*HEADER    METAL BINDING PROTEIN                   14-JAN-02   1KSM              
*TITLE     AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CABP, CALBINDIN D9K;                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    LANTHANIDE IONS, CALCIUM-BINDING PROTEIN, PARAMAGNETIC NMR,           
*KEYWDS   2 PSEUDOCONTACT SHIFTS, RESIDUAL DIPOLAR COUPLINGS                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    I.BERTINI, A.DONAIRE, C.LUCHINAT, M.PICCIOLI, L.POGGI,                
*AUTHOR   2 G.PARIGI, B.JIMENEZ                                                  
*REVDAT   1   23-JAN-02 1KSM    0                                                
#
1D NOEs as upper limit constraints

 54 ASP-
         HA     54 ASP- HB2     4.00
         HA     54 ASP- HB3     4.00
         HA     54 ASP- HN      4.00
         HA     55 LYS+ HN      3.50
         HA     61 VAL  QG2     6.00
 56 ASN
         HD22   56 ASN  HD21    3.50
         HD22   56 ASN  HA      5.00
 58 ASP-                            
         HN     59 GLY  HN      5.00
         HN     58 ASP- HA      3.50 
         HN     57 GLY  HN      4.00
         HN     58 ASP- HB2     4.00
 59 GLY
         HN     59 GLY  HA1     6.00
         HN     59 GLY  HA2     4.00
         HN     57 GLY  HN      5.10
 60 GLU-
         HN     59 GLY  HN      4.00
         HN     59 GLY  HA1     6.00
         HN     59 GLY  HA2     4.00
         HN     60 GLU- HA      4.00
         HN     60 GLU- HB2     4.00
         HN     60 GLU- HB3     4.00
         HN     61 VAL  HN      6.00
 61 VAL
         HA     61 VAL  HN      4.00
         HA     61 VAL  HB      5.00
         HA     61 VAL  QG1     4.50
         HA     61 VAL  QG1     4.50
         HA     62 SER  HN      6.00
         HA     65 GLU- HB2     5.00
         HA     65 GLU- HB3     5.00
 62 SER
         HG     65 GLU- HG2     5.00
         HG     65 GLU- HG3     5.00
#
Hydrogen bonds as upper limit constraints

  6 LEU
         HN      3 PRO  O       2.20
         N       3 PRO  O       3.30
  9 ILE
         HN      5 GLU  O       2.20
         N       5 GLU  O       3.30
 10 PHE
         HN      6 LEU  O       2.20
         N       6 LEU  O       3.30
 13 TYR 
         HN     10 PHE  O       2.20
         N      10 PHE  O       3.30
 14 ALA
         HN     10 PHE  O       2.20
         N      10 PHE  O       3.30
 15 ALA
         HN     11 GLU  O       2.20
         N      11 GLU  O       3.30
 17 GLU 
         HN     27 GLU  OE2     2.20
         N      27 GLU  OE2     3.30
 21 ASN
         HN     19 ASP  OD1     2.20
         N      19 ASP  OD1     3.30
 28 LEU 
         HN     24 SER  O       2.20
         N      24 SER  O       3.30
 32 LEU 
         HN     28 LEU  O       2.20
         N      28 LEU  O       3.30
 35 GLU
         HN     31 LEU  O       2.20
         N      31 LEU  O       3.30
 41 LYS
         HN     38 SER  O       2.20
         N      38 SER  O       3.30
 49 LEU  
         HN     45 THR  O       2.20
         N      45 THR  O       3.30
 53 LEU
         HN     49 LEU  O       2.20
         N      49 LEU  O       3.30
 75 GLN
         HN     71 LYS  O       2.20
         N      71 LYS  O       3.30
#
Hydrogen bonds as lower limit constraints

  6 LEU
         N       3 PRO  O       2.60
  9 ILE
         N       5 GLU  O       2.60
 10 PHE
         N       6 LEU  O       2.60
 13 TYR 
         N      10 PHE  O       2.60
 14 ALA
         N      10 PHE  O       2.60
 15 ALA
         N      11 GLU  O       2.60
 17 GLU 
         N      27 GLU  OE2     2.60
 21 ASN
         N      19 ASP  OD1     2.60
 28 LEU 
         N      24 SER  O       2.60
 32 LEU 
         N      28 LEU  O       2.60
 35 GLU
         N      31 LEU  O       2.60
 41 LYS
         N      38 SER  O       2.60
 49 LEU  
         N      45 THR  O       2.60
 53 LEU
         N      49 LEU  O       2.60
 75 GLN
         N      71 LYS  O       2.60
#
Metal-to-ligand distances as upper limit constraints

105 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
115 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
125 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
135 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
145 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
155 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
165 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
175 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
185 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
195 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
205 LTNS
         ME     54 ASP- OD1     3.50  #5.00E+00
         ME     56 ASN  OD1     3.50  #5.00E+00
         ME     58 ASP- OD1     3.50  #5.00E+00
         ME     60 GLU- O       3.50  #5.00E+00
         ME     65 GLU- OE1     3.50  #5.00E+00
#
Metal-to-ligand distances as lower limit constraints

105 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
115 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
125 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
135 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
145 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
155 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
165 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
175 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
185 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
195 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
205 LTNS
         ME     54 ASP- OD1     2.15  5.00E+00
         ME     56 ASN  OD1     2.15  5.00E+00
         ME     58 ASP- OD1     2.15  5.00E+00
         ME     60 GLU- O       2.15  5.00E+00
         ME     65 GLU- OE1     2.15  5.00E+00
         ME     65 GLU- OE2     2.15  5.00E+00
#
NOESY as upper limit constraints

  1 LYS+ 
         HN      1 LYS+ HA      5.60  #     2     1115.0  e   1ceaug     2
         HN      1 LYS+ HB2     7.00  #   w 2      267.0  e   1ceaug  1384
         HN      1 LYS+ HB3     7.00  #   w 2         .0  e   1ceaug  1001
         HN      1 LYS+ QG      6.70  # m   1     1221.5*2e   1ceaug  2689
         HN      1 LYS+ QD      7.60  # m   1      477.5*2e   1ceaug  1385
         HN      2 SER  HN      7.00  #   w 2      229.0  e   1ceaug  1197
         HA      1 LYS+ HB2     3.20 <#     2    31560.0  e   1ceaug  1380
         HA      1 LYS+ HB3     4.10 >#     2     7270.0  e   1ceaug  1002
         HA      1 LYS+ QG      5.60  # i   1     2620.0*2e   1ceaug  1382
         HA      1 LYS+ QD      5.80  # m   1     3510.5*2e   1ceaug  1381
         HB2     1 LYS+ QG      4.90  # m   1    11945.0*2e   1ceaug  4946
         HB2     1 LYS+ QD      4.70  # m   1    17465.0*2e   1ceaug  4947
         HB3     1 LYS+ QG      4.50  # m   1    21280.0*2e   1ceaug  2683
         HB3     1 LYS+ QD      4.40  # m   1    26370.0*2e   1ceaug  2684
         QG      1 LYS+ QD      5.00  # mm  1    56175.0*4e   1ceaug  2685
         QD      1 LYS+ QE      7.30  # mm  1     1824.8*4e   1ceaug  1383
         QD      2 SER  HN      8.00  # m w 5     1073.5*2e   1ceaug  1484
  2 SER  
         HN      2 SER  HA      3.50  #     2    20620.0  e   1ceaug     6
         HN      2 SER  HB2     3.20  #     2    31050.0  e   1ceaug  1004
         HN      2 SER  HB3     3.70  #     2    12900.0  e   1ceaug  1003
         HN      3 PRO  QD      8.00  # m w 5      860.5*2e   1ceaug  1198
         HN      4 GLU- HN      7.00  #     3     1319.0  e   1ceaug  3873
         HN      5 GLU- HN      5.20  #     3     4506.0  e   1ceaug  1388
         HN      5 GLU- HA      7.00  #   w 3      827.0  e   1ceaug  4952
         HN      5 GLU- HB2     4.80  #     3     6267.0  e   1ceaug  1390
         HN      5 GLU- HB3     4.20  #     3    10290.0  e   1ceaug  1389
         HN      5 GLU- HG2     7.00 >#   w 5     1503.0  e   1ceaug  3880
         HN      5 GLU- HG3     4.60 <#     5    15300.0  e   1ceaug  3877
         HN      6 LEU  HN      7.00  #   w 3      976.0  e   1ceaug  3882
         HA      2 SER  HB2     3.30 <#     2    25290.0  e   1ceaug  1771
         HA      2 SER  HB3     4.10 >#     2     7709.0  e   1ceaug  1773
         HA      3 PRO  QD      5.00  # m   5    27055.0*2e   1ceaug  2249
         HA      4 GLU- HN      5.30  #     3     4039.0  e   1ceaug  3872
         HB2     4 GLU- HN      6.60 >#     3     1670.0  e   1ceaug  3874
         HB2     5 GLU- HN      6.80  #     3     1496.0  e   1ceaug  4953
         HB3     3 PRO  QD      5.40  # m   5    18110.0*2e   1ceaug  2255
         HB3     4 GLU- HN      5.10 <#     3     4909.0  e   1ceaug  1395
         HB3     5 GLU- HN      6.80  #     3     1561.0  e   1ceaug  1397
  3 PRO  
         HA      3 PRO  HB2     3.40 >#     2    22610.0  e   1ceaug     9
         HA      3 PRO  HB3     2.80 <#     2    80740.0  e   1ceaug    11
         HA      3 PRO  HG2     4.20  #     1     8082.0  e   1ceaug  1775
         HA      3 PRO  HG3     4.40  #     1     5881.0  e   1ceaug  2693
         HA      3 PRO  QD      5.90  # m   1     2946.5*2e   1ceaug  3868
         HA      4 GLU- HN      4.00  #     2     8176.0  e   1ceaug    13
         HA      5 GLU- HN      6.10  #     3     2365.0  e   1ceaug  3883
         HA      6 LEU  HN      4.90  #     3     5681.0  e   1ceaug  3884
         HA      6 LEU  HB2     4.30  #     3     9628.0  e   1ceaug  3885
         HA      6 LEU  QD1     7.00 <#     5M   11360.0  e   1ceaug  3888
         HA      6 LEU  QD2     8.00 >#     5M    1195.0  e   1ceaug  3887
         HA      7 LYS+ HN      5.10  #     3     4667.0  e   1ceaug  4858
         HB2     3 PRO  HG3     3.10  #     1    49980.0  e   1ceaug  2704
         HB2     3 PRO  QD      4.80 <# m   1    15015.0*2e   1ceaug  2697
         HB2     4 GLU- HN      3.50 <#     2    19020.0  e   1ceaug    17
         HB2     6 LEU  HB2     7.00  #   w 5         .0  e   1ceaug  5198
         HB2     6 LEU  HB3     6.80  #     5     3325.0  e   1ceaug  3892
         HB2     6 LEU  QD1     7.70  #     5M    7923.0  e   1ceaug  3895
         HB2     6 LEU  QD2     8.00  #     5M    2475.0  e   1ceaug  3894
