 LEU  QQD     6.00            #peak  1534
130 ASP  H     130 ASP  HA      3.50            #peak  2525
130 ASP  H     130 ASP  HB2     4.50            #peak  2536
130 ASP  H     130 ASP  HB3     4.50            #peak  2530
130 ASP  H     130 ASP  QB      3.80            #peak  2530
130 ASP  H     131 GLN  H       3.60            #peak  2521
130 ASP  QB    131 GLN  H       3.50            #peak  2548
130 ASP  HA    132 PHE  H       4.60            #peak  2441
130 ASP  H     132 PHE  H       4.60            #peak  2518
130 ASP  HA    133 LEU  HG      4.16            #peak  1134
130 ASP  HA    133 LEU  H       4.57            #peak  2812
130 ASP  HA    133 LEU  QD1     4.46            #peak   299
130 ASP  HA    133 LEU  QD2     4.46            #peak  1135
130 ASP  HA    133 LEU  QQD     3.60            #peak  1135
130 ASP  H     133 LEU  H       5.00            #peak  2537
130 ASP  O     134 ASP  H       2.30  5.00E+00
130 ASP  O     134 ASP  N       3.10  5.00E+00
130 ASP  HA    191 LYS  HE3     6.00 
130 ASP  HA    194 ILE  QG1     6.50
131 GLN  HA    131 GLN  QE2     6.00            #peak  1002
131 GLN  H     131 GLN  HB2     4.20            #peak  2551
131 GLN  H     131 GLN  HB3     4.20            #peak  2552
131 GLN  H     131 GLN  QB      3.80            #peak  2551
131 GLN  H     131 GLN  QE2     5.50            #peak  2542
131 GLN  H     131 GLN  QG      4.90            #peak  2549
131 GLN  H     132 PHE  H       3.90            #peak  2539
131 GLN  H     132 PHE  QB      5.50            #peak  2553
131 GLN  QG    132 PHE  HA      4.60            #peak  1741
131 GLN  QG    132 PHE  H       4.50            #peak  2565
131 GLN  H     133 LEU  H       5.40            #peak  2813
131 GLN  H     133 LEU  QQD     6.50            #peak  2090
131 GLN  QG    133 LEU  H       5.50            #peak  2245
131 GLN  HA    134 ASP  QB      3.56            #peak  3122
131 GLN  H     134 ASP  H       4.84            #peak  2543
131 GLN  O     135 HIS  H       2.30  5.00E+00
131 GLN  O     135 HIS  N       3.10  5.00E+00
132 PHE  H     132 PHE  QB      4.20            #peak  2560
132 PHE  H     132 PHE  QD      5.50            #peak  2558
132 PHE  H     133 LEU  QB      5.50            #peak  2563
132 PHE  H     133 LEU  H       4.60            #peak  2571
132 PHE  H     133 LEU  QQD     5.75            #peak  2564
132 PHE  QD    133 LEU  H       4.30            #peak  2569
132 PHE  O     136 ILE  H       2.20  5.00E+00
132 PHE  O     136 ILE  N       3.20  5.00E+00
133 LEU  HA    133 LEU  QQD     5.50            #peak   327
133 LEU  HB2   133 LEU  QQD     4.50            #peak   330
133 LEU  H     133 LEU  HB2     4.20            #peak  1331
133 LEU  H     133 LEU  HB3     4.20            #peak  2578
133 LEU  H     133 LEU  HG      4.50            #peak  2583
133 LEU  H     133 LEU  QD1     5.50            #peak  1479
133 LEU  H     133 LEU  QD2     5.50            #peak  2582
133 LEU  H     133 LEU  QQD     5.50            #peak  2582
133 LEU  QB    134 ASP  H       4.50            #peak  2601
133 LEU  HB3   134 ASP  H       4.25            #peak  3193
133 LEU  HG    134 ASP  HA      4.90            #peak  2431
133 LEU  HG    134 ASP  H       4.43            #peak  2602
133 LEU  H     134 ASP  H       3.54            #peak  2568
133 LEU  QD1   134 ASP  H       3.92            #peak   314
133 LEU  QD2   134 ASP  H       4.70            #peak  2603
133 LEU  QQD   134 ASP  HA      4.91            #peak  3132
133 LEU  QQD   134 ASP  H       3.80            #peak   314
133 LEU  QQD   134 ASP  QB      5.00            #peak  1553
133 LEU  HA    136 ILE  H       5.40            #peak  1228
133 LEU  HA    136 ILE  QG2     4.25            #peak  2305
133 LEU  H     136 ILE  HB      4.68            #peak  2864
133 LEU  H     136 ILE  H       5.50            #peak  2813
133 LEU  HA    137 ILE  H       4.10            #peak   735
133 LEU  O     137 ILE  H       2.20  5.00E+00
133 LEU  O     137 ILE  N       3.10  5.00E+00
133 LEU  QQD   137 ILE  HA      5.90            #peak  1547
133 LEU  QQD   137 ILE  H       5.50            #peak   298
133 LEU  HA    139 LEU  H       4.90            #peak  1433
133 LEU  HG    139 LEU  QQD     5.40            #peak  1516
133 LEU  QB    139 LEU  QQD     5.55            #peak   238
133 LEU  QD2   139 LEU  QD1     4.90            #peak  1594
133 LEU  QQD   139 LEU  HG      5.30            #peak   328
133 LEU  QQD   139 LEU  QQD     3.43            #peak  1528
133 LEU  HG    191 LYS  QD      5.27
133 LEU  QD2   191 LYS  QE      4.10
134 ASP  H     134 ASP  HB2     4.20            #peak  2596
134 ASP  H     134 ASP  HB3     4.20            #peak  2597
134 ASP  H     134 ASP  QB      3.80            #peak  2596
134 ASP  HA    135 HIS  HA      4.80            #peak  2241
134 ASP  H     135 HIS  H       4.00            #peak  2589
134 ASP  H     135 HIS  QB      5.40            #peak  2594
134 ASP  QB    135 HIS  H       3.30            #peak  1218
134 ASP  H     136 ILE  HB      5.15            #peak  2601
135 HIS  H     135 HIS  HD2     5.80            #peak  1211
135 HIS  H     135 HIS  QB      3.80            #peak  1174
135 HIS  HA    136 ILE  H       3.80            #peak   921
135 HIS  HE1   136 ILE  H       5.70            #peak  1225
135 HIS  H     136 ILE  H       3.70            #peak  1208
135 HIS  H     136 ILE  QG2     5.80            #peak  2308
136 ILE  H     136 ILE  HB      4.20            #peak  1232
136 ILE  H     136 ILE  QG2     5.80            #peak  1235
136 ILE  HB    137 ILE  H       4.10            #peak   737
136 ILE  H     137 ILE  HA      5.30            #peak  2040
136 ILE  H     137 ILE  H       3.00            #peak  1226
136 ILE  H     137 ILE  QG2     5.10            #peak  1231
136 ILE  QG2   137 ILE  HA      4.80            #peak  2304
136 ILE  QG2   137 ILE  H       5.00            #peak  2311
136 ILE  QG2   137 ILE  QD1     5.75            #peak  2502
136 ILE  QG2   137 ILE  QG1     5.50            #peak  2303
136 ILE  QG2   137 ILE  QG2     6.50            #peak   735
136 ILE  H     138 GLN  H       5.25            #peak   887
136 ILE  QG2   138 GLN  HA      4.60            #peak  2306
136 ILE  QG2   138 GLN  QB      4.25            #peak  2300
136 ILE  QG2   139 LEU  HA      5.50            #peak  2307
136 ILE  QG2   139 LEU  H       4.32            #peak   726
136 ILE  QG2   139 LEU  QQD     5.50            #peak   732
136 ILE  QG2   141 GLY  H       5.45            #peak  2310
136 ILE  QG2   141 GLY  QA      5.90            #peak  2306
136 ILE  QG2   142 MET  H       5.30            #peak  2309
137 ILE  HA    137 ILE  QG2     5.50            #peak   632
137 ILE  H     137 ILE  QD1     5.50            #peak  2444
137 ILE  H     137 ILE  QG2     4.90            #peak   734
137 ILE  QG2   137 ILE  QD1     5.00            #peak  1244
137 ILE  H     138 GLN  H       3.90            #peak   729
137 ILE  HA    139 LEU  QQD     5.00            #peak   636
137 ILE  H     139 LEU  H       5.50            #peak   730
137 ILE  HB    142 MET  H       6.68
137 ILE  QD1   142 MET  H       6.44
137 ILE  QD1   142 MET  QB      6.75
137 ILE  QD1   144 ALA  HA      5.75            #peak   895
137 ILE  QD1   144 ALA  HB1     4.30            #peak  2241
137 ILE  QD1   144 ALA  HB2     5.90            #peak  2579
137 ILE  QG1   144 ALA  HB1     5.34            #peak  2296
137 ILE  QD1   145 GLU  HA      4.00            #peak  2513
137 ILE  QD1   145 GLU  HB3     5.46            #peak  2579
137 ILE  QD1   146 LEU  H       5.75
137 ILE  QD1   147 VAL  H       5.50            #peak  2578
137 ILE  QD1   147 VAL  QG2     5.50            #peak  2003
137 ILE  HB    148 GLU  HA      6.30
137 ILE  QD1   148 GLU  QB      5.20            #peak  2576
137 ILE  QD1   148 GLU  H       5.25            #peak  1489
138 GLN  H     138 GLN  QB      3.80            #peak   893
138 GLN  H     138 GLN  QE2     5.90            #peak   887
138 GLN  H     138 GLN  QG      5.50            #peak   895
138 GLN  HA    139 LEU  QQD     5.90            #peak   224
138 GLN  HA    139 LEU  H       3.70            #peak  1761
138 GLN  HG3   139 LEU  H       5.50            #peak  1127
138 GLN  H     139 LEU  HA      5.00            #peak   888
138 GLN  H     139 LEU  H       3.90            #peak   886
138 GLN  H     139 LEU  QB      5.50            #peak   897
138 GLN  QB    139 LEU  H       4.20            #peak  1130
138 GLN  QG    139 LEU  H       4.60            #peak  1127
138 GLN  HA    142 MET  H       4.85            #peak  2331
138 GLN  HG2   142 MET  H       4.75            #peak   948
138 GLN  HG3   142 MET  H       4.40            #peak   946
138 GLN  QB    142 MET  H       3.80            #peak   956
138 GLN  QG    142 MET  H       3.58            #peak   948
138 GLN  QG    143 PRO  HA      6.10
139 LEU  HA    139 LEU  QQD     4.80            #peak   229
139 LEU  H     139 LEU  QB      3.80            #peak  1128
139 LEU  H     139 LEU  QD1     5.20            #peak   239
139 LEU  H     139 LEU  QD2     5.50            #peak  1665
139 LEU  H     139 LEU  QQD     4.90            #peak   239
139 LEU  QB    139 LEU  QD1     4.50            #peak  1432
139 LEU  QB    139 LEU  QD2     4.50            #peak   405
139 LEU  HA    140 GLY  H       3.60            #peak  1944
139 LEU  H     140 GLY  H       4.50            #peak  1940
139 LEU  QB    140 GLY  H       5.30            #peak  1945
139 LEU  QD1   140 GLY  H       5.80            #peak  1442
139 LEU  QD2   140 GLY  H       5.55            #peak  2173
139 LEU  QQD   140 GLY  H       5.40            #peak  1442
139 LEU  H     142 MET  H       5.56            #peak   940
139 LEU  QB    190 ASP  HA      5.16            #peak  2821
139 LEU  QB    190 ASP  QB      2.70            #peak  2819
139 LEU  QQD   190 ASP  QB      4.50            #peak   392
139 LEU  QB    191 LYS  HA      5.50            #peak  2821
139 LEU  QB    191 LYS  H       5.00            #peak  2811
139 LEU  QB    191 LYS  QB      5.50            #peak  2817
139 LEU  QD1   191 LYS  H       4.80            #peak   367
139 LEU  QD1   191 LYS  QB      4.00            #peak   402
139 LEU  QD1   191 LYS  QD      4.03            #peak  1692
139 LEU  QD1   191 LYS  QG      4.50            #peak  1847
139 LEU  QQD   192 LYS  H       5.75            #peak  1707
139 LEU  HG    194 ILE  QG2     5.90
139 LEU  QD1   194 ILE  H       6.00            #peak  1705
139 LEU  QD1   194 ILE  QG2     6.10            #peak   410
139 LEU  HA    217 MET  QG      5.00
139 LEU  HA    218 PHE  H       5.83
140 GLY  H     141 GLY  H       4.50            #peak  1941
140 GLY  H     141 GLY  QA      5.00            #peak  1943
140 GLY  HA3   218 PHE  H       5.00
141 GLY  H     142 MET  H       3.50            #peak   938
141 GLY  QA    142 MET  H       3.35            #peak   944
142 MET  H     142 MET  QB      3.80            #peak   947
142 MET  H     142 MET  QG      5.50            #peak   954
143 PRO  QB    144 ALA  H       4.40            #peak  2615
144 ALA  HA    144 ALA  HB1     4.50            #peak  2594
144 ALA  H     144 ALA  HB1     4.20            #peak  2618
144 ALA  HA    145 GLU  H       3.20            #peak  1685
144 ALA  HB1   145 GLU  HA      4.40            #peak   685
144 ALA  HB1   145 GLU  H       3.60            #peak   692
144 ALA  H     145 GLU  HA      5.20            #peak  2506
#144 ALA  H     145 GLU  HG2     5.50            #peak  2614
144 ALA  H     145 GLU  HG3     5.50            #peak  2614
144 ALA  H     145 GLU  H       4.60            #peak  2608
144 ALA  H     145 GLU  QG      5.00            #peak  2614
144 ALA  HA    146 LEU  H       4.20            #peak  1003
144 ALA  HB1   146 LEU  H       4.51            #peak   694
144 ALA  HA    147 VAL  H       4.35            #peak  1770
144 ALA  HA    147 VAL  QG1     4.00            #peak   511
144 ALA  HA    147 VAL  QG2     4.75            #peak   598
144 ALA  HB1   147 VAL  H       3.97            #peak  2246
144 ALA  HB1   147 VAL  QG1     3.75            #peak   509
144 ALA  HB1   147 VAL  QG2     3.06            #peak   684
144 ALA  HB2   147 VAL  QG1     3.10 
144 ALA  HB2   147 VAL  QG2     2.95            #peak   603
144 ALA  HB1   148 GLU  H       4.58            #peak  1486
145 GLU  HA    145 GLU  HG2     5.20            #peak   990
145 GLU  HA    145 GLU  HG3     5.20            #peak   990
145 GLU  HA    145 GLU  QG      4.80            #peak   990
145 GLU  H     145 GLU  HB2     4.20            #peak  1691
145 GLU  H     145 GLU  HG2     5.20            #peak  1692
145 GLU  H     145 GLU  HG3     5.20            #peak  1692
145 GLU  H     145 GLU  QG      4.90            #peak  1692
145 GLU  H     146 LEU  HG      4.00            #peak  1695
145 GLU  H     146 LEU  H       3.50            #peak  1678
145 GLU  HA    147 VAL  H       4.50            #peak  1704
145 GLU  HA    147 VAL  QG2     5.50            #peak  2029
145 GLU  H     147 VAL  HA      5.93            #peak  1686
145 GLU  H     147 VAL  H       4.45            #peak  1681
145 GLU  H     147 VAL  QG1     3.40            #peak  1688
145 GLU  H     147 VAL  QG2     5.10            #peak  2038
145 GLU  HA    148 GLU  H       4.84            #peak   978
146 LEU  H     146 LEU  HG      4.50            #peak  1008
146 LEU  HA    147 VAL  H       3.60            #peak  1703
146 LEU  HA    147 VAL  QG1     5.50            #peak  2460
146 LEU  HG    147 VAL  H       3.60            #peak  1709
146 LEU  HG    147 VAL  QG1     3.50            #peak   503
146 LEU  H     147 VAL  H       3.50            #peak  1698
146 LEU  H     147 VAL  QG1     3.70            #peak  1011
146 LEU  H     147 VAL  QG2     4.60            #peak   597
146 LEU  QB    147 VAL  H       4.41            #peak  1710
146 LEU  QQD   147 VAL  QG1     4.70            #peak    70
146 LEU  HA    148 GLU  QG      4.50            #peak  2457
146 LEU  HG    148 GLU  H       5.37            #peak  1485
146 LEU  H     148 GLU  H       4.17            #peak  1473
147 VAL  HA    147 VAL  QG1     5.50            #peak   512
147 VAL  HA    147 VAL  QG2     5.50            #peak   590
147 VAL  H     147 VAL  QG1     4.80            #peak  1713
147 VAL  H     147 VAL  QG2     4.80            #peak  1713
147 VAL  HB    148 GLU  H       4.40            #peak    57
147 VAL  H     148 GLU  H       3.20            #peak  1699
147 VAL  H     148 GLU  QG      4.80            #peak  1706
147 VAL  QG1   148 GLU  H       4.70            #peak   506
147 VAL  QG2   148 GLU  HA      3.80            #peak   600
147 VAL  QG2   148 GLU  H       3.10            #peak  1488
147 VAL  QG2   148 GLU  QG      6.50            #peak  2005
147 VAL  HA    149 ASN  H       3.70            #peak  1173
147 VAL  QG2   150 LYS  QD      5.34            #peak  1400
147 VAL  HB    151 GLU  QG      3.90            #peak  1788
147 VAL  QG2   151 GLU  QB      5.25            #peak  1234
147 VAL  QG2   151 GLU  QG      3.32            #peak   593
148 GLU  HA    148 GLU  QG      5.00            #peak  1150
148 GLU  H     148 GLU  HA      3.00            #peak  1477
148 GLU  H     148 GLU  HB3     4.20            #peak  1483
148 GLU  H     148 GLU  HG2     5.00            #peak  1482
148 GLU  H     148 GLU  HG3     5.00            #peak  1481
148 GLU  H     148 GLU  QG      4.50            #peak  1481
148 GLU  QB    149 ASN  H       4.15            #peak  1182
148 GLU  HG2   149 ASN  H       5.50            #peak  1180
148 GLU  HG3   149 ASN  H       3.60            #peak  1179
148 GLU  H     149 ASN  HA      5.35            #peak  1476
148 GLU  H     149 ASN  H       2.90            #peak  1472
148 GLU  H     149 ASN  QB      5.40            #peak  1480
148 GLU  QG    149 ASN  H       2.90            #peak  1180
148 GLU  QG    149 ASN  QB      5.20            #peak  3075
148 GLU  HA    151 GLU  QG      4.70            #peak  2435
148 GLU  O     152 VAL  H       2.70  5.00E+00
148 GLU  O     152 VAL  N       3.40  5.00E+00
149 ASN  H     149 ASN  HB2     4.20            #peak  1174
149 ASN  H     149 ASN  HB3     4.20            #peak  1177
149 ASN  H     149 ASN  QB      3.80            #peak  1177
149 ASN  H     149 ASN  QD2     5.00            #peak  1163
149 ASN  H     150 LYS  QD      5.41            #peak  3051
149 ASN  H     150 LYS  QB      5.20            #peak  1426
149 ASN  QB    151 GLU  H       4.50            #peak   966
149 ASN  HA    152 VAL  H       4.92            #peak   864
149 ASN  HA    153 MET  H       4.80            #peak   986
149 ASN  O     153 MET  H       2.50  5.00E+00
149 ASN  O     153 MET  N       3.20  5.00E+00
150 LYS  HA    150 LYS  QG      5.00            #peak   208
150 LYS  QB    150 LYS  QD      4.20            #peak    33
150 LYS  HD2   151 GLU  H       5.75            #peak   970
150 LYS  HD3   151 GLU  H       5.00            #peak   970
150 LYS  QB    151 GLU  H       4.40            #peak    20
150 LYS  QD    151 GLU  H       4.30            #peak   970
150 LYS  QG    151 GLU  HA      4.51            #peak  1408
150 LYS  QG    151 GLU  H       3.50            #peak   971
150 LYS  QG    151 GLU  QG      4.76            #peak  1405
150 LYS  QG    152 VAL  H       5.80            #peak  1413
150 LYS  HA    153 MET  H       3.80            #peak  1053
150 LYS  O     154 SER  H       2.40  5.00E+00
150 LYS  O     154 SER  N       3.20  5.00E+00
151 GLU  HA    151 GLU  QG      5.50            #peak  2337
151 GLU  H     151 GLU  HA      3.20            #peak   962
151 GLU  H     151 GLU  QB      3.80            #peak   968
151 GLU  HA    152 VAL  H       3.60            #peak   861
151 GLU  H     152 VAL  H       3.05            #peak   960
151 GLU  H     153 MET  H       4.40            #peak   958
151 GLU  HA    154 SER  H       4.35            #peak  2504
151 GLU  H     154 SER  H       5.10            #peak  1734
151 GLU  HA    155 PHE  H       3.51            #peak   750
151 GLU  HA    155 PHE  QD      3.60            #peak   965
151 GLU  O     155 PHE  H       2.50  5.00E+00
151 GLU  O     155 PHE  N       3.20  5.00E+00
151 GLU  QB    155 PHE  H       5.30            #peak  2800
151 GLU  HA    156 PHE  H       5.30            #peak  2154
151 GLU  QB    156 PHE  H       5.75            #peak  2163
152 VAL  H     152 VAL  HB      4.40            #peak   865
152 VAL  H     152 VAL  QQG     5.90            #peak   866
152 VAL  HB    153 MET  QG      5.80            #peak  3299
152 VAL  H     153 MET  H       3.25            #peak   977
152 VAL  H     153 MET  QG      5.50            #peak   869
152 VAL  QQG   153 MET  H       5.00            #peak   980
152 VAL  H     154 SER  H       4.55            #peak  1719
152 VAL  QQG   154 SER  H       5.90            #peak  1732
152 VAL  HA    156 PHE  H       4.25            #peak  2157
152 VAL  H     156 PHE  H       5.60            #peak  2463
152 VAL  O     156 PHE  H       3.60  5.00E+00
152 VAL  O     156 PHE  N       5.00  5.00E+00
152 VAL  HB    166 ALA  QB      5.80            #peak  2330
152 VAL  QQG   166 ALA  QB      4.75            #peak  2331
152 VAL  QQG   167 LEU  QD2     5.85            #peak  1468
153 MET  H     153 MET  QG      4.80            #peak   989
153 MET  HA    154 SER  H       3.55            #peak  1723
153 MET  H     154 SER  HA      5.30            #peak   785
153 MET  H     154 SER  H       3.20            #peak   975
153 MET  QB    154 SER  QB      5.90            #peak  1812
153 MET  QG    154 SER  H       4.50            #peak  1725
153 MET  H     155 PHE  H       4.80            #peak   988
153 MET  HA    156 PHE  H       5.60            #peak  2154
153 MET  H     156 PHE  HA      5.75            #peak   987
153 MET  QB    167 LEU  QD1     5.80            #peak  1554
153 MET  QB    167 LEU  QQD     6.00            #peak    63
154 SER  H     154 SER  HA      3.60            #peak  1722
154 SER  H     154 SER  QB      4.50            #peak  1724
154 SER  H     155 PHE  H       3.50            #peak   746
154 SER  H     155 PHE  QD      5.75            #peak  1720
154 SER  QB    155 PHE  H       4.20            #peak  2823
154 SER  HA    156 PHE  H       5.00            #peak  2153
154 SER  H     156 PHE  H       4.00            #peak  1717
155 PHE  H     155 PHE  QB      3.80            #peak   752
155 PHE  H     155 PHE  QD      5.90            #peak   745
155 PHE  H     156 PHE  H       3.60            #peak   744
155 PHE  QB    156 PHE  H       4.30            #peak  1494
155 PHE  QD    156 PHE  H       5.20            #peak  2152
155 PHE  QB    157 LEU  H       4.75            #peak  2135
156 PHE  H     156 PHE  QB      4.20            #peak  1494
156 PHE  H     156 PHE  QD      5.90            #peak  2151
156 PHE  H     157 LEU  H       3.80            #peak   384
156 PHE  H     157 LEU  QB      5.50            #peak  2163
156 PHE  H     157 LEU  QQD     6.00            #peak  2165
156 PHE  QB    157 LEU  H       4.95            #peak  2135
156 PHE  HD2   160 PHE  HD2     5.95
156 PHE  HZ    163 ASP  QB      5.80
157 LEU  H     157 LEU  QB      4.20            #peak   393
157 LEU  H     157 LEU  QQD     5.90            #peak  2142