         HB3     3 PRO  HG2     3.50  #     1    24760.0  e   1ceaug  2701
         HB3     3 PRO  HG3     3.70  #     1    15820.0  e   1ceaug  2700
         HB3     3 PRO  QD      5.50 ># m   1     5090.0*2e   1ceaug  2699
         HB3     4 GLU- HN      4.40 >#     2     4825.0  e   1ceaug    19
         HB3     6 LEU  HB3     7.00  #   w 5      718.0  e   1ceaug  3891
         HB3     6 LEU  HG      7.00  #   w 5     1900.0  e   1ceaug  3890
         HG2     3 PRO  QD      4.50  # m   1    22100.0*2e   1ceaug  2698
         HG2     4 GLU- HN      5.40  #     5     8435.0  e   1ceaug  1396
         HG3     3 PRO  QD      4.20  # m   1    40395.0*2e   1ceaug  1776
         HG3     4 GLU- HN      6.00  #     5     5480.0  e   1ceaug  1200
         QD      4 GLU- HN      6.40  # m   5     8055.0*2e   1ceaug  1199
  4 GLU- 
         HN      4 GLU- HA      3.10  #     2    40580.0  e   1ceaug    22
         HN      4 GLU- HB2     3.00  #     2    48620.0  e   1ceaug    25
         HN      4 GLU- HB3     3.30  #     2    26600.0  e   1ceaug    24
         HN      4 GLU- HG2     3.90  #     1    11560.0  e   1ceaug  2715
         HN      4 GLU- HG3     4.20  #     1     7131.0  e   1ceaug  1009
         HN      5 GLU- HN      3.20  #     2    31430.0  e   1ceaug  1201
         HN      6 LEU  HN      5.40  #     3     3716.0  e   1ceaug  3898
         HN      7 LYS+ HN      7.00  #   w 3     1041.0  e   1ceaug  3909
         HA      4 GLU- HB2     3.10  #     2    41850.0  e   1ceaug    29
         HA      4 GLU- HB3     3.20  #     2    35660.0  e   1ceaug    27
         HA      4 GLU- HG2     3.10  #     1    45930.0  e   1ceaug  2714
         HA      4 GLU- HG3     3.60  #     1    20510.0  e   1ceaug  2710
         HA      5 GLU- HN      3.70  #     2    14750.0  e   1ceaug    31
         HA      6 LEU  HN      6.70  #     3     1567.0  e   1ceaug  3900
         HA      7 LYS+ HN      3.90  #     3    14360.0  e   1ceaug  1722
         HA      7 LYS+ HB2     3.50  #     3    23000.0  e   1ceaug  1724
         HA      7 LYS+ HB3     3.90  #     3    14390.0  e   1ceaug  1723
         HA      7 LYS+ HG3     5.30  #     5     8708.0  e   1ceaug  3913
         HA      7 LYS+ QD      7.70  # m   5     3409.0*2e   1ceaug  3915
         HA      8 GLY  HN      4.60  #     3     7200.0  e   1ceaug  1725
         HB2     4 GLU- HG2     3.50  #     1    22910.0  e   1ceaug  1780
         HB2     4 GLU- HG3     3.40  #     1    26160.0  e   1ceaug  2708
         HB2     5 GLU- HN      3.80  #     2    11550.0  e   1ceaug  3870
         HB3     4 GLU- HG2     3.20  #     1    43390.0  e   1ceaug  2712
         HB3     4 GLU- HG3     3.40  #     1    28520.0  e   1ceaug  2709
         HB3     5 GLU- HN      3.50  #     2    19710.0  e   1ceaug  1538
  5 GLU- 
         HN      5 GLU- HA      3.40  #     2    24600.0  e   1ceaug    38
         HN      5 GLU- HB2     3.40  #     2    24700.0  e   1ceaug  1013
         HN      5 GLU- HB3     3.00  #     2    44620.0  e   1ceaug  1010
         HN      5 GLU- HG2     3.90  #     1    12090.0  e   1ceaug  1011
         HN      5 GLU- HG3     3.70  #     1    17550.0  e   1ceaug  1012
         HN      6 LEU  HN      3.10  #     2    36540.0  e   1ceaug  1202
         HN      7 LYS+ HN      4.30  #     3     9379.0  e   1ceaug  5131
         HN      8 GLY  HN      5.40  #     3     3717.0  e   1ceaug  3922
         HA      5 GLU- HB2     3.30  #     2    27690.0  e   1ceaug  2734
         HA      5 GLU- HB3     3.80  #     2    11140.0  e   1ceaug  2723
         HA      5 GLU- HG2     4.30 >#     1     6648.0  e   1ceaug  2721
         HA      5 GLU- HG3     3.30 <#     1    34170.0  e   1ceaug  3866
         HA      6 LEU  HN      4.10  #     2     7535.0  e   1ceaug    41
         HA      8 GLY  HN      4.70  #     3     6937.0  e   1ceaug  1726
         HA      8 GLY  HA2     5.90  #     3     2754.0  e   1ceaug  5124
         HA      9 ILE  HN      7.00  #   w 3     1182.0  e   1ceaug  3940
         HB2     5 GLU- HG2     3.20  #     1    37100.0  e   1ceaug  2733
         HB2     5 GLU- HG3     3.30  #     1    32970.0  e   1ceaug  2732
         HB2     6 LEU  HN      4.00  #     2     9154.0  e   1ceaug  4044
         HB2     7 LYS+ HN      7.00  #   w 3      843.0  e   1ceaug  5134
         HB3     5 GLU- HG2     3.30  #     1    35040.0  e   1ceaug  2728
         HB3     5 GLU- HG3     3.50  #     1    21630.0  e   1ceaug  2731
         HB3     6 LEU  HN      3.60  #     2    15030.0  e   1ceaug  1899
         HB3     6 LEU  HB2     6.60  #     5     3698.0  e   1ceaug  5199
         HG2     6 LEU  HN      6.90 >#     5     3043.0  e   1ceaug  4101
         HG3     6 LEU  HN      5.20 <#     5     9353.0  e   1ceaug  5313
  6 LEU  
         HN      6 LEU  HA      3.30  #     2    26380.0  e   1ceaug    44
         HN      6 LEU  HB2     3.00 <#     2    52500.0  e   1ceaug    48
         HN      6 LEU  HB3     3.60 >#     2    15110.0  e   1ceaug    46
         HN      6 LEU  HG      3.10  #     1    48360.0  e   1ceaug  1016
         HN      6 LEU  QD1     5.10  #     1M    5354.0  e   1ceaug  1857
         HN      6 LEU  QD2     4.90  #     1M    6897.0  e   1ceaug  1788
         HN      7 LYS+ HN      3.00  #     2    44980.0  e   1ceaug  1203
         HN      8 GLY  HN      5.00  #     3     5402.0  e   1ceaug  5118
         HN      9 ILE  HN      6.00  #     3     2438.0  e   1ceaug  3942
         HN      9 ILE  HB      6.20  #     3     2209.0  e   1ceaug  3941
         HA      6 LEU  HB2     3.60  #     2    16190.0  e   1ceaug    51
         HA      6 LEU  HB3     3.30  #     2    28560.0  e   1ceaug    49
         HA      6 LEU  HG      4.00  #     1     9719.0  e   1ceaug  1017
         HA      6 LEU  QD1     4.60 >#     1M    9647.0  e   1ceaug  1015
         HA      6 LEU  QD2     3.40 <#     1M   67200.0  e   1ceaug  1014
         HA      7 LYS+ HN      4.00  #     2     8330.0  e   1ceaug    53
         HA      7 LYS+ HA      5.70  #     2      964.0  e   1ceaug  5126
         HA      8 GLY  HN      5.40  #     3     3952.0  e   1ceaug  5120
         HA      9 ILE  HN      4.00  #     3    13200.0  e   1ceaug  1727
         HA      9 ILE  HB      3.90  #     3    13760.0  e   1ceaug  3947
         HA      9 ILE  QG2     8.00  #     5M    2310.0  e   1ceaug  3948
         HA      9 ILE  HG13    7.00  #   w 5     2152.0  e   1ceaug  3949
         HA     66 PHE  QE      9.00  # r w 5      663.0*2e   1ceaug  4022
         HB2     6 LEU  HG      3.10  #     1    49620.0  e   1ceaug  2743
         HB2     6 LEU  QD1     4.30  #     1M   14100.0  e   1ceaug  2750
         HB2     6 LEU  QD2     4.20  #     1M   16990.0  e   1ceaug  1787
         HB2     7 LYS+ HN      3.50  #     2    18820.0  e   1ceaug  5018
         HB2     7 LYS+ HB3     6.20  #     5     4777.0  e   1ceaug  5127
         HB2    66 PHE  QE      9.00 ># r w 5     1154.0*2e   1ceaug  4023
         HB3     6 LEU  HG      3.30  #     1    32860.0  e   1ceaug  2747
         HB3     6 LEU  QD1     3.40  #     1M   59970.0  e   1ceaug  1791
         HB3     6 LEU  QD2     3.60  #     1M   40680.0  e   1ceaug  1790
         HB3     7 LYS+ HN      3.90  #     2    10010.0  e   1ceaug  1512
         HB3     8 GLY  HN      7.00  #   w 3      714.0  e   1ceaug  5122
         HB3    66 PHE  QE      7.60 <# r   5     7000.0*2e   1ceaug  5102
         HB3    70 VAL  QG1     7.80  #     5M    7253.0  e   1ceaug  3951
         HG      6 LEU  QD1     3.40  #     1M   62450.0  e   1ceaug  1785
         HG      6 LEU  QD2     3.40  #     1M   56560.0  e   1ceaug  1789
         HG     66 PHE  QE      9.00  # r w 5     1960.0*2e   1ceaug  5101
         QD1     7 LYS+ HN      8.00  #     5M    2032.0  e   1ceaug  5012
         QD1    36 PHE  QD      9.80 <# r   5M    7475.0*2e   1ceaug  5269
         QD1    36 PHE  QE      8.60  # r   5M   14295.0*2e   1ceaug  5270
         QD1    66 PHE  QD     10.00  # r   5M    3616.5*2e   1ceaug  5097
         QD1    66 PHE  QE     10.00  # r   5M    5700.0*2e   1ceaug  4025
         QD1    73 ILE  QD1     9.00 <# m   5M    6593.0  e   1ceaug  1673
         QD2     7 LYS+ HN      8.00  #     5M        .0  e   1ceaug  5013
         QD2    36 PHE  QD     10.00 ># r   5M    2002.0*2e   1ceaug  5301
         QD2    36 PHE  QE      9.40  # r   5M    9065.0*2e   1ceaug  1566
         QD2    66 PHE  QE     10.00  # r   5M    5480.0*2e   1ceaug  5104
         QD2    73 ILE  QD1     9.00 ># m   5M    1598.0  e   1ceaug  1674
  7 LYS+ 
         HN      7 LYS+ HA      3.20  #     2    34220.0  e   1ceaug    60
         HN      7 LYS+ HB2     2.80  #     2    73110.0  e   1ceaug    61
         HN      7 LYS+ HB3     3.00  #     2    51180.0  e   1ceaug    64
         HN      7 LYS+ HG2     4.50  #     1     4955.0  e   1ceaug  3908
         HN      7 LYS+ HG3     5.20  #     1     2041.0  e   1ceaug  1018
         HN      7 LYS+ QD      6.00  # m   1     2571.5*2e   1ceaug  1020
         HN      8 GLY  HN      3.10  #     2    39380.0  e   1ceaug  3686
         HN      9 ILE  HN      4.60  #     3     7252.0  e   1ceaug  5020
         HN     63 PHE  QE      8.90  # r   5     3137.5*2e   1ceaug  4959
         HA      7 LYS+ HB2     2.90  #     2    61200.0  e   1ceaug    69
         HA      7 LYS+ HB3     3.20  #     2    35260.0  e   1ceaug    71
         HA      7 LYS+ HG2     3.70 <#     1    17190.0  e   1ceaug  2766
         HA      7 LYS+ HG3     4.50 >#     1     4941.0  e   1ceaug  3905
         HA      7 LYS+ QD      7.90  # m   1      372.5*2e   1ceaug  2753
         HA      8 GLY  HN      3.70  #     2    13310.0  e   1ceaug    73
         HA     10 PHE  HN      4.40  #     3     8547.0  e   1ceaug  1729
         HA     10 PHE  HB3     4.90  #     3     5899.0  e   1ceaug  3952
         HA     11 GLU- HN      4.90  #     3     5482.0  e   1ceaug  3954
         HA     63 PHE  QD      9.00  # r w 5     1758.5*2e   1ceaug  1969
         HA     63 PHE  QE      7.50  # r   5     7600.0*2e   1ceaug  4955
         HA     63 PHE  HZ      5.50  #     5     7548.0  e   1ceaug  1966
         HB2     7 LYS+ HG2     3.10  #     1    44570.0  e   1ceaug  2759
         HB2     7 LYS+ HG3     3.10  #     1    52160.0  e   1ceaug  2758
         HB2     7 LYS+ QD      4.50  # m   1    24305.0*2e   1ceaug  2771
         HB2     8 GLY  HN      3.50  #     2    20510.0  e   1ceaug  3920
         HB2    63 PHE  QE      8.10 <# r   5     4923.5*2e   1ceaug  4960
         HB2    63 PHE  HZ      5.20  #     5     9641.0  e   1ceaug  1930
         HB3     7 LYS+ HG2     3.50  #     1    21320.0  e   1ceaug  2756
         HB3     7 LYS+ HG3     3.30  #     1    30420.0  e   1ceaug  2755
         HB3     7 LYS+ QD      4.70  # m   1    15605.0*2e   1ceaug  2754
         HB3     8 GLY  HN      3.20  #     2    36230.0  e   1ceaug  3919
         HB3    63 PHE  QE      9.00 ># r w 5      104.0*2e   1ceaug  4961
         HG2     7 LYS+ QD      4.50  # m   1    21115.0*2e   1ceaug  2760
         HG2     7 LYS+ HE3     6.00  #     1      881.0  e   1ceaug  1793
         HG2     8 GLY  HN      7.00 >#   w 5      200.0  e   1ceaug  3917
         HG2     8 GLY  HA1     5.80  #     5     5992.0  e   1ceaug  5117
         HG2    63 PHE  QE      9.00  # r w 5     1228.5*2e   1ceaug  2283
         HG2    63 PHE  HZ      6.30  #     5     4539.0  e   1ceaug  1918
         HG3     7 LYS+ QD      4.40  # m   1    26475.0*2e   1ceaug  2770
         HG3     7 LYS+ HE2     6.00  #     1      887.0  e   1ceaug  3901
         HG3     7 LYS+ HE3     5.10  #     1     2257.0  e   1ceaug  3904
         HG3     8 GLY  HN      6.70 <#     5     3455.0  e   1ceaug  3918
         HG3    63 PHE  QE      9.00  # r w 5     2688.5*2e   1ceaug  2218
         QD      7 LYS+ HE2     4.40  # m   1    26460.0*2e   1ceaug  1022
         QD      7 LYS+ HE3     4.90  # m   1    11180.0*2e   1ceaug  3903
         QD     63 PHE  QE     10.00  # mrw 5      663.2*4e   1ceaug  4954
         QD     63 PHE  HZ      8.00  # m w 5      642.0*2e   1ceaug  1920
         HE2    63 PHE  QD      9.00  # r w 5     1079.5*2e   1ceaug  4962
         HE2    63 PHE  QE      9.00  # r w 5     2544.0*2e   1ceaug  4958
  8 GLY  
         HN      8 GLY  HA1     2.80  #     2    72240.0  e   1ceaug  3598
         HN      8 GLY  HA2     3.00  #     2    47160.0  e   1ceaug  1023
         HN      9 ILE  HN      3.00  #     2    48770.0  e   1ceaug  1206
         HA1     9 ILE  HN      3.70  #     2    14200.0  e   1ceaug  3936
         HA1    11 GLU- HN      4.70  #     3     6860.0  e   1ceaug  4046
         HA1    11 GLU- HB2     4.40  #     3     8715.0  e   1ceaug  4053
         HA1    11 GLU- HB3     5.30  #     3     4256.0  e   1ceaug  4050
         HA2     9 ILE  HN      3.90  #     2    10280.0  e   1ceaug  1205
         HA2    11 GLU- HN      4.40  #     3     8937.0  e   1ceaug  1731
         HA2    11 GLU- HB2     5.60  #     3     3418.0  e   1ceaug  4051
         HA2    11 GLU- HB3     7.00  #   w 3      597.0  e   1ceaug  4052
         HA2    12 LYS+ HN      5.60  #     3     3263.0  e   1ceaug  4055
  9 ILE  
         HN      9 ILE  HA      3.60  #     2    16510.0  e   1ceaug    77
         HN      9 ILE  HB      2.80  #     2    74170.0  e   1ceaug  2774
         HN      9 ILE  QG2     4.70  #     1M    8452.0  e   1ceaug  1025
         HN      9 ILE  HG12    4.20 >#     1     7183.0  e   1ceaug  3924
         HN      9 ILE  HG13    3.50 <#     1    24450.0  e   1ceaug  2778
         HN      9 ILE  QD1     4.70  #     1M    8880.0  e   1ceaug  2782
         HN     10 PHE  HN      3.50  #     2    18560.0  e   1ceaug  3616
         HN     11 GLU- HN      4.80  #     3     6429.0  e   1ceaug  4059
         HN     12 LYS+ HN      6.10  #     3     2331.0  e   1ceaug    80
         HN     12 LYS+ HB2     7.00  #   w 3      906.0  e   1ceaug  4062
         HN     12 LYS+ HB3     7.00  #   w 3     1042.0  e   1ceaug  4065
         HA      9 ILE  HB      3.10  #     2    40320.0  e   1ceaug    85
         HA      9 ILE  QG2     3.80  #     1M   33760.0  e   1ceaug  2789
         HA      9 ILE  HG12    3.60  #     1    18250.0  e   1ceaug  3925
         HA      9 ILE  HG13    3.70  #     1    15300.0  e   1ceaug  2785
         HA      9 ILE  QD1     4.40  #     1M   13210.0  e ! 1ceaug  2781
         HA     10 PHE  HN      4.50  #     2     4399.0  e   1ceaug  1207
         HA     12 LYS+ HN      5.10  #     3     5021.0  e   1ceaug  4061
         HA     12 LYS+ HB2     4.30 >#     3    10060.0  e   1ceaug  4066
         HA     12 LYS+ HB3     3.40 <#     3    26490.0  e   1ceaug  4072
         HA     12 LYS+ HG2     7.00  #   w 5      940.0  e   1ceaug  4070
         HA     12 LYS+ HG3     7.00  #   w 5      641.0  e   1ceaug  4069
         HA     12 LYS+ HD3     7.00  #   w 5     1417.0  e   1ceaug  4068
         HA     13 TYR  HN      5.20  #     3     4644.0  e   1ceaug  4074
         HA     13 TYR  QD      8.20  # r   5     4770.5*2e   1ceaug  4073
         HA     13 TYR  QE      9.00  # r w 5      914.0*2e   1ceaug  4076
         HB      9 ILE  QG2     3.80  #     1M   30740.0  e   1ceaug  2790
         HB      9 ILE  HG12    3.80 >#     1    12890.0  e   1ceaug  3926
         HB      9 ILE  HG13    2.80 <#     1    83430.0  e   1ceaug  2786
         HB      9 ILE  QD1     3.50  #     1M   55030.0  e   1ceaug  1718
         HB     10 PHE  HN      3.40  #     2    24610.0  e   1ceaug  3615
         QG2     9 ILE  HG12    3.30 <#   s 1M   76640.0  e   1ceaug  3934
         QG2     9 ILE  HG13    4.50 >#     1M   11200.0  e   1ceaug  2787
         QG2     9 ILE  QD1     4.50  # m   1M   48120.0  e   1ceaug  2780
         QG2    10 PHE  HN      6.70  #     5M   13780.0  e   1ceaug  1496
         QG2    13 TYR  HN      7.30  #     5M    9552.0  e   1ceaug  1529
         QG2    13 TYR  QD      7.90  # r   5M   22270.0*2e   1ceaug  1921
         QG2    13 TYR  QE      8.30  # r   5M   17290.0*2e   1ceaug  1592
         QG2    36 PHE  QD     10.00  # r   5M    3879.0*2e   1ceaug  4082
         QG2    36 PHE  QE     10.00  # r   5M    2876.5*2e   1ceaug  4084
         HG12    9 ILE  QD1     3.40  #     1M   60780.0  e   1ceaug  3935
         HG13    9 ILE  QD1     3.30  #   s 1M   90630.0  e   1ceaug  2779
         QD1    10 PHE  HN      8.00  #     5M    2038.0  e   1ceaug  5215
         QD1    13 TYR  QE     10.00  # r   5M    2983.5*2e   1ceaug  1591
         QD1    35 GLU- HB3     5.80  #     5M   24830.0  e   1ceaug  4079
         QD1    36 PHE  QD     10.00  # r   5M    2497.0*2e   1ceaug  4083
         QD1    36 PHE  QE     10.00  # r   5M    3636.5*2e   1ceaug  4085
 10 PHE  
         HN     10 PHE  HA      3.10  #     2    43770.0  e   1ceaug  1028
         HN     10 PHE  HB2     3.00  #     2    48440.0  e   1ceaug  1728
         HN     10 PHE  HB3     3.20  #     2    33110.0  e   1ceaug  1029
         HN     10 PHE  QD      9.00  # r w 1      105.5*2e   1ceaug  1460
         HN     11 GLU- HN      3.20  #     2    31570.0  e   1ceaug  5138
         HN     12 LYS+ HN      4.50  #     3     7898.0  e   1ceaug  4088
         HN     31 LEU  QD1     8.00  #     5M     796.0  e   1ceaug  5223
         HN     66 PHE  QE      9.00  # r w 5     1770.0*2e   1ceaug  5145
         HA     10 PHE  HB2     2.80  #     2    71070.0  e   1ceaug    87
         HA     10 PHE  HB3     3.00  #     2    46070.0  e   1ceaug    90
         HA     10 PHE  QD      4.80  # m   1    14170.0*2e   1ceaug  2799
         HA     11 GLU- HN      3.90  #     2     9391.0  e   1ceaug  3621
         HA     12 LYS+ HN      7.00  #   w 3         .0  e   1ceaug  4090
         HA     13 TYR  HN      6.80  #     3     1554.0  e   1ceaug  1533
         HA     13 TYR  HB2     7.00 >#   w 3      473.0  e   1ceaug  4092
         HA     13 TYR  HB3     4.50 <#     3     7680.0  e   1ceaug  4093
         HA     14 ALA  HN      7.00  #   w 3      637.0  e   1ceaug  1734
         HA     14 ALA  QB      6.10  #     3M     454.0  e   1ceaug  4095
         HA     23 LEU  QD1     8.00  #     5M    3954.0  e   1ceaug  4927
         HA     23 LEU  QD2     8.00  #     5M    3844.0  e   1ceaug  1735
         HA     31 LEU  QD1     5.70 <#     5M   27020.0  e   1ceaug  4097
         HA     31 LEU  QD2     7.40 >#     5M    9013.0  e   1ceaug  4096
         HA     66 PHE  QE      9.00  # r   5     2899.0*2e   1ceaug  4020
         HB2    10 PHE  QD      5.50  # r   1    22040.0*2e   1ceaug  2801
         HB2    10 PHE  QE      6.40 <# r   1     6010.0*2e   1ceaug  2802
         HB2    11 GLU- HN      4.10  #     2     6986.0  e   1ceaug  3617
         HB2    63 PHE  QD      8.50  # r   5     3836.5*2e   1ceaug  2305
         HB2    63 PHE  QE      8.40  # r   5     4074.0*2e   1ceaug  1953
         HB2    66 PHE  QD      7.60 <# r   5     7110.0*2e   1ceaug  1571
         HB2    66 PHE  QE      8.00 <# r   5     5360.0*2e   1ceaug  4021
         HB3    10 PHE  QD      5.90  # r   1    11195.0*2e   1ceaug  2800
         HB3    10 PHE  QE      7.40 ># r   1     1632.5*2e   1ceaug  2803
         HB3    11 GLU- HN      3.60  #     2    16550.0  e   1ceaug  3620
         HB3    63 PHE  QD      7.80  # r   5     6220.0*2e   1ceaug  2307
         HB3    63 PHE  QE      8.00  # r   5     5495.0*2e   1ceaug  5111
         HB3    66 PHE  QD      9.00 ># r w 5     1603.0*2e   1ceaug  4015
         HB3    66 PHE  QE      9.00 ># r w 5     1832.0*2e   1ceaug  4019
         QD     10 PHE  QE      7.70  # rr  1    15500.0*4e   1ceaug  2797
         QD     10 PHE  HZ      6.80  # r   1     3492.0*2e   1ceaug  1031
         QD     11 GLU- HN      8.80  # r   5     3297.0*2e   1ceaug  1459
         QD     11 GLU- HA      9.00  # r w 5     2451.0*2e   1ceaug  5143
         QD     14 ALA  QB     10.00  # r   5M    1976.0*2e   1ceaug  4990
         QD     15 ALA  HN      8.80  # r   5     3159.0*2e   1ceaug  4993
         QD     23 LEU  QD1    10.00  # r   5M    4358.0*2e   1ceaug  4929
         QD     23 LEU  QD2    10.00  # r   5M    4847.5*2e   1ceaug  4928
         QD     63 PHE  QD     10.10  # rr  5     4885.0*4e   1ceaug  4032
         QD     66 PHE  HN      9.00  # r w 5      454.5*2e   1ceaug  4861