157 LEU  HG    159 SER  H       4.10            #peak  1836
157 LEU  QQD   159 SER  H       5.50            #peak  1840
157 LEU  HG    160 PHE  H       5.25            #peak   783
157 LEU  QQD   160 PHE  H       6.28            #peak   784
157 LEU  QQD   161 ARG  H       5.75            #peak  1049
158 PRO  QB    159 SER  HA      5.50            #peak  1829
158 PRO  QB    159 SER  H       4.20            #peak  1837
158 PRO  HA    186 ASN  H       6.50
158 PRO  QG    188 LEU  QB      5.00
158 PRO  QB    188 LEU  QB      4.70            #peak  1531
158 PRO  QB    194 ILE  QD1     5.00            #peak  2948
158 PRO  QG    194 ILE  QD1     4.10            #peak    96
159 SER  H     159 SER  HB2     4.20            #peak  1834
159 SER  H     159 SER  HB3     4.20            #peak  1833
159 SER  H     159 SER  QB      3.90            #peak  1833
159 SER  H     160 PHE  HA      5.40            #peak  1831
159 SER  O     163 ASP  H       2.40  5.00E+00
159 SER  O     163 ASP  N       3.35  5.00E+00
159 SER  H     194 ILE  QD1     5.50            #peak  2932
160 PHE  H     160 PHE  QD      5.50            #peak   777
160 PHE  H     161 ARG  H       4.20            #peak  1038
160 PHE  QB    161 ARG  H       4.50            #peak  1046
160 PHE  QD    161 ARG  H       5.10            #peak  1039
160 PHE  HA    164 TYR  HB3     5.76            #peak  1632
160 PHE  O     164 TYR  H       2.10  5.00E+00
160 PHE  O     164 TYR  N       3.00  5.00E+00
160 PHE  QB    164 TYR  QB      5.20            #peak  1640
160 PHE  QD    164 TYR  H       5.80            #peak  1620
160 PHE  HA    175 LEU  QD1     6.60            #peak  3073
160 PHE  H     175 LEU  QD1     5.50            #peak  1394
160 PHE  QB    175 LEU  HG      5.90            #peak  1297
160 PHE  QB    175 LEU  QD1     4.01            #peak  1434
160 PHE  QD    175 LEU  QD1     5.50            #peak  3074
160 PHE  QD    175 LEU  QD2     6.75            #peak  1829
160 PHE  QE    175 LEU  QD1     6.00            #peak  1376
160 PHE  HE1   185 PHE  HE2     3.80
160 PHE  QE    185 PHE  QE      4.20
160 PHE  HZ    185 PHE  HD2     3.31 
160 PHE  HZ    185 PHE  QB      4.03
160 PHE  HZ    185 PHE  QE      3.50
160 PHE  HE2   186 ASN  H       6.53 
161 ARG  HA    161 ARG  QG      5.90            #peak   865
161 ARG  H     161 ARG  HE      5.50            #peak  1040
161 ARG  H     161 ARG  QB      3.80            #peak  1047
161 ARG  H     161 ARG  QH1     5.80            #peak  1041
161 ARG  HA    162 SER  QB      5.60            #peak   707
161 ARG  H     162 SER  H       3.80            #peak  2625
161 ARG  QB    162 SER  H       3.60            #peak  2638
161 ARG  QG    162 SER  H       4.20            #peak  2639
161 ARG  QG    162 SER  QB      4.92            #peak  2069
161 ARG  HA    164 TYR  QB      4.40            #peak   868
161 ARG  HA    164 TYR  H       5.50            #peak  1020
161 ARG  HA    165 ARG  H       4.42            #peak   720
161 ARG  O     165 ARG  H       2.20  5.00E+00
161 ARG  O     165 ARG  N       3.10  5.00E+00
161 ARG  HA    171 GLU  QB      4.53            #peak    42
161 ARG  HA    171 GLU  QG      5.34            #peak  3083
161 ARG  HE    175 LEU  QQD     4.84            #peak  1448
161 ARG  QB    175 LEU  QQD     4.50            #peak   236
161 ARG  HE    198 GLU  QB      4.50
162 SER  H     162 SER  QB      3.80            #peak  2630
162 SER  H     163 ASP  H       3.99            #peak  2626
162 SER  QB    163 ASP  HA      4.56            #peak  1124
162 SER  QB    163 ASP  H       3.43            #peak  2648
162 SER  HA    164 TYR  H       5.50            #peak  1020
162 SER  QB    164 TYR  H       5.35            #peak  1017
162 SER  O     166 ALA  H       2.10  5.00E+00
162 SER  O     166 ALA  N       3.10  5.00E+00
162 SER  QB    166 ALA  QB      5.40            #peak  2069
163 ASP  H     163 ASP  HB2     4.20            #peak  2651
163 ASP  H     163 ASP  HB3     4.20            #peak   562
163 ASP  H     163 ASP  QB      3.80            #peak  2651
163 ASP  H     164 TYR  HA      5.60            #peak  2650
163 ASP  H     164 TYR  H       4.31            #peak  2641 
163 ASP  HA    166 ALA  HA      5.37            #peak  1256
163 ASP  HA    166 ALA  H       4.03            #peak  1054
163 ASP  HA    166 ALA  QB      4.14            #peak  2336
163 ASP  H     166 ALA  QB      4.80            #peak  2654
163 ASP  O     167 LEU  H       2.10  5.00E+00
163 ASP  O     167 LEU  N       3.10  5.00E+00
164 TYR  H     164 TYR  QB      3.90            #peak  1018
164 TYR  H     164 TYR  QD      6.00            #peak  1015
164 TYR  HB2   165 ARG  H       4.40            #peak  2658
164 TYR  HB3   165 ARG  H       3.30            #peak   726
164 TYR  H     165 ARG  H       4.00            #peak   714
164 TYR  QD    165 ARG  H       5.50            #peak   717
164 TYR  HA    166 ALA  H       4.53            #peak  1054
164 TYR  O     168 GLU  H       2.10  5.00E+00
164 TYR  O     168 GLU  N       3.10  5.00E+00
164 TYR  HA    171 GLU  QB      6.25            #peak  2102
164 TYR  HA    171 GLU  QG      4.90
164 TYR  QD    171 GLU  QG      3.84            #peak  1735
164 TYR  HE2   183 HIS  HD2     5.62
165 ARG  HA    165 ARG  HG2     5.50            #peak   892
165 ARG  HA    165 ARG  HG3     5.50            #peak   884
165 ARG  HA    165 ARG  QG      4.50            #peak   892
165 ARG  H     165 ARG  QB      3.80            #peak   725
165 ARG  H     166 ALA  H       4.10            #peak  2659
165 ARG  H     166 ALA  QB      5.25            #peak   727
165 ARG  QB    166 ALA  H       3.50            #peak  2671
165 ARG  HA    167 LEU  H       5.20            #peak  1453
165 ARG  H     167 LEU  H       5.50            #peak   716
165 ARG  HA    168 GLU  H       4.45            #peak  1198
165 ARG  HA    169 GLN  H       3.90            #peak  1739
165 ARG  H     169 GLN  H       5.50            #peak   716
165 ARG  O     169 GLN  H       2.10  5.00E+00
165 ARG  O     169 GLN  N       3.10  5.00E+00
165 ARG  QG    169 GLN  HA      4.08            #peak  1266
165 ARG  QG    169 GLN  H       4.41            #peak  1747
165 ARG  HA    170 PHE  H       3.70            #peak   701
165 ARG  H     170 PHE  H       5.54            #peak   696
165 ARG  QG    170 PHE  HA      4.80            #peak  2357
165 ARG  QG    170 PHE  H       3.35            #peak   709
165 ARG  HA    171 GLU  H       3.50
165 ARG  HA    171 GLU  QG      4.40
165 ARG  H     171 GLU  H       5.17            #peak    12
165 ARG  H     171 GLU  QB      4.70            #peak   724
165 ARG  H     171 GLU  QG      4.20            #peak  2177
165 ARG  QG    171 GLU  HA      5.09            #peak  2634
165 ARG  QD    175 LEU  QQD     6.50
166 ALA  H     166 ALA  QB      3.80            #peak  2674
166 ALA  H     167 LEU  H       4.07            #peak  1447
166 ALA  H     167 LEU  QD1     6.90            #peak  1563
166 ALA  H     167 LEU  QQD     5.70            #peak  2234
166 ALA  QB    167 LEU  H       3.80            #peak  1467
166 ALA  QB    167 LEU  QB      6.50            #peak  2328
166 ALA  HA    169 GLN  H       4.70            #peak  2582
167 LEU  HA    167 LEU  QD1     6.00            #peak   371
167 LEU  HA    167 LEU  QD2     6.00            #peak  1069
167 LEU  HA    167 LEU  QQD     6.00            #peak  1069
167 LEU  H     167 LEU  QB      3.80            #peak  1252
167 LEU  H     167 LEU  QQD     5.90            #peak  1469
167 LEU  HG    168 GLU  H       5.58            #peak  1205
167 LEU  H     168 GLU  HA      5.15            #peak   988
167 LEU  H     168 GLU  H       3.80            #peak  1448
167 LEU  H     168 GLU  QG      5.40            #peak  1460
167 LEU  QB    168 GLU  H       4.00            #peak  1204
167 LEU  QQD   168 GLU  HA      6.70            #peak   332
167 LEU  QQD   168 GLU  H       5.30            #peak  1593
167 LEU  QQD   168 GLU  QG      4.67            #peak  3035
167 LEU  H     169 GLN  H       4.00            #peak  1740
168 GLU  HA    168 GLU  QG      4.80            #peak  1665
168 GLU  H     168 GLU  HG2     4.90            #peak  1202
168 GLU  H     168 GLU  HG3     4.90            #peak  1679
168 GLU  H     168 GLU  QG      5.00            #peak  1679
168 GLU  H     169 GLN  H       4.30            #peak  1736
168 GLU  H     169 GLN  QG      5.40            #peak  1203
168 GLU  QG    169 GLN  H       5.00            #peak  1746
168 GLU  H     170 PHE  H       4.40            #peak   696
168 GLU  QB    170 PHE  H       4.34            #peak   706
169 GLN  H     169 GLN  HB2     4.20            #peak  1743
169 GLN  H     169 GLN  HB3     4.20            #peak  1745
169 GLN  H     169 GLN  QG      4.80            #peak  1742
169 GLN  HA    170 PHE  H       3.50            #peak   699
169 GLN  H     170 PHE  H       3.40            #peak   690
169 GLN  QB    170 PHE  H       4.75            #peak   695
169 GLN  QG    170 PHE  H       4.90            #peak   703
170 PHE  HA    170 PHE  QE      6.00            #peak  3119
170 PHE  H     170 PHE  QB      3.90            #peak   697
170 PHE  HB2   171 GLU  H       4.50            #peak     7
170 PHE  HB3   171 GLU  H       4.30            #peak     8
170 PHE  H     171 GLU  HA      4.80            #peak  2181
170 PHE  H     171 GLU  H       3.80            #peak  2180
170 PHE  H     171 GLU  QB      5.30            #peak   708
170 PHE  H     171 GLU  QG      5.10            #peak   705
170 PHE  QB    171 GLU  H       3.50            #peak     8
170 PHE  HA    172 LEU  QQD     5.80            #peak  2383
171 GLU  H     171 GLU  QB      3.80            #peak    10
171 GLU  H     171 GLU  QG      4.80            #peak     9
171 GLU  HA    172 LEU  HG      3.62            #peak   128
171 GLU  HA    172 LEU  H       3.00            #peak   275
171 GLU  H     172 LEU  H       4.90            #peak   270
171 GLU  QB    172 LEU  HA      5.20            #peak    42
171 GLU  QB    172 LEU  H       3.15            #peak   278
172 LEU  H     172 LEU  HG      4.25            #peak   281
172 LEU  H     172 LEU  QQD     5.20            #peak   284
172 LEU  HA    173 TYR  H       3.40            #peak   188
172 LEU  HG    173 TYR  H       5.20            #peak   195
172 LEU  H     173 TYR  H       4.50            #peak   269
172 LEU  HG    174 ASP  H       5.65            #peak   521
172 LEU  H     174 ASP  H       4.28            #peak   272
172 LEU  QB    174 ASP  H       4.92            #peak   755
173 TYR  H     173 TYR  QB      3.90            #peak   190
173 TYR  H     173 TYR  QD      5.50            #peak   185