         QD     66 PHE  HB2     8.90  # r   5     3067.5*2e   1ceaug  4013
         QD     66 PHE  HB3     9.00  # r w 5     2128.0*2e   1ceaug  4012
         QD     66 PHE  QE     11.00  # rrw 5     1337.8*4e   1ceaug  4018
         QE     10 PHE  HZ      4.90  # r   1    65950.0*2e   1ceaug  1032
         QE     14 ALA  HN      9.00  # r w 5      354.5*2e   1ceaug  4992
         QE     14 ALA  QB      9.30  # r   5M    9750.0*2e   1ceaug  4991
         QE     23 LEU  HB2     8.90  # r   5     3116.0*2e   1ceaug  5294
         QE     23 LEU  HB3     9.00  # r w 5     1620.5*2e   1ceaug  5234
         QE     61 VAL  HB      9.00  # r w 5      223.0*2e   1ceaug  4885
         QE     61 VAL  QG1     9.20  # r   5M    9980.0*2e   1ceaug  4887
         QE     63 PHE  HN      7.50  # r   5     7365.0*2e   1ceaug  1434
         QE     63 PHE  HA      7.40  # r   5     7980.0*2e   1ceaug  1955
         QE     63 PHE  HB2     9.00  # r w 5      423.0*2e   1ceaug  2332
         QE     63 PHE  QD      8.90  # rr  5    12315.0*4e   1ceaug  4033
         HZ     14 ALA  QB      7.70  #     5M    7940.0  e   1ceaug  5229
         HZ     22 GLN  HN      6.80  #     5     3313.0  e   1ceaug  2118
         HZ     22 GLN  HA      4.40  #     5    18810.0  e   1ceaug  5010
         HZ     23 LEU  HN      6.00  #     5     5538.0  e   1ceaug  2123
         HZ     23 LEU  HB2     6.40 <#     5     4117.0  e   1ceaug  5295
         HZ     23 LEU  HB3     7.00 >#   w 5     1611.0  e   1ceaug  5235
         HZ     23 LEU  HG      4.70  #     5    13800.0  e   1ceaug  2121
         HZ     23 LEU  QD1     8.00 >#     5M     829.0  e   1ceaug  2120
         HZ     23 LEU  QD2     8.00 <#     5M    2451.0  e   1ceaug  2119
         HZ     62 SER  HA      7.00  #   w 5     1687.0  e   1ceaug  1891
         HZ     62 SER  HB2     6.20  #     5     4654.0  e   1ceaug  2125
         HZ     63 PHE  QD      6.90  # r   5    11665.0*2e   1ceaug  4034
 11 GLU- 
         HN     11 GLU- HA      3.40  #     2    22500.0  e   1ceaug    94
         HN     11 GLU- HB2     2.80 <#     2    73450.0  e   1ceaug    98
         HN     11 GLU- HB3     3.30 >#     2    26160.0  e   1ceaug    96
         HN     11 GLU- HG2     4.10  #     1     9436.0  e   1ceaug  1033
         HN     11 GLU- HG3     3.90  #     1    11490.0  e   1ceaug  1034
         HN     12 LYS+ HN      3.20  #     2    35920.0  e   1ceaug   100
         HN     13 TYR  HN      7.00  #   w 3      846.0  e   1ceaug   102
         HN     14 ALA  HN      6.00  #     3     2513.0  e   1ceaug  4102
         HN     14 ALA  QB      8.00  #     3M        .0  e   1ceaug  4104
         HA     11 GLU- HB2     3.40  #     2    22110.0  e   1ceaug   105
         HA     11 GLU- HB3     3.00  #     2    47990.0  e   1ceaug   103
         HA     11 GLU- HG2     3.10 <#     1    44850.0  e   1ceaug  2812
         HA     11 GLU- HG3     3.80 >#     1    14760.0  e   1ceaug  1796
         HA     12 LYS+ HN      4.10  #     2     7796.0  e   1ceaug  1216
         HA     14 ALA  HN      4.40  #     3     8642.0  e   1ceaug  1736
         HA     14 ALA  QB      3.30  #   s 3M   42190.0  e   1ceaug  1738
         HA     15 ALA  HN      7.00  #   w 3      422.0  e   1ceaug  2150
         HB2    11 GLU- HG2     3.30  #     1    33940.0  e   1ceaug  2807
         HB2    11 GLU- HG3     3.40  #     1    26800.0  e   1ceaug  2808
         HB2    12 LYS+ HN      4.10  #     2     7657.0  e   1ceaug   111
         HB3    11 GLU- HG2     3.00  #     1    58180.0  e   1ceaug  2809
         HB3    11 GLU- HG3     4.30  #     1     6673.0  e   1ceaug  2811
         HB3    12 LYS+ HN      4.00  #     2     8055.0  e   1ceaug   110
         HG2    12 LYS+ HN      7.00  #   w 5     2418.0  e   1ceaug  3973
         HG3    12 LYS+ HN      7.00  #   w 5     1542.0  e   1ceaug  3974
 12 LYS+ 
         HN     12 LYS+ HA      3.10  #     2    38340.0  e   1ceaug  1035
         HN     12 LYS+ HB2     3.20  #     2    32330.0  e   1ceaug  1037
         HN     12 LYS+ HB3     3.20  #     2    32750.0  e   1ceaug  1036
         HN     12 LYS+ HG2     5.10  #     1     2286.0  e   1ceaug  1039
         HN     12 LYS+ HG3     5.40  #     1     1678.0  e   1ceaug  1038
         HN     12 LYS+ HD2     6.50  #     1      560.0  e   1ceaug  2816
         HN     12 LYS+ HD3     5.60  #     1     1343.0  e   1ceaug  2817
         HN     13 TYR  HN      2.90  #     2    54380.0  e   1ceaug   114
         HN     13 TYR  HA      5.50  #     2     1190.0  e   1ceaug  5249
         HN     13 TYR  QD      9.00  # r w 5     1268.0*2e   1ceaug  4907
         HN     14 ALA  HN      5.10  #     3     4896.0  e   1ceaug  4107
         HA     12 LYS+ HB2     3.50  #     2    19110.0  e   1ceaug  3625
         HA     12 LYS+ HB3     3.40  #     2    20990.0  e   1ceaug  2827
         HA     12 LYS+ HG2     4.10 >#     1     8824.0  e   1ceaug  3955
         HA     12 LYS+ HG3     2.90 <#     1    69490.0  e   1ceaug  2842
         HA     12 LYS+ HD2     5.20  #     1     2039.0  e   1ceaug  2825
         HA     12 LYS+ HD3     5.40  #     1     1648.0  e   1ceaug  2824
         HA     12 LYS+ QE      7.50  # m   1      560.5*2e   1ceaug  1040
         HA     13 TYR  HN      4.00  #     2     8660.0  e   1ceaug  1217
         HA     13 TYR  QD      9.00  # r w 5      598.5*2e   1ceaug  1586
         HA     14 ALA  HN      7.00  #   w 3      788.0  e   1ceaug  4108
         HA     15 ALA  QB      4.20  #     3M    4346.0  e   1ceaug  1042
         HB2    12 LYS+ HG2     4.40  #     1     5940.0  e   1ceaug  2833
         HB2    12 LYS+ HG3     4.10  #     1     8603.0  e   1ceaug  2819
         HB2    12 LYS+ HD2     3.50  #     1    23240.0  e   1ceaug  2836
         HB2    12 LYS+ HD3     4.10  #     1     9173.0  e   1ceaug  3959
         HB2    12 LYS+ QE      6.50  # m   1     1515.0*2e   1ceaug  3957
         HB2    13 TYR  HN      4.20 >#     2     6310.0  e   1ceaug  1532
         HB2    13 TYR  QD      7.10  # r   5    10345.0*2e   1ceaug  2335
         HB2    13 TYR  QE      9.00 ># r w 5      422.0*2e   1ceaug  1594
         HB3    12 LYS+ HG2     4.10  #     1     9160.0  e   1ceaug  3970
         HB3    12 LYS+ HG3     7.00  #   w 1         .0  e   1ceaug  2821
         HB3    12 LYS+ HD2     3.00  #     1    56190.0  e   1ceaug  3960
         HB3    12 LYS+ HD3     3.40  #     1    26700.0  e   1ceaug  3961
         HB3    12 LYS+ QE      6.20  # m   1     2164.0*2e   1ceaug  3956
         HB3    13 TYR  HN      3.50 <#     2    20460.0  e   1ceaug  3975
         HB3    13 TYR  HA      4.60  #     2     3838.0  e   1ceaug  5291
         HB3    13 TYR  QE      9.00 <# r w 5     1279.0*2e   1ceaug  5200
         HG2    12 LYS+ HD2     3.60  #     1    18910.0  e   1ceaug  3968
         HG2    12 LYS+ HD3     3.30  #     1    32550.0  e   1ceaug  2847
         HG2    12 LYS+ QE      5.60  # m   1     4595.0*2e   1ceaug  2850
         HG2    13 TYR  QD      9.00  # r w 5      674.5*2e   1ceaug  4905
         HG2    13 TYR  QE      9.00  # r w 5      525.0*2e   1ceaug  1578
         HG3    12 LYS+ HD2     3.70  #     1    15430.0  e   1ceaug  2845
         HG3    12 LYS+ HD3     3.60  #     1    20830.0  e   1ceaug  2846
         HG3    12 LYS+ QE      5.60  # m   1     4457.5*2e   1ceaug  2841
         HG3    13 TYR  HN      7.00  #     5     2853.0  e   1ceaug  1528
         HG3    13 TYR  QD      9.00  # r w 5     1166.0*2e   1ceaug  4904
         HG3    13 TYR  QE      9.00  # r w 5      706.5*2e   1ceaug  5328
         HD2    13 TYR  QD      9.00  # r w 5      568.5*2e   1ceaug  4903
         HD3    12 LYS+ QE      4.70  # m   1    16710.0*2e   1ceaug  2830
         HD3    13 TYR  HN      7.00  #   w 5     1964.0  e   1ceaug  1530
         HD3    13 TYR  QE      7.70  # r   5     6775.0*2e   1ceaug  1593
         QE     13 TYR  QE     10.00  # mrw 5     2432.8*4e   1ceaug  1766
 13 TYR  
         HN     13 TYR  HA      3.70  #     2    12980.0  e   1ceaug   118
         HN     13 TYR  HB2     3.10  #     2    41520.0  e   1ceaug  1044
         HN     13 TYR  HB3     3.40  #     2    21480.0  e   1ceaug  2857
         HN     13 TYR  QD      5.60  # r   1    20775.0*2e   1ceaug  2855
         HN     14 ALA  HN      2.90  #     2    58240.0  e   1ceaug  1536
         HN     14 ALA  QB      4.70  #     2M    3483.0  e   1ceaug  1525
         HN     15 ALA  HN      5.80  #     3     2838.0  e   1ceaug  4110
         HN     23 LEU  QD2     8.00  #     5M    1336.0  e   1ceaug  1939
         HN     31 LEU  QD1     8.00  #     5M    3238.0  e   1ceaug  4117
         HA     13 TYR  HB2     3.70 >#     2    13660.0  e   1ceaug   120
         HA     13 TYR  HB3     3.00 <#     2    51440.0  e   1ceaug   121
         HA     13 TYR  QD      4.60  # m   1    20620.0*2e   1ceaug  2854
         HA     13 TYR  QE      6.20  # i   1     1326.5*2e   1ceaug  1584
         HA     14 ALA  HN      3.90  #     2    10350.0  e   1ceaug   123
         HA     16 LYS+ HN      5.90  #     3     2667.0  e   1ceaug  2337
         HA     16 LYS+ HB2     5.00  #     3     5305.0  e   1ceaug  4111
         HA     16 LYS+ HB3     6.00  #     3     2562.0  e   1ceaug  4112
         HB2    13 TYR  QD      5.20  # r   1    40880.0*2e   1ceaug  1585
         HB2    14 ALA  HN      3.50 <#     2    20390.0  e   1ceaug   127
         HB2    23 LEU  QD1     6.60  #     5M   14280.0  e   1ceaug  2133
         HB2    23 LEU  QD2     6.30  #     5M   17740.0  e   1ceaug  4248
         HB2    31 LEU  QD1     5.20  #     5M   37400.0  e   1ceaug  5037
         HB3    13 TYR  QD      5.20  # r   1    37765.0*2e   1ceaug  1580
         HB3    13 TYR  QE      6.40  # r   1     5480.0*2e   1ceaug  1581
         HB3    14 ALA  HN      4.20 >#     2     6360.0  e   1ceaug   129
         HB3    23 LEU  QD1     8.00  #     5M    6678.0  e   1ceaug  2131
         HB3    23 LEU  QD2     7.70  #     5M    7679.0  e   1ceaug  1698
         HB3    31 LEU  HN      7.00  #   w 5     1201.0  e   1ceaug  1894
         HB3    31 LEU  QD1     6.10  #     5M   19830.0  e   1ceaug  5036
         QD     13 TYR  QE      7.10  # rr  1    46825.0*4e   1ceaug  2881
         QD     14 ALA  HN      8.50  # r   5     3765.5*2e   1ceaug  2359
         QD     23 LEU  QD1    10.00 <# r   5M    2335.0*2e   1ceaug  4909
         QD     23 LEU  QD2    10.00 ># r   5M     421.0*2e   1ceaug  1604
         QD     30 LEU  HB2     7.40  # r   5     8130.0*2e   1ceaug  5053
         QD     30 LEU  HB3     7.60  # r   5     7170.0*2e   1ceaug  5054
         QD     30 LEU  HG      8.10  # r   5     4947.0*2e   1ceaug  2142
         QD     30 LEU  QD1     9.70  # r   5M    8000.0*2e   1ceaug  5052
         QD     30 LEU  QD2    10.00  # r   5M    4375.5*2e   1ceaug  5051
         QD     31 LEU  HN      7.30  # r   5     8570.0*2e   1ceaug  2006
         QD     31 LEU  HA      7.20  # r   5     9275.0*2e   1ceaug  4123
         QD     31 LEU  HB2     7.60 <# r   5     7070.0*2e   1ceaug  4120
         QD     31 LEU  HB3     9.00 ># r w 5     1556.0*2e   1ceaug  4121
         QD     31 LEU  HG      6.50  # r   5    16735.0*2e   1ceaug  1922
         QD     31 LEU  QD1     7.90 <# r   5M   22440.0*2e   1ceaug  4119
         QD     31 LEU  QD2    10.00 ># r   5M    1925.5*2e   1ceaug  2362
         QE     30 LEU  HB3     6.70  # r   5    13970.0*2e   1ceaug  1595
         QE     30 LEU  HG      7.60  # r   5     7185.0*2e   1ceaug  5162
         QE     30 LEU  QD1    10.00  # r   5M    6840.0*2e   1ceaug  5272
         QE     30 LEU  QD2    10.00  # r   5M    2791.5*2e   1ceaug  5273
         QE     31 LEU  HN      9.00  # r w 5      799.5*2e   1ceaug  4132
         QE     31 LEU  HA      5.90  # r   5    30005.0*2e   1ceaug  1765
         QE     31 LEU  HB2     9.00  # r w 5     2690.5*2e   1ceaug  4131
         QE     31 LEU  HG      7.10  # r   5    10085.0*2e   1ceaug  4126
         QE     31 LEU  QD1    10.00  # r   5M    1025.5*2e   1ceaug  1579
         QE     31 LEU  QD2    10.00  # r   5M    1117.5*2e   1ceaug  2366
         QE     34 THR  HB      9.00  # r   5     2827.0*2e   1ceaug  1583
         QE     34 THR  QG2    10.00  # r   5M    4810.0*2e   1ceaug  2368
         QE     35 GLU- HG2     9.00  # r w 5     1915.0*2e   1ceaug  5163
 14 ALA  
         HN     14 ALA  HA      3.20  #     2    35570.0  e   1ceaug   132
         HN     14 ALA  QB      3.30  #   s 2M   87320.0  e   1ceaug  2862
         HN     15 ALA  HN      3.10  #     2    41370.0  e   1ceaug  1219
         HN     15 ALA  QB      5.50  #     2M    1341.0  e   1ceaug  1863
         HN     16 LYS+ HN      5.30  #     3     4192.0  e   1ceaug  2090
         HN     23 LEU  HG      7.00  #   w 5         .0  e   1ceaug  1853
         HN     23 LEU  QD1     6.70  #     5M   13760.0  e   1ceaug  5225
         HN     23 LEU  QD2     5.70  #     5M   25990.0  e   1ceaug  1851
         HA     14 ALA  QB      3.30  #   s 2M  111300.0  e   1ceaug  1685
         HA     15 ALA  HN      4.60  #     2     3499.0  e   1ceaug   133
         HA     15 ALA  HA      6.50  #     2      457.0  e   1ceaug  3978
         HA     16 LYS+ HN      4.30  #     3     9250.0  e   1ceaug  4135
         HA     17 GLU- HN      7.00  #   w 3         .0  e   1ceaug  4136
         HA     23 LEU  HA      3.60  #     4    13570.0  e   1ceaug  4137
         HA     23 LEU  QD1     5.10  #     5M   42030.0  e   1ceaug  5049
         HA     23 LEU  QD2     4.50  #     5M   67040.0  e   1ceaug  1684
         HA     24 SER  HN      4.70  #     4     2491.0  e   1ceaug  1407
         QB     15 ALA  HN      3.80  #     2M   12560.0  e   1ceaug  4988
         QB     15 ALA  QB      9.00  # m   5M    4554.0  e   1ceaug  3977
         QB     21 ASN  HN      8.00  #     5M    2230.0  e   1ceaug  5228
         QB     21 ASN  HA      5.20  #     5M   37580.0  e   1ceaug  1681
         QB     22 GLN  HN      6.30  #     5M   17730.0  e   1ceaug  1518
         QB     23 LEU  HN      8.00  #     5M    4823.0  e   1ceaug  4171
 15 ALA  
         HN     15 ALA  HA      3.40  #     2    23820.0  e   1ceaug   136
         HN     15 ALA  QB      3.30  #   s 2M  107600.0  e   1ceaug  1046
         HN     16 LYS+ HN      3.10  #     2    37420.0  e   1ceaug  2373
         HN     20 PRO  HA      4.10  #     4     6024.0  e   1ceaug  4140
         HN     20 PRO  HB2     7.00  #   w 5      748.0  e   1ceaug  4141
         HN     23 LEU  QD1     8.00  #     5M    1158.0  e   1ceaug  4976
         HN     23 LEU  QD2     8.00  #     5M     932.0  e   1ceaug  4975
         HA     15 ALA  QB      3.30  #   s 2M  107700.0  e   1ceaug  1695
         HA     16 LYS+ HN      4.00  #     2     8484.0  e   1ceaug   137
         HA     17 GLU- HN      7.00  #   w 3      615.0  e   1ceaug  1427
         HA     20 PRO  HB3     7.00  #   w 5      268.0  e   1ceaug  4143
         QB     16 LYS+ HN      3.90  #     2M   11110.0  e   1ceaug  3628
 16 LYS+ 
         HN     16 LYS+ HA      3.10  #     2    39160.0  e   1ceaug   142
         HN     16 LYS+ HB2     3.20  #     2    33260.0  e   1ceaug  1047
         HN     16 LYS+ HB3     3.40  #     2    21310.0  e   1ceaug  3629
         HN     16 LYS+ HG2     4.20  #     1     7766.0  e   1ceaug  1049
         HN     16 LYS+ HG3     4.00  #     1     9749.0  e   1ceaug  1050
         HN     16 LYS+ HD2     4.70  #     1     3995.0  e   1ceaug  3979
         HN     16 LYS+ HD3     4.90  #     1     2933.0  e   1ceaug   144
         HN     17 GLU- HN      3.50  #     2    19690.0  e   1ceaug  3632
         HN     27 GLU- HG2     6.90  #     5     3072.0  e   1ceaug  5330
         HN     27 GLU- HG3     7.00  #     5     2878.0  e   1ceaug  4146
         HA     16 LYS+ HB2     3.20  #     2    35780.0  e   1ceaug   148
         HA     16 LYS+ HB3     3.00  #     2    46840.0  e   1ceaug   145
         HA     16 LYS+ HG2     3.90  #     1    11680.0  e   1ceaug  2074
         HA     16 LYS+ HG3     4.10  #     1     8542.0  e   1ceaug  3992
         HA     16 LYS+ HD2     4.40  #     1     6106.0  e   1ceaug  1051
         HA     16 LYS+ HD3     4.50  #     1     4772.0  e   1ceaug  3980
         HA     17 GLU- HN      3.80  #     2    11040.0  e   1ceaug   149
         HB2    16 LYS+ HG2     3.80  #     1    14450.0  e   1ceaug  2087
         HB2    16 LYS+ HG3     3.70  #     1    16080.0  e   1ceaug  2086
         HB2    16 LYS+ HD2     3.40  #     1    27450.0  e   1ceaug  3989
         HB2    16 LYS+ HD3     3.50  #     1    22800.0  e   1ceaug   156
         HB2    16 LYS+ HE2     4.80  #     1     3550.0  e   1ceaug  3983
         HB2    17 GLU- HN      3.30  #     2    27150.0  e   1ceaug  1423
         HB3    16 LYS+ HG2     3.50  #     1    21580.0  e   1ceaug  4152
         HB3    16 LYS+ HG3     3.70  #     1    17770.0  e   1ceaug  3999
         HB3    16 LYS+ HD2     3.60  #     1    19760.0  e   1ceaug  4147
         HB3    16 LYS+ HD3     3.70  #     1    16560.0  e   1ceaug  4148
         HB3    16 LYS+ HE2     5.10  #     1     2354.0  e   1ceaug  3982
         HB3    17 GLU- HN      3.50  #     2    18000.0  e   1ceaug   154
         HB3    27 GLU- HG2     4.70  #     5    14760.0  e   1ceaug  4150
         HB3    27 GLU- HG3     4.10  #     5    26030.0  e   1ceaug  4149
         HG2    16 LYS+ HD2     2.90  #     1    65150.0  e   1ceaug  2088
         HG2    16 LYS+ HD3     3.00  #     1    55040.0  e   1ceaug  4002
         HG2    16 LYS+ HE2     3.50  #     1    23790.0  e   1ceaug  2083
         HG2    16 LYS+ HE3     4.90  #     1     2958.0  e   1ceaug  2078
         HG2    17 GLU- HN      7.00  #   w 5     1192.0  e   1ceaug  1827
         HG3    16 LYS+ HD2     2.80  #     1    81880.0  e   1ceaug  2870
         HG3    16 LYS+ HD3     3.30  #     1    33770.0  e   1ceaug  4003
         HG3    16 LYS+ HE2     4.00  #     1    10390.0  e   1ceaug  2082
         HG3    16 LYS+ HE3     4.60  #     1     4468.0  e   1ceaug  3994
         HG3    17 GLU- HN      7.00  #   w 5     1028.0  e   1ceaug  4010
         HD2    16 LYS+ HE3     4.60  #     1     4227.0  e   1ceaug  2081
         HD2    17 GLU- HN      7.00  #   w 5      699.0  e   1ceaug  4008
         HD3    16 LYS+ HE2     5.00  #     1     2630.0  e   1ceaug   158
         HD3    16 LYS+ HE3     3.90  #     1    11720.0  e   1ceaug  4006
         HD3    17 GLU- HN      7.00  #   w 5      680.0  e   1ceaug  4009
 17 GLU- 
         HN     17 GLU- HA      3.40  #     2    24220.0  e   1ceaug   160
         HN     17 GLU- HB2     3.40  #     2    23800.0  e   1ceaug   164
         HN     17 GLU- HB3     3.70  #     2    13410.0  e   1ceaug   162
         HN     17 GLU- HG2     3.60  #     1    20560.0  e   1ceaug  1054
         HN     17 GLU- HG3     3.50  #     1    23730.0  e   1ceaug  1053
         HN     18 GLY  HN      5.20  #     2     1724.0  e   1ceaug  1446
         HN     27 GLU- HB2     5.20  #     5     9501.0  e   1ceaug  1424
         HN     27 GLU- HG2     5.30  #     5     9078.0  e   1ceaug  2384
         HN     27 GLU- HG3     5.90  #     5     5851.0  e   1ceaug  2386
         HA     17 GLU- HB2     3.30  #     2    26720.0  e   1ceaug   167
         HA     17 GLU- HB3     3.50  #     2    20550.0  e   1ceaug   165
         HA     17 GLU- HG2     3.70 <#     1    15880.0  e   1ceaug   169
         HA     17 GLU- HG3     5.40 >#     1     1635.0  e   1ceaug   171
         HA     18 GLY  HN      2.60  #     2   110000.0  e   1ceaug   173
         HB2    17 GLU- HG3     3.00  #     1    53930.0  e   1ceaug   184
         HB2    27 GLU- HB3     4.70  #     5    14280.0  e   1ceaug  5293
         HB3    17 GLU- HG2     3.30  #     1    32770.0  e   1ceaug   178
         HB3    17 GLU- HG3     3.10  #     1    46860.0  e   1ceaug   180
         HB3    18 GLY  HN      3.30  #     2    25830.0  e   1ceaug  3684
         HB3    27 GLU- HB2     5.10  #     5    10460.0  e   1ceaug  5308
         HB3    27 GLU- HB3     6.70  #     5     3446.0  e   1ceaug  4153
         HG2    18 GLY  HN      4.60  #     5    15900.0  e   1ceaug  3685
 18 GLY  
         HN     18 GLY  HA1     2.80  #     2    71910.0  e   1ceaug  1056