173 TYR  H     174 ASP  H       3.51            #peak   512
173 TYR  QD    174 ASP  H       5.00            #peak  2808
174 ASP  HA    175 LEU  H       3.20            #peak   121
174 ASP  HA    175 LEU  QD2     4.20            #peak  1821
174 ASP  HA    175 LEU  QQD     5.40            #peak   197
174 ASP  HA    176 ALA  H       4.20            #peak   300
174 ASP  HA    176 ALA  QB      5.30            #peak  2144
174 ASP  QB    176 ALA  H       4.50            #peak   303
174 ASP  QB    176 ALA  QB      6.00            #peak  2142
175 LEU  HA    175 LEU  QD1     4.80            #peak   196
175 LEU  HA    175 LEU  QD2     4.80            #peak   472
175 LEU  H     175 LEU  QB      3.80            #peak   123
175 LEU  H     175 LEU  QQD     5.00            #peak   124
175 LEU  QB    175 LEU  QQD     4.20            #peak   469
175 LEU  HA    176 ALA  QB      5.75            #peak  2145
175 LEU  H     176 ALA  H       3.04            #peak   292
175 LEU  QQD   176 ALA  H       4.80            #peak   308
175 LEU  QQD   176 ALA  QB      6.25            #peak  1818
175 LEU  QD1   198 GLU  HB3     6.50
175 LEU  QD1   198 GLU  HA      7.00
175 LEU  HG    201 LYS  QG      5.75            #peak  1279
175 LEU  QD1   201 LYS  HG3     5.15            #peak   107
175 LEU  QD2   201 LYS  HG3     4.25            #peak    95
175 LEU  QQD   201 LYS  HG2     4.00            #peak   130
175 LEU  QQD   201 LYS  HG3     4.50            #peak    95
175 LEU  QQD   201 LYS  QD      4.80 
175 LEU  QQD   201 LYS  QE      3.59            #peak   227
175 LEU  QQD   201 LYS  QG      4.68 
175 LEU  HG    202 LYS  HA      5.20            #peak  1292
175 LEU  QQD   202 LYS  HA      4.70            #peak  1109
175 LEU  QQD   202 LYS  H       5.50            #peak   471
175 LEU  QQD   202 LYS  QD      4.40            #peak  1819
176 ALA  H     176 ALA  HA      2.90            #peak   301
176 ALA  H     176 ALA  QB      3.80            #peak   306
176 ALA  HA    177 GLN  H       3.00            #peak  1437
176 ALA  H     177 GLN  H       4.70            #peak  1425
176 ALA  H     177 GLN  QE2     4.80            #peak   298
176 ALA  QB    177 GLN  HA      5.20            #peak  2144
176 ALA  QB    177 GLN  HB2     6.50            #peak  2142
176 ALA  QB    177 GLN  HB3     5.90            #peak  2131
176 ALA  QB    177 GLN  HE21    4.90            #peak  2156
176 ALA  QB    177 GLN  HE22    5.10            #peak  2147
176 ALA  QB    177 GLN  H       3.10            #peak  1442
176 ALA  QB    177 GLN  QB      5.90            #peak  2131
176 ALA  QB    177 GLN  QE2     4.50            #peak  2156
176 ALA  QB    177 GLN  QG      5.40            #peak  2131
176 ALA  HA    201 LYS  QD      6.25            #peak  2128
176 ALA  HA    202 LYS  H       5.50            #peak  1397
176 ALA  HA    202 LYS  QG      5.34            #peak  1588
176 ALA  H     202 LYS  HA      4.02            #peak  1091
176 ALA  QB    202 LYS  HA      3.51            #peak  2134
176 ALA  QB    202 LYS  QB      4.60            #peak   639
176 ALA  HA    204 ALA  H       4.10 
176 ALA  QB    204 ALA  H       5.60            #peak  2158
176 ALA  QB    204 ALA  QB      6.20            #peak  1887
177 GLN  H     177 GLN  QB      3.80            #peak  1438
177 GLN  H     177 GLN  QE2     5.50            #peak  2719
177 GLN  H     177 GLN  QG      5.00            #peak  1440
177 GLN  H     178 ILE  HA      5.50            #peak  1436
177 GLN  H     178 ILE  HB      5.60            #peak  1439
177 GLN  H     178 ILE  H       5.50            #peak  1427
177 GLN  H     178 ILE  QG1     4.15            #peak  2713
177 GLN  QB    178 ILE  H       4.40            #peak   215
177 GLN  QG    178 ILE  H       5.50            #peak   216
177 GLN  H     202 LYS  HA      5.00            #peak  2715
177 GLN  H     203 TRP  H       5.90 
177 GLN  H     204 ALA  H       4.80            #peak  1431
177 GLN  H     204 ALA  HA      4.20
177 GLN  H     205 LYS  H       5.77            #peak  1430
178 ILE  H     178 ILE  QG1     5.00            #peak   217
178 ILE  H     204 ALA  HA      2.85  5.00E+02
178 ILE  H     204 ALA  QB      5.50            #peak   218
178 ILE  HB    204 ALA  H       5.59
178 ILE  QG1   204 ALA  QB      4.60 
178 ILE  H     205 LYS  H       4.35  5.00E+02
178 ILE  O     205 LYS  H       3.80
179 GLN  QB    180 SER  H       4.80            #peak   510
179 GLN  HA    205 LYS  H       4.32
179 GLN  QB    205 LYS  H       3.97
179 GLN  QB    205 LYS  QG      5.75
179 GLN  HA    206 ASP  HA      2.40  5.00E+02
179 GLN  HA    206 ASP  H       4.20  5.00E+02
180 SER  H     206 ASP  HA      2.90
180 SER  H     207 ILE  H       3.00
180 SER  HA    207 ILE  H       4.00
181 PRO  QB    182 VAL  H       4.00            #peak   181
181 PRO  O     207 ILE  H       3.02
182 VAL  H     182 VAL  QG1     5.80            #peak   160
182 VAL  H     182 VAL  QG2     5.80            #peak   180
182 VAL  H     182 VAL  QQG     5.20            #peak   160
182 VAL  QG1   183 HIS  H       4.20            #peak  1719
182 VAL  QG2   183 HIS  H       4.90            #peak  1930
182 VAL  QQG   183 HIS  H       4.10            #peak  1930
182 VAL  QG1   184 VAL  QG2     4.90            #peak  2061
182 VAL  HA    206 ASP  H       6.80            #peak   356
182 VAL  HA    207 ILE  H       4.80            #peak   667
182 VAL  QQG   207 ILE  H       6.50            #peak   675
182 VAL  QQG   207 ILE  QG2     4.40            #peak  2671
182 VAL  HA    208 THR  H       3.20  5.00E+02
182 VAL  QQG   208 THR  H       5.03            #peak   151
183 HIS  H     183 HIS  HE1     5.90
183 HIS  HA    184 VAL  H       3.55            #peak   287
183 HIS  HD2   185 PHE  HZ      4.60
183 HIS  H     207 ILE  QG2     5.50            #peak    28
183 HIS  H     208 THR  H       5.00
183 HIS  H     208 THR  O       2.30  5.00E+02
183 HIS  H     209 PHE  H       5.50
183 HIS  O     210 HIS  H       3.00  5.00E+02
184 VAL  H     184 VAL  QG1     5.50
184 VAL  H     184 VAL  QG2     5.50
184 VAL  H     184 VAL  QQG     5.00            #peak  2069
184 VAL  QG1   185 PHE  H       5.00 
184 VAL  QG2   185 PHE  H       5.50 
184 VAL  QQG   185 PHE  H       5.35            #peak    64
184 VAL  HA    210 HIS  H       3.00  5.00E+01
185 PHE  H     185 PHE  HZ      6.50            #peak    60
185 PHE  H     185 PHE  QE      6.00            #peak    99
185 PHE  H     210 HIS  H       4.00            #peak   654
185 PHE  H     210 HIS  O       2.40  5.00E+02
185 PHE  HZ    210 HIS  H       5.61            #peak   658
185 PHE  QE    210 HIS  H       5.20            #peak   662
185 PHE  O     211 GLN  HA      2.80  5.00E+02
185 PHE  QD    211 GLN  H       6.50            #peak   731
185 PHE  QB    211 GLN  QB      5.50
185 PHE  QB    211 GLN  QG      5.50
185 PHE  O     212 PHE  H       2.50  5.00E+02
186 ASN  H     186 ASN  QB      3.80
186 ASN  H     186 ASN  QD2     5.50            #peak  2718
186 ASN  HA    188 LEU  QD2     5.90            #peak  1475
186 ASN  H     188 LEU  QD2     5.60            #peak  2711
186 ASN  HA    212 PHE  H       3.10            #peak   801
186 ASN  H     212 PHE  H       5.43            #peak  2728
186 ASN  QB    212 PHE  QB      4.30            #peak  2471
186 ASN  QD2   212 PHE  QD      5.25            #peak   800
187 GLY  QA    189 ASP  H       5.00            #peak  2186
187 GLY  H     212 PHE  O       2.40  5.00E+01
187 GLY  O     214 GLY  H       2.80  5.00E+01
187 GLY  H     212 PHE  QB      4.60            #peak  1187
188 LEU  HA    188 LEU  QQD     5.50            #peak   260
188 LEU  H     188 LEU  HG      4.50            #peak   139
188 LEU  H     188 LEU  QQD     5.75            #peak   252
188 LEU  QB    188 LEU  QQD     5.00            #peak   254
188 LEU  HA    189 ASP  H       3.20            #peak  1754
188 LEU  H     189 ASP  H       4.34            #peak  1753
188 LEU  QB    189 ASP  H       4.60            #peak  1763
188 LEU  HA    190 ASP  H       3.75            #peak   263
188 LEU  HA    190 ASP  QB      5.90
188 LEU  HG    190 ASP  H       5.50            #peak   268
188 LEU  H     190 ASP  H       5.50            #peak   256
188 LEU  QB    190 ASP  H       5.20            #peak   267
188 LEU  QD1   190 ASP  H       6.35            #peak  1435
188 LEU  QB    191 LYS  H       5.30
188 LEU  QQD   191 LYS  HG3     5.50
188 LEU  QQD   191 LYS  H       6.00            #peak   338
188 LEU  QQD   191 LYS  QG      5.50
188 LEU  QB    192 LYS  HA      5.25            #peak  2770
188 LEU  QD1   192 LYS  HA      3.27
188 LEU  QQD   192 LYS  HA      4.15            #peak   332
188 LEU  QD1   193 CYS  H       5.90            #peak  2928
188 LEU  HA    194 ILE  QG2     5.50            #peak  2441
188 LEU  QB    194 ILE  QD1     5.90            #peak  2947
188 LEU  QB    194 ILE  QG2     4.38
188 LEU  QQD   194 ILE  H       6.50            #peak  1635
188 LEU  QQD   194 ILE  QG2     6.00            #peak  1639
188 LEU  QD1   194 ILE  QG2     4.50            #peak  2452
188 LEU  QQD   195 ARG  QD      5.50
188 LEU  QD1   195 ARG  QG      4.40
188 LEU  QD1   195 ARG  H       5.25            #peak   257
188 LEU  QD1   195 ARG  QB      4.60
188 LEU  QQD   195 ARG  QG      5.25
188 LEU  QD1   196 ASP  H       5.60            #peak  1646
188 LEU  QQD   212 PHE  H       6.00            #peak  1578
188 LEU  QD2   212 PHE  QB      5.75            #peak  1476
188 LEU  H     213 ASP  HA      5.46
188 LEU  QB    213 ASP  HA      4.90            #peak  3180
188 LEU  QQD   213 ASP  HA      3.50            #peak   250
188 LEU  QQD   213 ASP  HB2     5.00            #peak   325
188 LEU  QQD   213 ASP  HB3     4.02            #peak  1471
188 LEU  HG    213 ASP  QB      3.80            #peak   498
188 LEU  QQD   213 ASP  QB      4.20
188 LEU  HG    214 GLY  H       3.80            #peak  2730
188 LEU  QB    214 GLY  H       5.75            #peak  2731
188 LEU  QQD   214 GLY  H       5.00            #peak  2729
189 ASP  H     189 ASP  QB      3.90            #peak  1760
189 ASP  H     190 ASP  H       3.50            #peak  1750
189 ASP  HA    214 GLY  H       2.80
189 ASP  H     214 GLY  H       4.90
189 ASP  QB    214 GLY  H       4.79            #peak  2732
189 ASP  HA    215 GLY  H       2.80 
189 ASP  QB    215 GLY  H       4.94            #peak  2747
189 ASP  QB    216 HIS  HD2     6.50
189 ASP  QB    216 HIS  HD1     3.60
189 ASP  QB    216 HIS  HE1     5.25
190 ASP  H     190 ASP  QB      3.80            #peak   265
190 ASP  HA    216 HIS  H       2.97
190 ASP  HA    216 HIS  QB      4.10