         HN     18 GLY  HA2     3.20  #     2    35720.0  e   1ceaug  1055
         HN     19 ASP- HN      5.10  #     2     2027.0  e   1ceaug  1222
         HA1    19 ASP- HN      3.40  #     2    24790.0  e   1ceaug  1224
         HA2    19 ASP- HN      2.90  #     2    58960.0  e   1ceaug  1223
 19 ASP- 
         HN     19 ASP- HA      3.60  #     2    15130.0  e   1ceaug   188
         HN     19 ASP- HB2     3.10  #     2    36580.0  e   1ceaug   190
         HN     19 ASP- HB3     3.20  #     2    30220.0  e   1ceaug  2886
         HA     19 ASP- HB2     3.60  #     2    16610.0  e   1ceaug   195
         HA     19 ASP- HB3     3.20  #     2    34190.0  e   1ceaug   197
         HA     20 PRO  HD2     3.10  #     5    76720.0  e   1ceaug  2387
         HA     20 PRO  HD3     3.40  #     5    55870.0  e   1ceaug  2389
         HA     21 ASN  HN      7.00  #   w 3     1302.0  e   1ceaug  4857
         HB2    20 PRO  HD2     6.20  #     5     4570.0  e   1ceaug  3861
         HB2    21 ASN  HN      5.30  #     3     4230.0  e   1ceaug   201
         HB2    22 GLN  HN      5.50  #     3     3616.0  e   1ceaug   203
         HB3    20 PRO  HD2     6.10  #     5     4985.0  e   1ceaug  3860
         HB3    21 ASN  HN      5.00  #     3     5228.0  e   1ceaug   206
         HB3    22 GLN  HN      4.40  #     3     8487.0  e   1ceaug   208
 20 PRO  
         HA     20 PRO  HB2     5.10 >#     2     2010.0  e   1ceaug   211
         HA     20 PRO  HB3     4.10 <#     2     7076.0  e   1ceaug   209
         HA     21 ASN  HN      4.60  #     2     3690.0  e   1ceaug  1225
         HB2    20 PRO  HG2     4.60  #     1     4623.0  e   1ceaug  2889
         HB2    20 PRO  HG3     3.20  #     1    40120.0  e   1ceaug  2901
         HB2    20 PRO  HD2     5.70  #     1     1190.0  e   1ceaug  2888
         HB2    20 PRO  HD3     5.50  #     1     1545.0  e   1ceaug  2892
         HB2    21 ASN  HN      5.50  #     2     1268.0  e   1ceaug  1228
         HB3    20 PRO  HG2     2.90  #     1    68540.0  e   1ceaug  2910
         HB3    20 PRO  HG3     3.10  #     1    49940.0  e   1ceaug  2902
         HB3    20 PRO  HD2     5.00  #     1     2527.0  e   1ceaug  2906
         HB3    20 PRO  HD3     4.80  #     1     3592.0  e   1ceaug  2907
         HG2    20 PRO  HD2     3.60  #     1    20940.0  e   1ceaug  2900
         HG2    20 PRO  HD3     3.90  #     1    11060.0  e   1ceaug  1060
         HG2    21 ASN  HN      5.70 <#     5     6590.0  e   1ceaug  1485
         HG3    20 PRO  HD2     2.90  #     1    69070.0  e   1ceaug  1061
         HG3    20 PRO  HD3     3.20  #     1    38510.0  e   1ceaug  1062
         HG3    21 ASN  HN      7.00 >#   w 5      573.0  e   1ceaug  5329
         HD2    21 ASN  HN      5.80  #     5     6019.0  e   1ceaug  1227
         HD3    21 ASN  HN      6.20  #     5     4666.0  e   1ceaug  1226
 21 ASN  
         HN     21 ASN  HA      3.60  #     2    16860.0  e   1ceaug   216
         HN     21 ASN  HB2     3.00 <#     2    45060.0  e   1ceaug   218
         HN     21 ASN  HB3     4.10 >#     2     7501.0  e   1ceaug   220
         HN     21 ASN  HD21    4.60  #     1     4113.0  e   1ceaug  2915
         HN     21 ASN  HD22    4.80  #     1     3504.0  e   1ceaug  1812
         HN     22 GLN  HN      2.70  #     2    87310.0  e   1ceaug   222
         HA     21 ASN  HB2     3.40  #     2    24840.0  e   1ceaug   223
         HA     21 ASN  HB3     3.00  #     2    45690.0  e   1ceaug   225
         HA     21 ASN  HD22    7.00  #   w 1      219.0  e   1ceaug  2911
         HA     22 GLN  HN      3.70  #     2    13020.0  e   1ceaug  1230
         HA     63 PHE  HN      7.00  #   w 4      150.0  e   1ceaug  4849
         HB2    21 ASN  HD21    3.50  #     1    24520.0  e   1ceaug  1650
         HB2    21 ASN  HD22    4.10  #     1     8169.0  e   1ceaug  1652
         HB2    22 GLN  HN      4.50  #     2     4017.0  e   1ceaug  1950
         HB3    21 ASN  HD21    4.40  #     1     5974.0  e   1ceaug  1651
         HB3    21 ASN  HD22    4.40  #     1     5688.0  e   1ceaug  2919
         HB3    22 GLN  HN      4.70  #     2     3014.0  e   1ceaug  5191
 22 GLN  
         HN     22 GLN  HA      4.30  #     2     5392.0  e   1ceaug   230
         HN     22 GLN  HB2     4.70 >#     2     3039.0  e   1ceaug  1066
         HN     22 GLN  HB3     4.00 <#     2     8798.0  e   1ceaug  1064
         HN     22 GLN  HG2     5.10  #     1     2444.0  e   1ceaug  1063
         HN     22 GLN  HG3     4.60  #     1     4177.0  e   1ceaug  1065
         HA     22 GLN  HB3     5.30  #     2     1464.0  e   1ceaug  1994
         HA     22 GLN  HG2     3.90 <#     1    12180.0  e   1ceaug  2927
         HA     22 GLN  HG3     7.00 >#   w 1      282.0  e   1ceaug  1993
         HA     23 LEU  HN      3.60  #     2    16140.0  e   1ceaug   231
         HA     63 PHE  HN      5.90  #     4      691.0  e   1ceaug  4848
         HB2    22 GLN  HG2     4.00  #     1    10480.0  e   1ceaug  2944
         HB2    22 GLN  HG3     4.00  #     1    10600.0  e   1ceaug  2925
         HB2    23 LEU  HN      5.00 >#     2     2308.0  e   1ceaug  1417
         HB3    22 GLN  HG2     5.30  #     1     1776.0  e   1ceaug  2932
         HB3    22 GLN  HG3     6.10  #     1      807.0  e   1ceaug  2931
         HB3    22 GLN  HE21    6.00  #     1      883.0  e   1ceaug  2934
         HB3    23 LEU  HN      4.00 <#     2     8434.0  e   1ceaug  5209
         HG2    22 GLN  HE21    3.50  #     1    24560.0  e   1ceaug  2928
         HG3    22 GLN  HE21    4.80  #     1     3458.0  e   1ceaug  1623
 23 LEU  
         HN     23 LEU  HA      4.00  #     2     8862.0  e   1ceaug   234
         HN     23 LEU  HB2     3.80  #     2    11730.0  e   1ceaug   235
         HN     23 LEU  HB3     4.00  #     2     9033.0  e   1ceaug   237
         HN     23 LEU  HG      4.00  #     1     9657.0  e   1ceaug  1067
         HN     23 LEU  QD1     5.80  #     1M    2416.0  e   1ceaug  2956
         HN     23 LEU  QD2     6.50  #     1M    1169.0  e   1ceaug  1413
         HN     24 SER  HN      6.60  #     2      406.0  e   1ceaug  1231
         HN     61 VAL  HN      4.00  #     4     7286.0  e   1ceaug  1801
         HN     61 VAL  HB      5.40  #     5     8359.0  e   1ceaug  4865
         HN     61 VAL  QG1     8.00  #     5M        .0  e   1ceaug  2412
         HA     23 LEU  HB2     3.60  #     2    17470.0  e   1ceaug   239
         HA     23 LEU  HB3     3.20  #     2    31100.0  e   1ceaug   241
         HA     23 LEU  HG      3.70  #     1    15620.0  e   1ceaug  2958
         HA     23 LEU  QD1     3.90 <#     1M   24990.0  e   1ceaug  2962
         HA     23 LEU  QD2     5.30 >#     1M    3992.0  e   1ceaug  2967
         HA     24 SER  HN      2.60  #     2   105600.0  e   1ceaug   243
         HA     27 GLU- HN      7.00  #   w 3     1103.0  e   1ceaug  4154
         HA     27 GLU- HB2     3.90  #     3    14230.0  e   1ceaug  4156
         HA     27 GLU- HB3     4.20  #     3    10330.0  e   1ceaug  4157
         HA     27 GLU- HG2     7.00  #     5     2859.0  e   1ceaug  4155
         HA     27 GLU- HG3     7.00  #   w 5     2429.0  e   1ceaug  4158
         HA     28 LEU  HN      5.10  #     4     1547.0  e   1ceaug  4160
         HA     61 VAL  HN      5.70  #     4      807.0  e   1ceaug  4260
         HB2    23 LEU  HG      3.10  #     1    51220.0  e   1ceaug  2959
         HB2    23 LEU  QD1     3.80  #     1M   31860.0  e   1ceaug  2953
         HB2    23 LEU  QD2     3.80  #     1M   33440.0  e   1ceaug  2954
         HB2    24 SER  HN      4.50  #     2     4042.0  e   1ceaug  1410
         HB2    28 LEU  HN      7.00 >#   w 5     1839.0  e   1ceaug  4252
         HB2    61 VAL  HB      3.10  #     5    75150.0  e   1ceaug  4867
         HB2    61 VAL  QG1     6.80  #     5M   12630.0  e   1ceaug  4870
         HB3    23 LEU  HG      3.20  #     1    41790.0  e   1ceaug  2949
         HB3    23 LEU  QD1     3.70  #     1M   37770.0  e   1ceaug  2950
         HB3    23 LEU  QD2     4.10  #     1M   18750.0  e   1ceaug  2951
         HB3    24 SER  HN      3.90  #     2     9525.0  e   1ceaug   247
         HB3    27 GLU- HB3     4.30  #     5    20590.0  e   1ceaug  4241
         HB3    28 LEU  HN      6.20 <#     5     4781.0  e   1ceaug  4163
         HB3    28 LEU  HA      7.00  #   w 5     2466.0  e   1ceaug  4255
         HB3    28 LEU  HB2     5.20  #     5     9225.0  e   1ceaug  4167
         HB3    28 LEU  HG      7.00  #   w 5     1794.0  e   1ceaug  4168
         HB3    28 LEU  QD1     5.20  #     5M   37800.0  e   1ceaug  4166
         HB3    28 LEU  QD2     4.70  #     5M   54900.0  e   1ceaug  4165
         HB3    61 VAL  HN      7.00  #   w 5      505.0  e   1ceaug  5197
         HB3    61 VAL  HB      3.90  #     5    30210.0  e   1ceaug  4866
         HB3    61 VAL  QG1     8.00  #     5M    4655.0  e   1ceaug  4869
         HG     23 LEU  QD1     3.60  #     1M   40090.0  e   1ceaug  2965
         HG     23 LEU  QD2     3.80  #     1M   30800.0  e   1ceaug  2961
         HG     24 SER  HN      6.60  #     5     3618.0  e   1ceaug  1411
         HG     61 VAL  HB      4.80  #     5    13670.0  e   1ceaug  4868
         QD1    24 SER  HN      7.10 <#     5M   10800.0  e   1ceaug  1412
         QD1    27 GLU- HN      8.00  #     5M    1374.0  e   1ceaug  4250
         QD1    27 GLU- HB2     7.20  #     5M   10370.0  e   1ceaug  4244
         QD1    27 GLU- HB3     5.00  #     5M   44140.0  e   1ceaug  5152
         QD1    28 LEU  HN      8.00  #     5M    6690.0  e   1ceaug  1855
         QD1    28 LEU  HA      6.70  #     5M   13850.0  e   1ceaug  5046
         QD1    28 LEU  QD1     9.00  # m   5M    2167.0  e   1ceaug  5344
         QD1    28 LEU  QD2     9.00  # m   5M    3768.0  e   1ceaug  5342
         QD1    31 LEU  HN      8.00  #     5M     996.0  e   1ceaug  5265
         QD1    61 VAL  HB      5.20  #     5M   37970.0  e   1ceaug  4873
         QD1    61 VAL  QG1     6.70  # m   5M   26880.0  e   1ceaug  4874
         QD1    66 PHE  HN      8.00  #     5M     759.0  e   1ceaug  4910
         QD1    66 PHE  HB3     8.00  #     5M    1743.0  e   1ceaug  4912
         QD1    66 PHE  QD      8.60  # r   5M   14470.0*2e   1ceaug  4915
         QD1    66 PHE  QE     10.00  # r   5M    5515.0*2e   1ceaug  4916
         QD2    24 SER  HN      8.00 >#     5M    2990.0  e   1ceaug  1379
         QD2    27 GLU- HB2     8.00  #     5M    2144.0  e   1ceaug  4243
         QD2    28 LEU  HN      8.00  #     5M    2895.0  e   1ceaug  5226
         QD2    28 LEU  HA      7.80  #     5M    7250.0  e   1ceaug  1683
         QD2    28 LEU  QD1     9.00  # m   5M    3390.0  e   1ceaug  5345
         QD2    28 LEU  QD2     9.00  # m   5M    6309.0  e   1ceaug  5343
         QD2    61 VAL  HB      5.30  #     5M   36280.0  e   1ceaug  4876
         QD2    61 VAL  QG1     6.30  # m   5M   34970.0  e   1ceaug  4872
         QD2    66 PHE  HN      8.00  #     5M     967.0  e   1ceaug  4923
         QD2    66 PHE  HB3     8.00  #     5M    1578.0  e   1ceaug  4911
         QD2    66 PHE  QD      7.60  # r   5M   29110.0*2e   1ceaug  4921
         QD2    66 PHE  QE      9.40  # r   5M    9050.0*2e   1ceaug  4918
 24 SER  
         HN     24 SER  HA      3.70  #     2    14210.0  e   1ceaug   250
         HN     24 SER  HB2     3.40 <#     2    22830.0  e   1ceaug  1072
         HN     24 SER  HB3     4.10 >#     2     7649.0  e   1ceaug  1071
         HN     25 LYS+ HN      6.00  #     2      758.0  e   1ceaug  1803
         HN     27 GLU- HN      4.20  #     3    10850.0  e   1ceaug  3705
         HN     27 GLU- HA      5.80  #     3     2974.0  e   1ceaug  1406
         HN     27 GLU- HB2     2.60  #     3    71730.0  e   1ceaug  1408
         HN     27 GLU- HB3     3.20  #     3    30120.0  e   1ceaug  3708
         HN     27 GLU- HG2     5.40  #     5     8027.0  e   1ceaug  3706
         HN     27 GLU- HG3     5.40  #     5     8450.0  e   1ceaug  4172
         HN     28 LEU  HN      6.80  #     3     1527.0  e   1ceaug  1802
         HN     60 GLU- HA      7.00  #   w 4         .0  e   1ceaug  1800
         HN     61 VAL  HN      4.70  #     4     2653.0  e   1ceaug  4258
         HA     24 SER  HB2     3.50 <#     2    19100.0  e   1ceaug  2975
         HA     24 SER  HB3     5.60 >#     2     1117.0  e   1ceaug  2972
         HA     25 LYS+ HN      2.80  #     2    67110.0  e   1ceaug   251
         HA     25 LYS+ HA      6.00  #     2      753.0  e   1ceaug  3855
         HA     26 GLU- HN      5.40  #     3     3700.0  e   1ceaug  4043
         HA     27 GLU- HN      5.50  #     3     3576.0  e   1ceaug  3704
         HB2    25 LYS+ HN      3.80 >#     2    10730.0  e   1ceaug  1468
         HB2    26 GLU- HN      5.80  #     3     2827.0  e   1ceaug  2437
         HB2    27 GLU- HN      6.90 <#     3     1458.0  e   1ceaug  5298
         HB2    27 GLU- HB3     7.00  #   w 5     1530.0  e   1ceaug  4179
         HB3    25 LYS+ HN      3.10 <#     2    42020.0  e   1ceaug  1469
         HB3    26 GLU- HN      5.80  #     3     2833.0  e   1ceaug  2441
         HB3    27 GLU- HN      7.00 >#   w 3      500.0  e   1ceaug  2017
 25 LYS+ 
         HN     25 LYS+ HA      3.30  #     2    27510.0  e   1ceaug   254
         HN     25 LYS+ HB2     2.90  #     2    62750.0  e   1ceaug  1475
         HN     25 LYS+ HB3     3.10  #     2    36510.0  e   1ceaug   255
         HN     25 LYS+ HG2     7.00  #   w 1         .0  e   1ceaug  1486
         HN     25 LYS+ HG3     5.90  #     1      955.0  e   1ceaug  1502
         HN     25 LYS+ QE      8.00  # m w 1      103.0*2e   1ceaug  4261
         HN     26 GLU- HN      3.30  #     2    28990.0  e   1ceaug   258
         HN     27 GLU- HN      7.00  #   w 3      701.0  e   1ceaug   261
         HN     28 LEU  HN      7.00  #   w 3      440.0  e   1ceaug  4198
         HN     50 PHE  HA      5.90  #     4      636.0  e   1ceaug  4275
         HA     25 LYS+ HB2     2.80 <#     2    68150.0  e   1ceaug   264
         HA     25 LYS+ HB3     3.40 >#     2    21190.0  e   1ceaug   266
         HA     25 LYS+ HG2     4.10  #     1     8918.0  e   1ceaug  1075
         HA     25 LYS+ HG3     3.90  #     1    11150.0  e   1ceaug  2981
         HA     25 LYS+ QE      5.60  # m   1     4548.0*2e   1ceaug  4183
         HA     26 GLU- HN      4.20  #     2     6285.0  e   1ceaug   267
         HA     27 GLU- HN      7.00  #   w 3      701.0  e   1ceaug  4196
         HA     28 LEU  HN      4.40  #     3     9149.0  e   1ceaug  1472
         HA     28 LEU  HB3     4.00  #     3    13340.0  e   1ceaug  5038
         HA     28 LEU  QD1     8.00 >#     5M    3344.0  e   1ceaug  4264
         HA     28 LEU  QD2     7.20 <#     5M   10150.0  e   1ceaug  4265
         HA     29 LYS+ HN      6.20  #     3     2191.0  e   1ceaug  4237
         HA     46 LEU  QD1     8.00 <#     5M    3370.0  e   1ceaug  4209
         HA     46 LEU  QD2     8.00 >#     5M    1278.0  e   1ceaug  4268
         HA     50 PHE  HA      5.00  #     4     1806.0  e   1ceaug  4276
         HA     50 PHE  HB2     5.70  #     5     6527.0  e   1ceaug  4279
         HA     50 PHE  HB3     5.20  #     5     9425.0  e   1ceaug  4281
         HA     50 PHE  QD      6.50  # r   5    17535.0*2e   1ceaug  4219
         HB2    25 LYS+ HG2     3.40  #     1    29000.0  e   1ceaug  2998
         HB2    25 LYS+ HG3     3.20  #     1    40130.0  e   1ceaug  4188
         HB2    25 LYS+ QD      5.00  # m   1    10895.0*2e   1ceaug  2988
         HB2    25 LYS+ QE      5.40 ># m   1     5735.0*2e   1ceaug  2985
         HB2    26 GLU- HN      3.70  #     2    18730.0  e   1ceaug  1520
         HB2    50 PHE  QD      7.60  # r   5     7205.0*2e   1ceaug  4283
         HB3    25 LYS+ HG2     3.40  #     1    29970.0  e   1ceaug  4187
         HB3    25 LYS+ HG3     3.50  #     1    24580.0  e   1ceaug  2993
         HB3    25 LYS+ QE      4.60 <# m   1    18015.0*2e   1ceaug  4184
         HB3    26 GLU- HN      3.30  #     2    28120.0  e   1ceaug  1541
         HG2    25 LYS+ QD      4.00 <# m   1    60350.0*2e   1ceaug  2996
         HG2    25 LYS+ QE      5.30  # m   1     6555.0*2e   1ceaug  2984
         HG2    26 GLU- HA      5.50  #     5     7580.0  e   1ceaug  4191
         HG2    29 LYS+ HN      6.00  #     5     5228.0  e   1ceaug  4204
         HG2    29 LYS+ HB2     5.00  #     5    11100.0  e   1ceaug  4202
         HG2    29 LYS+ HB3     4.90  #     5    12060.0  e   1ceaug  4203
         HG2    46 LEU  QD1     3.90  #     5M  115900.0  e   1ceaug  2199
         HG2    46 LEU  QD2     4.60  #     5M   62040.0  e   1ceaug  4272
         HG2    50 PHE  HB3     7.00  #   w 5     2616.0  e   1ceaug  4218
         HG2    50 PHE  QD      5.50  # r   5    47185.0*2e   1ceaug  4282
         HG3    25 LYS+ QD      4.70 ># m   1    17550.0*2e   1ceaug  2986
         HG3    25 LYS+ QE      5.80  # m   1     3564.0*2e   1ceaug  4182
         HG3    26 GLU- HN      7.00  #   w 5         .0  e   1ceaug  3853
         HG3    46 LEU  QD1     5.20  #     5M   38710.0  e   1ceaug  4271
         HG3    46 LEU  QD2     6.80  #     5M   12940.0  e   1ceaug  5340
         HG3    47 ASP- HA      7.00  #   w 5     2045.0  e   1ceaug  4213
         QD     25 LYS+ QE      7.70  # mm  1     1130.5*4e   1ceaug  1720
         QE     46 LEU  QD1     9.00 <# m   5M    4567.5*2e   1ceaug  4211
         QE     46 LEU  QD2     9.00 ># m   5M    1437.0*2e   1ceaug  5338
 26 GLU- 
         HN     26 GLU- HA      3.30  #     2    25940.0  e   1ceaug   271
         HN     26 GLU- HB2     3.00  #     2    47120.0  e   1ceaug   276
         HN     26 GLU- HB3     3.20  #     2    34300.0  e   1ceaug   273
         HN     26 GLU- HG2     3.90  #     1    12760.0  e   1ceaug  3693
         HN     26 GLU- HG3     4.10  #     1     8863.0  e   1ceaug  3003
         HN     27 GLU- HN      3.10  #     2    39190.0  e   1ceaug   277
         HN     28 LEU  HN      5.60  #     3     3296.0  e   1ceaug   279
         HN     29 LYS+ HN      5.10  #     3     4997.0  e   1ceaug  4229
         HA     26 GLU- HB2     3.10  #     2    38780.0  e   1ceaug   283
         HA     26 GLU- HB3     3.40  #     2    23090.0  e   1ceaug   281
         HA     26 GLU- HG2     5.30  #     1     1762.0  e   1ceaug  3697
         HA     26 GLU- HG3     4.80  #     1     3489.0  e   1ceaug  3005
         HA     27 GLU- HN      4.40  #     2     4554.0  e   1ceaug  3701
         HA     28 LEU  HN      6.00  #     3     2594.0  e   1ceaug  4225
         HA     29 LYS+ HN      4.50  #     3     8020.0  e   1ceaug  4285
         HA     29 LYS+ HB2     3.70  #     3    16910.0  e   1ceaug  4231
         HA     29 LYS+ HB3     4.00  #     3    13420.0  e   1ceaug  1743
         HB2    26 GLU- HG2     3.40  #     1    28290.0  e   1ceaug   292
         HB2    26 GLU- HG3     3.10  #     1    46090.0  e   1ceaug  3009
         HB2    27 GLU- HN      3.70  #     2    12620.0  e   1ceaug   290
         HB3    26 GLU- HG2     3.10  #     1    50600.0  e   1ceaug  3695
         HB3    26 GLU- HG3     3.20  #     1    38880.0  e   1ceaug  3008
         HB3    27 GLU- HN      3.40  #     2    22760.0  e   1ceaug   288
         HG2    27 GLU- HN      7.00 >#   w 5      416.0  e   1ceaug  3703
         HG3    27 GLU- HN      5.20 <#     5     9927.0  e   1ceaug  3702
 27 GLU- 
         HN     27 GLU- HA      3.20  #     2    36220.0  e   1ceaug   294
         HN     27 GLU- HB2     3.10  #     2    37150.0  e   1ceaug   298
         HN     27 GLU- HB3     3.60  #     2    17340.0  e   1ceaug   295
         HN     27 GLU- HG2     3.60  #     1    18310.0  e   1ceaug   299
         HN     27 GLU- HG3     3.60  #     1    20020.0  e   1ceaug   301
         HN     28 LEU  HN      3.00  #     2    45440.0  e   1ceaug   303
         HN     29 LYS+ HN      5.00  #     3     5415.0  e   1ceaug  3852
         HA     27 GLU- HB2     3.60  #     2    16950.0  e   1ceaug   307
         HA     27 GLU- HB3     3.20  #     2    33700.0  e   1ceaug   305
         HA     27 GLU- HG2     3.40  #     1    29520.0  e   1ceaug   310
         HA     27 GLU- HG3     3.50  #     1    24410.0  e   1ceaug  4159