190 ASP  H     216 HIS  H       5.50            #peak   256
190 ASP  QB    216 HIS  H       5.40            #peak   496
191 LYS  HA    191 LYS  HG2     5.00            #peak  1960
191 LYS  HA    191 LYS  HG3     5.00            #peak  1860
191 LYS  HA    191 LYS  QG      4.90            #peak  1860
191 LYS  H     191 LYS  QD      6.00
191 LYS  H     191 LYS  QG      5.25
191 LYS  QG    192 LYS  HA      5.25            #peak   959
191 LYS  QG    192 LYS  H       3.40            #peak   495
191 LYS  HG3   193 CYS  H       4.25
191 LYS  QD    193 CYS  H       5.40            #peak  1776
191 LYS  QG    193 CYS  H       4.00            #peak  1968
191 LYS  HD2   194 ILE  QG2     6.00            #peak   865
191 LYS  HD3   194 ILE  QG2     5.50            #peak   864
191 LYS  H     194 ILE  QG2     4.80
191 LYS  QD    194 ILE  HA      5.50            #peak  3272
191 LYS  QD    194 ILE  H       4.30            #peak  1081
191 LYS  QG    194 ILE  HB      4.90            #peak  1855
191 LYS  QG    194 ILE  H       3.80            #peak  2437
191 LYS  QE    194 ILE  QG1     5.50
191 LYS  QG    194 ILE  QG2     4.80            #peak  1921
191 LYS  QE    194 ILE  HB      3.25
191 LYS  QG    195 ARG  H       6.25            #peak  1973
191 LYS  HA    217 MET  HA      6.10
192 LYS  HA    192 LYS  QG      5.50            #peak   207
192 LYS  QB    193 CYS  H       3.70
192 LYS  QB    193 CYS  QB      5.75            #peak  3312
192 LYS  QG    193 CYS  H       5.10            #peak  1778
192 LYS  HA    194 ILE  H       5.00
192 LYS  HA    194 ILE  QG2     4.10            #peak  2462
192 LYS  HB2   194 ILE  H       6.25            #peak  2978
192 LYS  HB3   194 ILE  H       5.48            #peak  2978
192 LYS  QB    194 ILE  H       5.40
192 LYS  QG    194 ILE  H       6.10            #peak  3316
192 LYS  HA    195 ARG  QG      4.90            #peak  2322
192 LYS  QB    195 ARG  QB      6.50            #peak  2976
192 LYS  QB    195 ARG  H       5.75            #peak   560
192 LYS  QB    195 ARG  QG      6.00            #peak  1421
192 LYS  HA    196 ASP  H       5.00            #peak  2332
192 LYS  O     196 ASP  H       2.50  5.00E+00
192 LYS  O     196 ASP  N       3.80  5.00E+00
192 LYS  HA    213 ASP  QB      3.73            #peak   969
192 LYS  H     217 MET  QB      6.50
192 LYS  H     220 LEU  QD1     5.50
192 LYS  H     220 LEU  QQD     5.50            #peak  1332
192 LYS  QB    220 LEU  QD1     5.50
192 LYS  QD    230 ILE  QD1     5.50
192 LYS  QG    230 ILE  HB      6.20
192 LYS  QE    230 ILE  HB      4.90
192 LYS  QZ    230 ILE  QG1     5.25
192 LYS  QD    231 PHE  H       6.00
192 LYS  QD    231 PHE  HA      6.70
193 CYS  H     193 CYS  QB      3.90            #peak  1774
193 CYS  H     194 ILE  H       3.60            #peak  1073
193 CYS  H     194 ILE  QG2     4.85            #peak  2467
193 CYS  QB    194 ILE  H       5.00            #peak  1077
193 CYS  H     195 ARG  H       5.50            #peak  1768
193 CYS  HA    197 ALA  H       5.00            #peak   246
193 CYS  O     197 ALA  H       2.20  5.00E+00
193 CYS  O     197 ALA  N       3.20  5.00E+00
193 CYS  H     220 LEU  QQD     6.00            #peak  1345
194 ILE  HA    194 ILE  QD1     6.50            #peak  2961
194 ILE  HA    194 ILE  QG2     6.00            #peak  2462
194 ILE  HB    194 ILE  QD1     5.50            #peak  1144
194 ILE  H     194 ILE  HB      3.90            #peak  1080
194 ILE  H     194 ILE  QD1     6.50            #peak  2975
194 ILE  H     194 ILE  QG2     5.80
194 ILE  QG2   194 ILE  QD1     5.50            #peak   860
194 ILE  H     195 ARG  HA      5.65            #peak  2347
194 ILE  H     195 ARG  H       4.00            #peak  1072
194 ILE  H     195 ARG  QG      6.05            #peak  2434
194 ILE  QD1   195 ARG  HA      3.95            #peak  1149
194 ILE  QD1   195 ARG  H       4.40            #peak  2816
194 ILE  QD1   195 ARG  QB      5.25
194 ILE  QG1   195 ARG  H       4.70            #peak  2654
194 ILE  QG2   195 ARG  HA      5.00            #peak   857
194 ILE  QG2   195 ARG  H       3.60            #peak   861
194 ILE  QG2   195 ARG  QB      4.90            #peak   865
194 ILE  QG2   195 ARG  QG      5.75            #peak   866
194 ILE  QG2   196 ASP  H       5.40            #peak  2466
194 ILE  HA    197 ALA  H       4.25            #peak   248
194 ILE  H     197 ALA  H       5.50            #peak   240
194 ILE  QD1   197 ALA  H       6.70            #peak   255
194 ILE  QG1   197 ALA  H       6.60            #peak  2465
194 ILE  HA    198 GLU  H       4.50
194 ILE  HA    198 GLU  QG      5.00            #peak  1079
194 ILE  O     198 GLU  H       2.10  5.00E+00
194 ILE  O     198 GLU  N       3.10  5.00E+00
194 ILE  QD1   198 GLU  H       5.50            #peak  2909
194 ILE  QG1   198 GLU  QB      6.10            #peak  1112
194 ILE  QG1   198 GLU  QG      4.90
194 ILE  QD1   198 GLU  QG      5.25            #peak  2454
194 ILE  QD1   199 GLY  H       6.50            #peak  2954
195 ARG  HA    195 ARG  QD      5.00            #peak  2500
195 ARG  H     195 ARG  HA      3.20            #peak   566
195 ARG  H     195 ARG  QB      4.20            #peak   562
195 ARG  H     195 ARG  QD      5.80            #peak  2647
195 ARG  H     195 ARG  QG      5.00            #peak   561
195 ARG  H     196 ASP  H       3.45            #peak   569
195 ARG  QB    196 ASP  H       4.20            #peak  1786
195 ARG  QG    196 ASP  HA      4.60            #peak  1295
195 ARG  QG    196 ASP  H       4.00            #peak  1787
195 ARG  QG    196 ASP  QB      5.50            #peak  2787
195 ARG  HA    197 ALA  H       5.00
195 ARG  H     197 ALA  H       4.90            #peak   241
195 ARG  H     198 GLU  H       5.50            #peak  1796
195 ARG  HA    198 GLU  QG      5.00
195 ARG  HA    199 GLY  H       4.65 
195 ARG  O     199 GLY  H       2.32  5.00E+00
195 ARG  O     199 GLY  N       3.20  5.00E+00
195 ARG  HE    211 GLN  QB      5.25
196 ASP  H     196 ASP  QB      3.90            #peak  1790
196 ASP  H     197 ALA  H       3.20            #peak   243
196 ASP  QB    197 ALA  H       4.40            #peak  2804
196 ASP  H     198 GLU  H       4.90
196 ASP  O     200 TRP  H       2.20  5.00E+00
196 ASP  O     200 TRP  N       3.10  5.00E+00
197 ALA  H     197 ALA  QB      3.90            #peak   252
197 ALA  H     198 GLU  HA      5.50            #peak  2296
197 ALA  H     198 GLU  H       3.60            #peak   239
197 ALA  QB    198 GLU  H       3.50            #peak  1808
197 ALA  HA    199 GLY  H       5.40
197 ALA  QB    199 GLY  H       5.00            #peak  2190
197 ALA  HA    201 LYS  H       5.80            #peak  1412
197 ALA  H     201 LYS  H       5.95            #peak   240
197 ALA  O     201 LYS  H       2.30  5.00E+00
197 ALA  O     201 LYS  N       3.10  5.00E+00
198 GLU  HA    198 GLU  QG      5.50
198 GLU  H     198 GLU  QB      4.00
198 GLU  H     198 GLU  QG      5.50            #peak  1806
198 GLU  HA    199 GLY  HA2     5.10            #peak  2500
198 GLU  HA    199 GLY  QA      5.00 
198 GLU  H     199 GLY  H       3.40            #peak  1793
198 GLU  H     199 GLY  QA      5.40
198 GLU  QB    199 GLY  H       4.30            #peak    59
198 GLU  HA    200 TRP  H       5.10            #peak  2302
198 GLU  H     200 TRP  H       4.80            #peak  1794
198 GLU  HA    201 LYS  HB3     4.00            #peak    24
198 GLU  HA    201 LYS  HD2     4.80            #peak   948
198 GLU  HA    201 LYS  H       4.30 
198 GLU  HA    201 LYS  QB      4.70
198 GLU  HA    201 LYS  QG      4.10            #peak  1912
199 GLY  H     200 TRP  HB3     5.40            #peak  2726
199 GLY  H     200 TRP  H       3.90            #peak  1902
199 GLY  H     200 TRP  QB      5.50            #peak  2726
199 GLY  H     201 LYS  HA      6.15
199 GLY  H     201 LYS  HB3     4.90            #peak  1913
199 GLY  H     201 LYS  HG2     6.50            #peak  1916
199 GLY  H     201 LYS  HG3     5.90            #peak  2725
199 GLY  H     201 LYS  H       4.70 
199 GLY  H     201 LYS  QG      5.90
199 GLY  HA2   202 LYS  H       4.95            #peak  2727
199 GLY  H     202 LYS  H       5.35            #peak  1906
200 TRP  H     200 TRP  HD1     5.50
200 TRP  H     200 TRP  HE3     5.50            #peak   460
200 TRP  HD1   201 LYS  H       5.50            #peak  1417
200 TRP  H     201 LYS  HA      5.50            #peak   455
200 TRP  H     201 LYS  HB3     4.55            #peak   453
200 TRP  H     201 LYS  H       5.52            #peak  1410
200 TRP  QB    201 LYS  H       4.00            #peak  1420
200 TRP  HA    203 TRP  H       4.70            #peak  1379
200 TRP  HD1   203 TRP  HZ2     5.85
200 TRP  HE1   203 TRP  HH2     5.40 
200 TRP  HZ3   209 PHE  QD      6.25
200 TRP  HH2   209 PHE  HZ      3.80 
200 TRP  HZ3   209 PHE  HD1     4.62
201 LYS  HB2   201 LYS  HG2     4.00            #peak   124
201 LYS  HB3   201 LYS  HD2     4.50            #peak    13
201 LYS  H     201 LYS  HB3     4.20            #peak  1414
201 LYS  H     201 LYS  HD2     5.90            #peak  1421
201 LYS  H     201 LYS  HD3     5.90            #peak  1422
201 LYS  H     201 LYS  HG2     4.90            #peak  1423
201 LYS  H     201 LYS  HG3     4.90            #peak   109
201 LYS  H     201 LYS  QB      4.00
201 LYS  H     201 LYS  QG      4.90
201 LYS  QB    201 LYS  QD      5.50 
201 LYS  HB3   202 LYS  H       4.50            #peak  1398
201 LYS  HD2   202 LYS  H       5.75            #peak  1401
201 LYS  HD3   202 LYS  HA      4.60            #peak  2528
201 LYS  H     202 LYS  H       3.80            #peak  1409
201 LYS  H     202 LYS  QG      5.40            #peak  1635
201 LYS  QB    202 LYS  H       3.95
201 LYS  QD    202 LYS  H       5.34
201 LYS  QD    202 LYS  QG      4.90
201 LYS  QE    202 LYS  H       4.60            #peak  1399
201 LYS  HA    203 TRP  H       5.07            #peak  1380
201 LYS  QD    203 TRP  H       6.05            #peak  1388#etwas lang!
201 LYS  QD    204 ALA  H       6.75
202 LYS  HA    202 LYS  HG2     5.50            #peak   343
202 LYS  HA    202 LYS  HG3     5.50            #peak  1112
202 LYS  HA    202 LYS  QG      5.50
202 LYS  H     202 LYS  HG2     4.80            #peak  1404
202 LYS  H     202 LYS  HG3     4.80            #peak  1405
202 LYS  H     202 LYS  QB      3.80            #peak  1402
202 LYS  H     202 LYS  QG      5.00            #peak  1404
202 LYS  HG2   203 TRP  H       5.50            #peak  1385
202 LYS  HG3   203 TRP  H       4.30            #peak  1384
202 LYS  H     203 TRP  HB2     5.50            #peak  1397
202 LYS  H     203 TRP  H       3.40            #peak  1391
202 LYS  QB    203 TRP  H       5.30            #peak  1387
202 LYS  QD    203 TRP  H       5.20            #peak  1386
202 LYS  QG    203 TRP  HA      5.75            #peak  1601
202 LYS  QG    203 TRP  QB      6.00            #peak  1588
202 LYS  QG    203 TRP  H       3.75            #peak  1385
202 LYS  HA    204 ALA  H       4.90            #peak   470
202 LYS  H     204 ALA  H       4.60
202 LYS  H     204 ALA  QB      6.10
202 LYS  QB    204 ALA  H       4.35            #peak   478
202 LYS  QD    204 ALA  QB      4.75            #peak   525
202 LYS  QG    204 ALA  H       3.20            #peak   480
202 LYS  QG    204 ALA  QB      4.52            #peak  1888
203 TRP  H     203 TRP  HD1     5.50
203 TRP  H     203 TRP  HE1     5.90            #peak  1368
203 TRP  HB3   204 ALA  H       4.50            #peak   469
203 TRP  HE3   204 ALA  H       5.75            #peak   462
203 TRP  H     204 ALA  H       3.10            #peak   463
203 TRP  QB    204 ALA  H       4.30
203 TRP  HA    205 LYS  QD      5.30            #peak  3037
204 ALA  H     204 ALA  QB      3.80            #peak   477
204 ALA  HA    205 LYS  H       3.50            #peak  1063
204 ALA  HA    205 LYS  QD      4.80 
204 ALA  H     205 LYS  H       5.30            #peak  2391
204 ALA  H     205 LYS  QB      5.80
204 ALA  H     205 LYS  QD      5.50            #peak  3041
204 ALA  QB    205 LYS  H       3.80            #peak  1068
204 ALA  HA    206 ASP  H       5.75            #peak   356
204 ALA  QB    206 ASP  H       5.50            #peak   363
205 LYS  HA    205 LYS  QD      6.50
205 LYS  HA    205 LYS  QG      5.50            #peak   247
205 LYS  H     205 LYS  QB      3.80            #peak  1066
205 LYS  H     205 LYS  QD      5.90
205 LYS  H     205 LYS  QG      5.00
205 LYS  QB    205 LYS  QD      5.50            #peak    36
205 LYS  QD    205 LYS  QE      4.50            #peak    42
205 LYS  QG    205 LYS  QE      4.90            #peak   245
205 LYS  H     206 ASP  HA      5.50            #peak  1064
205 LYS  H     206 ASP  H       4.50            #peak   355
205 LYS  QB    206 ASP  H       4.00
205 LYS  QD    206 ASP  H       6.50            #peak  3045
205 LYS  QG    206 ASP  H       5.50            #peak  2193
205 LYS  HA    209 PHE  QB      4.56
205 LYS  QB    209 PHE  QB      5.71
205 LYS  QG    209 PHE  QE      5.50
206 ASP  H     206 ASP  HB2     4.20            #peak   361
206 ASP  H     206 ASP  HB3     4.20            #peak   360
206 ASP  H     206 ASP  QB      4.00            #peak   360
206 ASP  HA    207 ILE  H       3.00            #peak   668
206 ASP  HA    207 ILE  QG2     6.00            #peak  2687
206 ASP  HB2   207 ILE  H       3.80            #peak   670
206 ASP  HB3   207 ILE  H       3.80            #peak   669
206 ASP  H     207 ILE  H       5.00            #peak   665
206 ASP  QB    207 ILE  HB      5.50            #peak   359
206 ASP  QB    207 ILE  H       3.20            #peak   670
206 ASP  HA    208 THR  H       4.60
206 ASP  H     208 THR  H       4.90            #peak   354
206 ASP  H     209 PHE  HA      5.50            #peak   356
207 ILE  HA    207 ILE  QD1     6.00
207 ILE  H     207 ILE  HB      4.50            #peak   674
207 ILE  H     207 ILE  QG2     5.90            #peak   676
207 ILE  HB    208 THR  H       4.70 
207 ILE  QG1   208 THR  H       5.00
207 ILE  QG2   208 THR  H       4.15            #peak   972
207 ILE  QG2   209 PHE  H       6.50            #peak    95
208 THR  HA    208 THR  QG2     6.00            #peak   626
208 THR  H     208 THR  QG2     5.50            #peak  2100
208 THR  HA    209 PHE  H       3.10            #peak    91
208 THR  QG2   209 PHE  HB2     6.50            #peak  2097
208 THR  QG2   209 PHE  H       4.25            #peak   624
208 THR  QG2   209 PHE  QB      6.50
209 PHE  H     209 PHE  HB2     4.20            #peak    92
209 PHE  H     209 PHE  HB3     4.20            #peak    93
209 PHE  H     209 PHE  QB      3.80 
209 PHE  H     209 PHE  QD      6.00            #peak    89
209 PHE  HB2   210 HIS  H       5.50            #peak   661
209 PHE  HB3   210 HIS  H       4.70            #peak   660
209 PHE  H     210 HIS  H       5.50            #peak   654
209 PHE  QB    210 HIS  H       4.30 
209 PHE  QD    210 HIS  H       4.55            #peak   656
209 PHE  HZ    237 HIS  HE1     5.05
210 HIS  HA    211 GLN  H       3.00            #peak   732
210 HIS  HD2   211 GLN  H       5.50            #peak   742
210 HIS  HE1   211 GLN  H       5.50            #peak   731
210 HIS  H     211 GLN  H       4.60            #peak   655
210 HIS  QB    211 GLN  H       4.00            #peak   739
210 HIS  HD2   235 ASN  HA      6.55 
210 HIS  HD1   237 HIS  HD2     4.50
210 HIS  HE1   237 HIS  HB3     3.60 
210 HIS  HE1   237 HIS  HD2     4.00 
210 HIS  HE1   237 HIS  QB      4.00 
211 GLN  H     211 GLN  HB2     4.20            #peak  2170
211 GLN  H     211 GLN  HB3     4.20            #peak  2169
211 GLN  H     211 GLN  QB      3.80            #peak  2170
211 GLN  H     211 GLN  QE2     6.25            #peak   730
211 GLN  QB    212 PHE  H       4.12            #peak  2220
211 GLN  H     234 LEU  HA      6.80
212 PHE  H     212 PHE  QD      6.50            #peak   800
212 PHE  HA    213 ASP  H       2.90            #peak   486
212 PHE  HA    213 ASP  QB      5.40 
212 PHE  H     213 ASP  HA      5.40            #peak   803
212 PHE  H     213 ASP  H       5.07
212 PHE  QD    213 ASP  H       3.90            #peak   485
212 PHE  HE1   231 PHE  QD      4.75
212 PHE  HE1   231 PHE  HD1     5.00
212 PHE  HE1   231 PHE  HZ      4.50
212 PHE  HZ    231 PHE  HZ      4.10
212 PHE  QD    231 PHE  QE      6.20
212 PHE  QE    231 PHE  HZ      4.90
213 ASP  H     213 ASP  HB2     4.50
213 ASP  H     213 ASP  HB3     4.50
213 ASP  H     213 ASP  QB      3.80
213 ASP  HA    214 GLY  H       3.10            #peak  2739
213 ASP  HB3   214 GLY  H       4.20 
213 ASP  H     214 GLY  H       4.55            #peak  2745
213 ASP  QB    214 GLY  H       4.10            #peak  2733
213 ASP  H     231 PHE  HA      5.50
213 ASP  H     234 LEU  HG      4.60
214 GLY  H     215 GLY  H       4.10            #peak  2743
214 GLY  QA    215 GLY  H       3.55            #peak  1879
214 GLY  QA    231 PHE  QD      6.00
215 GLY  H     216 HIS  H       4.10
215 GLY  QA    216 HIS  QB      5.80            #peak   209
215 GLY  QA    220 LEU  HA      5.70
215 GLY  QA    220 LEU  QQD     4.40
215 GLY  QA    227 ALA  QB      6.25
216 HIS  H     216 HIS  QB      3.90            #peak  2107
216 HIS  QB    216 HIS  HE1     5.50            #peak  1840
216 HIS  HA    217 MET  H       3.50            #peak  1865
216 HIS  H     217 MET  H       4.10            #peak  1861
216 HIS  QB    217 MET  H       4.40            #peak  1866
216 HIS  H     220 LEU  QB      5.34            #peak   496
216 HIS  HA    221 SER  HA      4.83
217 MET  H     217 MET  HB2     4.20            #peak  1868
217 MET  H     217 MET  HB3     4.20            #peak  1869
217 MET  H     217 MET  HG2     5.90 
217 MET  H     217 MET  HG3     5.90 
217 MET  H     217 MET  QB      3.90            #peak  1868
217 MET  H     217 MET  QG      5.50
217 MET  H     220 LEU  HA      5.30
217 MET  HA    220 LEU  HG      4.75            #peak  1280
217 MET  HA    220 LEU  QQD     6.20            #peak  1326
217 MET  H     220 LEU  HB2     6.00            #peak  2417
217 MET  H     220 LEU  HB3     4.50            #peak  2423
217 MET  H     220 LEU  HG      3.60            #peak   123
217 MET  H     220 LEU  QB      3.80            #peak  4000
217 MET  QB    220 LEU  HG      4.00            #peak  1277
217 MET  QB    220 LEU  QQD     4.25            #peak   180
217 MET  QG    220 LEU  QB      6.00            #peak  1754
217 MET  QG    220 LEU  QQD     6.00            #peak  1335
217 MET  O     221 SER  H       2.50  5.00E+00
217 MET  O     221 SER  N       3.80  5.00E+00
217 MET  HA    221 SER  H       5.40
217 MET  QB    221 SER  H       4.50            #peak  2833
218 PHE  H     221 SER  H       5.00
218 PHE  HA    222 GLN  H       5.50
219 LEU  HA    219 LEU  QQD     6.50 
219 LEU  QB    220 LEU  HA      4.40            #peak  2572
219 LEU  QD1   220 LEU  H       5.60
219 LEU  QQD   220 LEU  H       5.25            #peak  2837
219 LEU  QB    222 GLN  H       5.20
219 LEU  QQD   222 GLN  H       6.00            #peak   117
219 LEU  HA    223 THR  H       4.20            #peak  1820
219 LEU  QD1   223 THR  H       5.80 
219 LEU  QD2   223 THR  H       5.50            #peak  1828
219 LEU  QQD   223 THR  H       5.50            #peak  1477
219 LEU  QQD   223 THR  HG1     4.90            #peak  1752
219 LEU  QD1   226 VAL  QG2     7.00
220 LEU  H     220 LEU  QD1     6.00            #peak   175
220 LEU  H     220 LEU  QD2     6.00            #peak  2837
220 LEU  H     220 LEU  QQD     6.00            #peak   175
220 LEU  HB3   221 SER  H       4.51 
220 LEU  H     221 SER  H       3.70            #peak  1848
220 LEU  QB    221 SER  H       3.50            #peak  1535
220 LEU  QB    221 SER  QB      5.50            #peak  1438
220 LEU  QD1   221 SER  H       5.75            #peak  1330
220 LEU  QD2   221 SER  H       5.25            #peak  1856
220 LEU  QQD   221 SER  H       5.25 
220 LEU  HA    222 GLN  H       4.50            #peak  3141
220 LEU  QB    222 GLN  H       5.40            #peak  3355
220 LEU  QQD   222 GLN  H       6.70
220 LEU  HA    223 THR  H       4.00
220 LEU  QB    223 THR  H       5.73 
220 LEU  QQD   223 THR  H       6.70
220 LEU  HA    226 VAL  HB      5.00
220 LEU  QD1   226 VAL  QG1     5.75
220 LEU  HA    227 ALA  QB      5.70
220 LEU  QQD   227 ALA  QB      5.80            #peak  1348
221 SER  H     221 SER  QB      3.80            #peak  1851
221 SER  H     222 GLN  H       3.55            #peak  1844
221 SER  H     222 GLN  QG      6.00
221 SER  HA    223 THR  H       5.05            #peak  1817
221 SER  H     223 THR  H       4.45            #peak  1847
221 SER  H     227 ALA  QB      6.90 
222 GLN  H     222 GLN  QG      6.00
222 GLN  HA    223 THR  H       3.60            #peak  1818
222 GLN  H     223 THR  H       3.50            #peak   109
222 GLN  QB    223 THR  H       4.30            #peak  1823
222 GLN  QB    223 THR  QG2     6.00            #peak  1754
222 GLN  QG    223 THR  H       5.00            #peak  1748
223 THR  H     223 THR  QG2     5.50            #peak  1821
223 THR  H     224 GLU  H       4.36            #peak  1812
223 THR  QG2   224 GLU  H       5.00            #peak  1769
223 THR  HA    225 GLU  H       4.39            #peak  2667
223 THR  HB    225 GLU  H       4.55            #peak  2233
223 THR  H     225 GLU  H       5.57 
223 THR  HA    226 VAL  H       5.47            #peak   632
223 THR  QG2   226 VAL  QQG     5.50 
223 THR  O     227 ALA  H       2.70  5.00E+00
223 THR  O     227 ALA  N       3.50  5.00E+00
224 GLU  QB    224 GLU  QG      4.80            #peak  1731
224 GLU  H     225 GLU  H       3.40            #peak   973
224 GLU  QG    225 GLU  H       4.50            #peak  2670
224 GLU  O     228 GLU  H       2.10  5.00E+00
224 GLU  O     228 GLU  N       3.10  5.00E+00
225 GLU  HA    225 GLU  QG      4.80 
225 GLU  H     225 GLU  HA      3.50            #peak   983
225 GLU  H     225 GLU  QB      4.00            #peak   993
225 GLU  H     225 GLU  QG      5.50            #peak  1056
225 GLU  HB2   226 VAL  H       6.00
225 GLU  HB3   226 VAL  H       4.14 
225 GLU  H     226 VAL  QG2     5.50 
225 GLU  H     226 VAL  QQG     6.10            #peak  1058
225 GLU  QB    226 VAL  H       3.75 
225 GLU  QG    226 VAL  H       5.00            #peak   640
225 GLU  H     227 ALA  H       4.10 
225 GLU  QB    227 ALA  H       5.80
225 GLU  QG    227 ALA  H       6.50            #peak   620
225 GLU  HA    228 GLU  H       4.30 
225 GLU  H     228 GLU  H       5.18 
225 GLU  HA    229 ARG  H       4.55            #peak  2245
225 GLU  O     229 ARG  H       2.10  5.00E+00
225 GLU  O     229 ARG  N       3.10  5.00E+00
226 VAL  H     226 VAL  QG1     5.80            #peak   636
226 VAL  H     226 VAL  QG2     5.80            #peak   635
226 VAL  HA    227 ALA  QB      6.00            #peak  2195
226 VAL  HB    227 ALA  H       4.60            #peak   621
226 VAL  H     227 ALA  QB      5.40            #peak   638
226 VAL  QG1   227 ALA  H       4.75            #peak   625
226 VAL  QG2   227 ALA  H       4.50 
226 VAL  QQG   227 ALA  H       4.15            #peak   625
226 VAL  QQG   227 ALA  QB      6.50            #peak  2179
226 VAL  HA    228 GLU  H       5.16 
226 VAL  H     228 GLU  H       5.00            #peak  1344
226 VAL  QQG   228 GLU  H       6.50            #peak  1354
226 VAL  HA    229 ARG  H       3.80 
226 VAL  QQG   229 ARG  H       6.00 
226 VAL  HB    230 ILE  QG1     5.50 
226 VAL  O     230 ILE  H       2.10  5.00E+00
226 VAL  O     230 ILE  N       3.20  5.00E+00
226 VAL  QQG   230 ILE  H       5.80            #peak  2584
226 VAL  QQG   230 ILE  QG1     5.80 
227 ALA  H     227 ALA  QB      3.90            #peak   623
227 ALA  H     228 GLU  H       3.72            #peak  1343
227 ALA  H     228 GLU  QB      5.65            #peak   620
227 ALA  QB    228 GLU  HA      4.70            #peak  2310
227 ALA  QB    228 GLU  H       3.36            #peak  1352
227 ALA  H     230 ILE  H       5.20 
227 ALA  O     231 PHE  H       2.20  5.00E+00
227 ALA  O     231 PHE  N       3.10  5.00E+00
228 GLU  H     228 GLU  HB2     4.20 
228 GLU  H     228 GLU  QB      3.90            #peak  1349
228 GLU  H     228 GLU  QG      5.90 
228 GLU  H     229 ARG  H       3.45 
228 GLU  HA    230 ILE  H       5.00 
228 GLU  H     230 ILE  H       4.62            #peak  1325
228 GLU  HA    231 PHE  H       4.10 
228 GLU  HA    231 PHE  QB      4.80            #peak   940
228 GLU  HA    232 ALA  QB      5.30            #peak  2320
228 GLU  O     232 ALA  H       2.15  5.00E+00
228 GLU  O     232 ALA  N       3.10  5.00E+00
229 ARG  H     229 ARG  HB2     3.80            #peak  2820
229 ARG  H     229 ARG  HB3     3.80            #peak  2652
229 ARG  H     229 ARG  HE      6.80            #peak  2827
229 ARG  H     229 ARG  QB      3.80
229 ARG  H     229 ARG  QG      5.50            #peak  2817
229 ARG  H     230 ILE  H       4.44            #peak  2809
229 ARG  QB    230 ILE  H       3.96            #peak  1329
229 ARG  HA    232 ALA  QB      4.41            #peak  2321
229 ARG  O     233 ILE  H       2.30  5.00E+00
229 ARG  O     233 ILE  N       3.30  5.00E+00
230 ILE  H     230 ILE  QG1     5.80            #peak  1330
230 ILE  H     230 ILE  QG2     5.80            #peak  1328
230 ILE  HB    231 PHE  H       4.24            #peak   588
230 ILE  H     231 PHE  H       4.00            #peak  2571
230 ILE  QG2   231 PHE  H       4.81 
230 ILE  HB    232 ALA  H       5.26            #peak  2799
230 ILE  H     232 ALA  H       4.50 
230 ILE  QG2   232 ALA  H       6.00            #peak  2815
230 ILE  QG1   233 ILE  QG2     6.75            #peak  1850
230 ILE  QG2   233 ILE  H       6.50
230 ILE  O     234 LEU  H       2.20  5.00E+00
230 ILE  O     234 LEU  N       3.10  5.00E+00
230 ILE  QG2   234 LEU  QB      5.50            #peak  2812
230 ILE  QG2   234 LEU  QD2     5.50
231 PHE  H     231 PHE  QB      3.80            #peak   581
231 PHE  H     231 PHE  QD      6.00            #peak   580
231 PHE  HB2   232 ALA  H       5.50            #peak  2802
231 PHE  HB3   232 ALA  H       4.10            #peak  2801
231 PHE  H     232 ALA  H       4.00            #peak   579
231 PHE  H     232 ALA  QB      5.50            #peak   585
231 PHE  QB    232 ALA  H       3.26            #peak  2801
231 PHE  QD    232 ALA  H       4.40            #peak  2807
231 PHE  HA    234 LEU  HA      5.40
231 PHE  HA    234 LEU  QB      4.00            #peak  1477
231 PHE  HA    235 ASN  H       4.80 
231 PHE  O     235 ASN  H       2.10  5.00E+00
231 PHE  O     235 ASN  N       3.10  5.00E+00
232 ALA  H     232 ALA  QB      3.80            #peak  2798
232 ALA  H     233 ILE  H       3.63            #peak   856
232 ALA  HA    233 ILE  H       4.00
232 ALA  QB    233 ILE  HA      4.65            #peak  2301
232 ALA  QB    233 ILE  H       2.97            #peak  2788
232 ALA  QB    233 ILE  QG2     5.79            #peak  2512
232 ALA  HA    234 LEU  H       4.35            #peak  2600
232 ALA  H     234 LEU  QB      5.80            #peak  2799
232 ALA  QB    234 LEU  H       5.00
232 ALA  H     235 ASN  H       5.20
232 ALA  QB    235 ASN  H       5.55            #peak  1635
232 ALA  O     236 GLN  H       2.30  5.00E+00
232 ALA  O     236 GLN  N       3.20  5.00E+00
233 ILE  H     233 ILE  HB      3.80            #peak  2789
233 ILE  H     233 ILE  QG2     5.50            #peak  2784
233 ILE  QG2   233 ILE  QD1     4.90            #peak  2570
233 ILE  QG2   234 LEU  HG      6.00            #peak  2511
233 ILE  HA    235 ASN  H       5.00            #peak  1629
233 ILE  H     235 ASN  H       4.54
233 ILE  HA    236 GLN  H       4.00
233 ILE  HG13  237 HIS  H       5.20
233 ILE  HD13  237 HIS  HA      4.20
233 ILE  O     237 HIS  H       2.30  5.00E+00
233 ILE  O     237 HIS  N       3.30  5.00E+00
234 LEU  H     235 ASN  HA      5.50
234 LEU  QB    235 ASN  H       4.25            #peak  1634
234 LEU  QB    237 HIS  H       5.67
235 ASN  H     235 ASN  QB      3.80            #peak  1630
235 ASN  HB2   236 GLN  H       5.80
235 ASN  HB3   236 GLN  H       4.50
235 ASN  H     236 GLN  H       3.40            #peak  1121
235 ASN  H     236 GLN  QG      5.80            #peak  1631
235 ASN  QB    236 GLN  H       4.00 
236 GLN  H     236 GLN  QB      3.80            #peak  1131
236 GLN  H     236 GLN  QG      4.90            #peak  1129
236 GLN  H     237 HIS  H       4.00            #peak   886
236 GLN  H     238 PRO  QD      5.50
236 GLN  HA    239 ILE  H       4.92
236 GLN  QB    240 ILE  H       6.25
236 GLN  HA    241 GLN  HG2     6.50
237 HIS  H     238 PRO  HA      5.60
237 HIS  H     238 PRO  QD      3.80
238 PRO  QB    239 ILE  H       4.60
239 ILE  HA    240 ILE  HA      4.40
239 ILE  QG2   240 ILE  H       5.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   1.808   0.000   0.855
    2    HA   MET   1           HA       MET   1   2.071   1.001  -1.645
    3    HB2  MET   1           2HB      MET   1   4.108  -0.305  -1.890
    4    HB3  MET   1           3HB      MET   1   3.960   0.278  -0.237
    5    HG2  MET   1           2HG      MET   1   3.029  -1.962   0.374
    6    HG3  MET   1           3HG      MET   1   3.446  -2.503  -1.250
    7    HE1  MET   1           3HE      MET   1   7.226  -2.661  -1.328
    8    HE2  MET   1           1HE      MET   1   5.813  -3.637  -1.731
    9    HE3  MET   1           2HE      MET   1   5.883  -1.944  -2.219
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   3.071  -1.980   1.447
    2    HA   MET   1           HA       MET   1   3.852  -2.129  -1.051
    3    HB2  MET   1           2HB      MET   1   3.782  -4.510   0.807
    4    HB3  MET   1           3HB      MET   1   4.738  -4.438  -0.667
    5    HG2  MET   1           2HG      MET   1   6.146  -2.777   0.190
    6    HG3  MET   1           3HG      MET   1   5.034  -2.396   1.504
    7    HE1  MET   1           3HE      MET   1   4.919  -4.912   3.811
    8    HE2  MET   1           1HE      MET   1   6.236  -3.844   4.298
    9    HE3  MET   1           2HE      MET   1   4.842  -3.190   3.438
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   2.608  -4.705   0.402
    2    HA   MET   1           HA       MET   1   3.393  -2.072  -0.656
    3    HB2  MET   1           2HB      MET   1   4.587  -4.780  -1.273
    4    HB3  MET   1           3HB      MET   1   5.154  -3.235  -1.890
    5    HG2  MET   1           2HG      MET   1   5.354  -2.670   0.673
    6    HG3  MET   1           3HG      MET   1   5.445  -4.425   0.813
    7    HE1  MET   1           3HE      MET   1   8.193  -2.403   1.618
    8    HE2  MET   1           1HE      MET   1   7.518  -3.980   2.030
    9    HE3  MET   1           2HE      MET   1   9.104  -3.873   1.267
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   2.529  -4.073   1.414
    2    HA   MET   1           HA       MET   1   3.225  -1.813  -0.322
    3    HB2  MET   1           2HB      MET   1   4.993  -3.295  -1.204
    4    HB3  MET   1           3HB      MET   1   5.126  -3.053   0.533
    5    HG2  MET   1           2HG      MET   1   4.062  -5.228   0.907
    6    HG3  MET   1           3HG      MET   1   3.970  -5.470  -0.836
    7    HE1  MET   1           3HE      MET   1   7.124  -7.156  -1.674
    8    HE2  MET   1           1HE      MET   1   5.376  -7.352  -1.541
    9    HE3  MET   1           2HE      MET   1   6.045  -5.958  -2.390
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   2.366  -5.154  -0.607
    2    HA   MET   1           HA       MET   1   2.818  -2.529  -1.685
    3    HB2  MET   1           2HB      MET   1   3.871  -5.255  -2.441
    4    HB3  MET   1           3HB      MET   1   4.347  -3.775  -3.262
    5    HG2  MET   1           2HG      MET   1   4.637  -4.020  -0.300
    6    HG3  MET   1           3HG      MET   1   5.836  -4.726  -1.382
    7    HE1  MET   1           3HE      MET   1   7.970  -2.201  -0.325
    8    HE2  MET   1           1HE      MET   1   7.660  -3.832  -0.921
    9    HE3  MET   1           2HE      MET   1   8.172  -2.567  -2.039
  Start of MODEL    6
    1    H1   MET   1           H        MET   1   4.071  -2.953  -1.525
    2    HA   MET   1           HA       MET   1   2.079  -2.055   0.450
    3    HB2  MET   1           2HB      MET   1   3.698  -0.344  -0.500
    4    HB3  MET   1           3HB      MET   1   2.893  -0.572  -2.047
    5    HG2  MET   1           2HG      MET   1   0.738  -0.047  -0.670
    6    HG3  MET   1           3HG      MET   1   1.881   0.694   0.449
    7    HE1  MET   1           3HE      MET   1   3.191   3.060  -0.112
    8    HE2  MET   1           1HE      MET   1   1.956   4.116  -0.798
    9    HE3  MET   1           2HE      MET   1   1.534   2.988   0.489
  Start of MODEL    7
    1    H1   MET   1           H        MET   1   3.642  -1.954  -2.170
    2    HA   MET   1           HA       MET   1   1.902  -1.166   0.068
    3    HB2  MET   1           2HB      MET   1   3.157   0.778  -0.924
    4    HB3  MET   1           3HB      MET   1   2.312   0.473  -2.436
    5    HG2  MET   1           2HG      MET   1   0.203   0.971  -1.442
    6    HG3  MET   1           3HG      MET   1   0.921   1.050   0.165
    7    HE1  MET   1           3HE      MET   1  -0.280   4.702  -1.255
    8    HE2  MET   1           1HE      MET   1  -0.737   3.255  -2.154
    9    HE3  MET   1           2HE      MET   1  -0.870   3.279  -0.396
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   4.137  -6.053   0.338
    2    HA   MET   1           HA       MET   1   3.099  -3.314   0.361
    3    HB2  MET   1           2HB      MET   1   5.277  -4.613  -1.283
    4    HB3  MET   1           3HB      MET   1   4.759  -2.943  -1.472
    5    HG2  MET   1           2HG      MET   1   5.466  -2.426   0.775
    6    HG3  MET   1           3HG      MET   1   5.883  -4.114   1.060
    7    HE1  MET   1           3HE      MET   1   9.448  -2.680   0.995
    8    HE2  MET   1           1HE      MET   1   8.054  -1.832   1.663
    9    HE3  MET   1           2HE      MET   1   8.214  -3.574   1.884
  Start of MODEL    9
    1    H1   MET   1           H        MET   1   1.942  -2.668   1.336
    2    HA   MET   1           HA       MET   1   3.104  -1.442  -0.952
    3    HB2  MET   1           2HB      MET   1   3.460  -4.065   0.450
    4    HB3  MET   1           3HB      MET   1   4.202  -3.812  -1.124
    5    HG2  MET   1           2HG      MET   1   5.908  -3.168   0.234
    6    HG3  MET   1           3HG      MET   1   5.096  -1.621   0.003
    7    HE1  MET   1           3HE      MET   1   6.122  -4.196   3.149
    8    HE2  MET   1           1HE      MET   1   7.036  -3.234   1.987
    9    HE3  MET   1           2HE      MET   1   6.725  -2.601   3.604
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   2.217   0.286  -0.505
    2    HA   MET   1           HA       MET   1   1.997  -2.340   0.783
    3    HB2  MET   1           2HB      MET   1   0.026  -0.084   1.188
    4    HB3  MET   1           3HB      MET   1  -0.103  -1.706   1.853
    5    HG2  MET   1           2HG      MET   1   1.597  -1.359   3.382
    6    HG3  MET   1           3HG      MET   1   2.276  -0.013   2.470
    7    HE1  MET   1           3HE      MET   1  -0.510   0.115   5.926
    8    HE2  MET   1           1HE      MET   1  -1.170  -0.885   4.631
    9    HE3  MET   1           2HE      MET   1   0.443  -1.215   5.263
  Start of MODEL   11
    1    H1   MET   1           H        MET   1   2.778  -4.289  -0.166
    2    HA   MET   1           HA       MET   1   2.759  -1.501  -1.091
    3    HB2  MET   1           2HB      MET   1   4.711  -3.759  -1.384
    4    HB3  MET   1           3HB      MET   1   4.729  -2.425  -2.530
    5    HG2  MET   1           2HG      MET   1   6.294  -1.775  -0.971
    6    HG3  MET   1           3HG      MET   1   4.845  -0.926  -0.439
    7    HE1  MET   1           3HE      MET   1   6.118  -1.454   2.999
    8    HE2  MET   1           1HE      MET   1   5.986  -0.410   1.584
    9    HE3  MET   1           2HE      MET   1   4.530  -0.945   2.423
  Start of MODEL   12
    1    H1   MET   1           H        MET   1   4.383  -1.587  -1.012
    2    HA   MET   1           HA       MET   1   2.167  -0.891  -0.311
    3    HB2  MET   1           2HB      MET   1   3.556   0.694  -1.725
    4    HB3  MET   1           3HB      MET   1   2.588   0.179  -3.100
    5    HG2  MET   1           2HG      MET   1   1.665   2.207  -2.314
    6    HG3  MET   1           3HG      MET   1   0.561   0.918  -1.843
    7    HE1  MET   1           3HE      MET   1   3.065   3.727   0.544
    8    HE2  MET   1           1HE      MET   1   2.642   3.675  -1.167
    9    HE3  MET   1           2HE      MET   1   1.469   4.260   0.013
  Start of MODEL   13
    1    H1   MET   1           H        MET   1   4.246  -3.508   0.926
    2    HA   MET   1           HA       MET   1   2.282  -1.446   1.445
    3    HB2  MET   1           2HB      MET   1   4.601  -0.977  -0.434
    4    HB3  MET   1           3HB      MET   1   3.153   0.019  -0.381
    5    HG2  MET   1           2HG      MET   1   3.743   0.296   2.127
    6    HG3  MET   1           3HG      MET   1   5.347  -0.235   1.624
    7    HE1  MET   1           3HE      MET   1   6.291   2.215   2.588
    8    HE2  MET   1           1HE      MET   1   7.066   1.347   1.263
    9    HE3  MET   1           2HE      MET   1   6.838   3.093   1.159
  Start of MODEL   14
    1    H1   MET   1           H        MET   1   3.678  -6.420  -2.187
    2    HA   MET   1           HA       MET   1   2.364  -3.887  -1.576
    3    HB2  MET   1           2HB      MET   1   4.858  -4.056  -1.673
    4    HB3  MET   1           3HB      MET   1   4.723  -4.402  -3.392
    5    HG2  MET   1           2HG      MET   1   3.573  -2.210  -3.669
    6    HG3  MET   1           3HG      MET   1   3.933  -1.870  -1.978
    7    HE1  MET   1           3HE      MET   1   5.372  -2.773  -5.433
    8    HE2  MET   1           1HE      MET   1   7.090  -2.399  -5.292
    9    HE3  MET   1           2HE      MET   1   6.423  -3.807  -4.465
  Start of MODEL   15
    1    H1   MET   1           H        MET   1   4.274  -1.472  -0.114
    2    HA   MET   1           HA       MET   1   2.013  -0.663   0.254
    3    HB2  MET   1           2HB      MET   1   3.634   0.828  -0.974
    4    HB3  MET   1           3HB      MET   1   2.910   0.269  -2.475
    5    HG2  MET   1           2HG      MET   1   1.697   2.152  -2.188
    6    HG3  MET   1           3HG      MET   1   0.692   1.045  -1.257
    7    HE1  MET   1           3HE      MET   1   0.744   4.116  -1.258
    8    HE2  MET   1           1HE      MET   1  -0.285   3.571   0.067
    9    HE3  MET   1           2HE      MET   1   0.983   4.760   0.367
  Start of MODEL   16
    1    H1   MET   1           H        MET   1   3.167  -0.966  -0.764
    2    HA   MET   1           HA       MET   1   4.052  -3.071  -2.044
    3    HB2  MET   1           2HB      MET   1   1.985  -3.420   0.132
    4    HB3  MET   1           3HB      MET   1   3.253  -4.557  -0.302
    5    HG2  MET   1           2HG      MET   1   4.833  -2.555   0.258
    6    HG3  MET   1           3HG      MET   1   3.442  -1.980   1.174
    7    HE1  MET   1           3HE      MET   1   6.480  -3.973   1.025
    8    HE2  MET   1           1HE      MET   1   6.382  -5.218   2.270
    9    HE3  MET   1           2HE      MET   1   5.570  -5.454   0.723
  Start of MODEL   17
    1    H1   MET   1           H        MET   1   2.724   1.037  -0.227
    2    HA   MET   1           HA       MET   1   2.439  -1.409   1.223
    3    HB2  MET   1           2HB      MET   1   1.640   0.587   2.261
    4    HB3  MET   1           3HB      MET   1   0.641   0.988   0.871
    5    HG2  MET   1           2HG      MET   1  -0.760  -0.972   1.331
    6    HG3  MET   1           3HG      MET   1   0.225  -1.325   2.749
    7    HE1  MET   1           3HE      MET   1  -3.163  -0.072   4.260
    8    HE2  MET   1           1HE      MET   1  -2.705  -1.268   3.047
    9    HE3  MET   1           2HE      MET   1  -1.833  -1.188   4.578
  Start of MODEL   18
    1    H1   MET   1           H        MET   1   2.439  -4.443  -1.016
    2    HA   MET   1           HA       MET   1   2.938  -2.811  -2.955
    3    HB2  MET   1           2HB      MET   1   3.461  -5.777  -3.180
    4    HB3  MET   1           3HB      MET   1   4.189  -4.579  -4.242
    5    HG2  MET   1           2HG      MET   1   4.491  -4.567  -1.251
    6    HG3  MET   1           3HG      MET   1   5.630  -5.334  -2.355
    7    HE1  MET   1           3HE      MET   1   7.848  -3.703  -1.620
    8    HE2  MET   1           1HE      MET   1   7.424  -2.103  -1.008
    9    HE3  MET   1           2HE      MET   1   6.644  -3.537  -0.341
  Start of MODEL   19
    1    H1   MET   1           H        MET   1   3.740  -0.034  -1.571
    2    HA   MET   1           HA       MET   1   1.273   0.882  -1.138
    3    HB2  MET   1           2HB      MET   1   2.910   0.953  -3.651
    4    HB3  MET   1           3HB      MET   1   1.320   1.704  -3.611
    5    HG2  MET   1           2HG      MET   1   3.402   2.355  -1.561
    6    HG3  MET   1           3HG      MET   1   3.368   3.158  -3.130
    7    HE1  MET   1           3HE      MET   1   2.853   5.614  -1.009
    8    HE2  MET   1           1HE      MET   1   3.124   5.276  -2.719
    9    HE3  MET   1           2HE      MET   1   1.668   6.130  -2.210
  Start of MODEL   20
    1    H1   MET   1           H        MET   1   2.656  -4.362   1.657
    2    HA   MET   1           HA       MET   1   1.982  -1.500   1.457
    3    HB2  MET   1           2HB      MET   1   4.505  -2.866   0.507
    4    HB3  MET   1           3HB      MET   1   4.155  -1.146   0.406
    5    HG2  MET   1           2HG      MET   1   3.863  -1.437   3.023
    6    HG3  MET   1           3HG      MET   1   4.953  -2.791   2.735
    7    HE1  MET   1           3HE      MET   1   7.208  -2.754   2.481
    8    HE2  MET   1           1HE      MET   1   8.285  -1.363   2.601
    9    HE3  MET   1           2HE      MET   1   7.295  -1.833   3.983