         HA     28 LEU  HN      3.90  #     2    10000.0  e   1ceaug  1233
         HA     29 LYS+ HN      5.60  #     3     3259.0  e   1ceaug  4238
         HA     30 LEU  HN      4.40  #     3     8646.0  e   1ceaug   311
         HA     30 LEU  HB2     4.00  #     3    13550.0  e   1ceaug   313
         HA     30 LEU  HG      4.40  #     5    18360.0  e   1ceaug  5306
         HA     30 LEU  QD1     7.00  #     5M   11460.0  e   1ceaug  4288
         HA     31 LEU  HN      5.30  #     3     4213.0  e   1ceaug  1886
         HB2    27 GLU- HG2     3.70  #     1    17000.0  e   1ceaug   325
         HB2    27 GLU- HG3     2.80  #     1    96020.0  e   1ceaug   327
         HB2    28 LEU  HN      3.30 <#     2    26640.0  e   1ceaug  4236
         HB3    27 GLU- HG2     3.50  #     1    24140.0  e   1ceaug   319
         HB3    27 GLU- HG3     3.20  #     1    36680.0  e   1ceaug   321
         HB3    28 LEU  HN      4.40 >#     2     5063.0  e   1ceaug   324
         HB3    30 LEU  QD1     8.00  #     5M    4397.0  e   1ceaug  5201
         HB3    30 LEU  QD2     8.00  #     5M    4664.0  e   1ceaug  5333
         HG2    30 LEU  QD1     8.00  #     5M    5500.0  e   1ceaug  4289
         HG2    31 LEU  QD1     8.00  #     5M    2583.0  e   1ceaug  4292
 28 LEU  
         HN     28 LEU  HA      3.60  #     2    16530.0  e   1ceaug   332
         HN     28 LEU  HB3     2.90  #     2    65490.0  e   1ceaug  1078
         HN     28 LEU  QD1     4.60  #     1M   10080.0  e   1ceaug  1842
         HN     28 LEU  QD2     4.80  #     1M    7303.0  e   1ceaug  1843
         HN     29 LYS+ HN      3.00  #     2    45710.0  e   1ceaug   334
         HN     30 LEU  HN      5.30  #     3     4166.0  e   1ceaug  4293
         HN     31 LEU  HN      7.00  #   w 3      958.0  e   1ceaug  4296
         HN     50 PHE  QD      9.00  # r w 5      400.5*2e   1ceaug  1455
         HA     28 LEU  HB2     4.80 >#     2     2747.0  e   1ceaug  3013
         HA     28 LEU  HB3     3.90 <#     2     9733.0  e   1ceaug  1844
         HA     28 LEU  HG      5.10  #     1     2442.0  e   1ceaug  1745
         HA     28 LEU  QD1     4.50  #     1M   11040.0  e   1ceaug  1834
         HA     28 LEU  QD2     4.40  #     1M   13480.0  e   1ceaug  1833
         HA     29 LYS+ HN      4.20  #     2     6088.0  e   1ceaug  3713
         HA     29 LYS+ HA      5.50  #     2     1289.0  e   1ceaug  4301
         HA     30 LEU  HN      6.40  #     3     1966.0  e   1ceaug  4294
         HA     31 LEU  HN      3.60  #     3    20540.0  e   1ceaug  1744
         HA     31 LEU  HB2     3.80  #     3    16650.0  e   1ceaug  4307
         HA     31 LEU  HB3     3.60  #     3    20910.0  e   1ceaug  4303
         HA     31 LEU  QD1     6.30  #     5M   17090.0  e   1ceaug  4310
         HA     31 LEU  QD2     6.40  #     5M   16560.0  e   1ceaug  4311
         HA     32 LEU  HN      4.30  #     3     9883.0  e   1ceaug  4357
         HB2    28 LEU  HG      3.60 >#     1    18680.0  e   1ceaug  3020
         HB2    28 LEU  QD1     4.00  #     1M   22380.0  e   1ceaug  1840
         HB2    28 LEU  QD2     4.40  #     1M   13360.0  e   1ceaug  1837
         HB2    29 LYS+ HN      4.30 >#     2     5726.0  e   1ceaug  1501
         HB3    28 LEU  HG      2.60 <#     1   126600.0  e   1ceaug  3015
         HB3    28 LEU  QD1     3.50  #     1M   50950.0  e   1ceaug  4314
         HB3    28 LEU  QD2     3.60  #     1M   43310.0  e   1ceaug  1835
         HB3    29 LYS+ HN      3.60 <#     2    15210.0  e   1ceaug  1897
         HB3    31 LEU  HN      6.50  #     3     1859.0  e   1ceaug  4316
         HB3    32 LEU  HG      4.90  #     5    12310.0  e   1ceaug  4322
         HG     28 LEU  QD1     4.10 <#     1M   21010.0  e   1ceaug  3022
         HG     28 LEU  QD2     6.40 >#     1M    1344.0  e   1ceaug  3021
         HG     29 LYS+ HN      7.00  #   w 5     1099.0  e   1ceaug  1902
         HG     31 LEU  HB3     5.50  #     5     7362.0  e   1ceaug  4312
         HG     32 LEU  HN      6.50  #     5     3888.0  e   1ceaug  4323
         HG     32 LEU  HB2     4.60  #     5    15680.0  e   1ceaug  4318
         HG     32 LEU  HB3     4.90  #     5    12320.0  e   1ceaug  4331
         HG     32 LEU  HG      2.90  #     5   101300.0  e   1ceaug  4325
         HG     32 LEU  QD1     8.00  #     5M    1747.0  e   1ceaug  4327
         QD1    29 LYS+ HN      8.00  #     5M    5779.0  e   1ceaug  1848
         QD2    29 LYS+ HN      8.00  #     5M    4822.0  e   1ceaug  2479
 29 LYS+ 
         HN     29 LYS+ HA      3.10  #     2    36540.0  e   1ceaug   336
         HN     29 LYS+ HB2     2.90  #     2    55890.0  e   1ceaug   338
         HN     29 LYS+ HB3     3.00  #     2    52410.0  e   1ceaug   339
         HN     29 LYS+ HG2     5.00 >#     1     2574.0  e   1ceaug   342
         HN     29 LYS+ HG3     4.30 <#     1     6881.0  e ! 1ceaug   344
         HN     29 LYS+ QD      5.60  # m   1     4101.5*2e   1ceaug  4337
         HN     29 LYS+ QE      7.50  # m   1      547.5*2e   1ceaug  3709
         HN     30 LEU  HN      3.10  #     2    38430.0  e ! 1ceaug  3850
         HN     30 LEU  HG      6.60  #     5     3566.0  e   1ceaug  4340
         HN     31 LEU  HN      5.10  #     3     4876.0  e   1ceaug  2154
         HN     31 LEU  QD2     8.00  #     5M    1315.0  e   1ceaug  5335
         HN     32 LEU  HN      5.30  #     3     4281.0  e   1ceaug  4353
         HN     32 LEU  QD2     8.00  #     5M    1316.0  e   1ceaug  5212
         HN     46 LEU  HG      7.00  #   w 5     2030.0  e   1ceaug  4371
         HN     46 LEU  QD1     7.90  #     5M    7154.0  e   1ceaug  4373
         HN     46 LEU  QD2     7.60  #     5M    8155.0  e   1ceaug  4372
         HA     29 LYS+ HB2     2.80  #     2    69460.0  e   1ceaug   348
         HA     29 LYS+ HB3     3.20  #     2    31130.0  e   1ceaug   350
         HA     29 LYS+ HG2     3.90  #     1    11460.0  e   1ceaug   352
         HA     29 LYS+ HG3     3.50  #     1    24380.0  e   1ceaug   353
         HA     29 LYS+ QD      8.00  # m w 1      129.5*2e   1ceaug  1082
         HA     30 LEU  HN      3.90  #     2    10380.0  e   1ceaug  1234
         HA     30 LEU  HA      5.50  #     2     1296.0  e   1ceaug  4343
         HA     31 LEU  HN      7.00  #   w 3      606.0  e   1ceaug  1556
         HA     32 LEU  HN      4.30  #     3     9834.0  e   1ceaug   355
         HA     32 LEU  QD1     6.40  #     5M   16340.0  e   1ceaug  4355
         HA     33 GLN  HN      5.20  #     3     4400.0  e   1ceaug   357
         HA     40 LEU  QD1     7.80  #     5M    7267.0  e   1ceaug  4361
         HA     46 LEU  QD1     6.50  #     5M   15790.0  e   1ceaug  2196
         HA     46 LEU  QD2     6.70  #     5M   13730.0  e   1ceaug  4374
         HB2    29 LYS+ HG2     3.50  #     1    24580.0  e   1ceaug   364
         HB2    29 LYS+ HG3     3.10  #     1    49760.0  e   1ceaug   366
         HB2    29 LYS+ QD      4.10  # m   1    47070.0*2e   1ceaug  3034
         HB2    30 LEU  HN      3.70  #     2    13020.0  e   1ceaug   367
         HB2    46 LEU  QD1     6.90  #     5M   11800.0  e   1ceaug  5309
         HB2    46 LEU  QD2     6.00  #     5M   21250.0  e   1ceaug  5310
         HB3    29 LYS+ HG2     4.00  #     1    10810.0  e   1ceaug   370
         HB3    29 LYS+ HG3     4.00  #     1    10660.0  e   1ceaug   372
         HB3    29 LYS+ QD      4.30  # m   1    31450.0*2e   1ceaug  3030
         HB3    29 LYS+ QE      6.00  # m   1     2650.5*2e   1ceaug  3028
         HB3    30 LEU  HN      3.30  #     2    27200.0  e   1ceaug  1904
         HB3    46 LEU  QD1     7.50  #     5M    8868.0  e   1ceaug  4378
         HB3    46 LEU  QD2     8.00  #     5M    5086.0  e   1ceaug  4377
         HG2    29 LYS+ QD      4.80  # m   1    13195.0*2e   1ceaug  3036
         HG2    30 LEU  HN      7.00  #   w 5     2477.0  e   1ceaug  1909
         HG2    30 LEU  HA      7.00  #   w 5     1103.0  e   1ceaug  4345
         HG2    30 LEU  HG      4.60  #     5    15080.0  e   1ceaug  4346
         HG2    30 LEU  QD1     8.00  #     5M    6315.0  e   1ceaug  4348
         HG2    30 LEU  QD2     7.90  #     5M    6958.0  e   1ceaug  5334
         HG2    46 LEU  QD1     6.10  #     5M   19760.0  e   1ceaug  4382
         HG2    46 LEU  QD2     5.90  #     5M   23280.0  e   1ceaug  4381
         HG3    29 LYS+ QD      4.30  # m   1    31810.0*2e   1ceaug  3035
         HG3    40 LEU  QD1     8.00  #     5M    2556.0  e   1ceaug  4369
         HG3    40 LEU  QD2     8.00  #     5M    4388.0  e   1ceaug  4365
         HG3    46 LEU  QD1     8.00  #     5M    6634.0  e   1ceaug  4383
         HG3    46 LEU  QD2     6.10  #     5M   19790.0  e   1ceaug  4379
         QD     29 LYS+ QE      5.70  # mm  1    16937.5*4e   1ceaug  3032
         QD     30 LEU  HN      7.50  # m   5     3844.0*2e   1ceaug  4344
         QE     46 LEU  QD1     9.00 ># m   5M     740.5*2e   1ceaug  5336
         QE     46 LEU  QD2     9.00 <# m   5M    3373.0*2e   1ceaug  4376
 30 LEU  
         HN     30 LEU  HA      3.10  #     2    43390.0  e   1ceaug   380
         HN     30 LEU  HB2     3.30  #     2    26040.0  e   1ceaug   382
         HN     30 LEU  HB3     3.80  #     2    12480.0  e   1ceaug   384
         HN     30 LEU  HG      3.20  #     1    39050.0  e   1ceaug  1087
         HN     30 LEU  QD1     5.00  #     1M    5957.0  e   1ceaug  5271
         HN     30 LEU  QD2     4.90  #     1M    6717.0  e   1ceaug  3043
         HN     31 LEU  HN      3.10  #     2    40340.0  e   1ceaug   385
         HN     32 LEU  HN      6.60  #     3     1682.0  e   1ceaug  4393
         HA     30 LEU  HB2     3.20  #     2    32520.0  e   1ceaug   387
         HA     30 LEU  HB3     3.20  #     2    33250.0  e   1ceaug   389
         HA     30 LEU  HG      3.50  #     1    23550.0  e   1ceaug  3044
         HA     30 LEU  QD1     4.40  #     1M   12160.0  e   1ceaug  3042
         HA     30 LEU  QD2     4.70  #     1M    9148.0  e   1ceaug  1085
         HA     31 LEU  HN      4.00  #     2     8866.0  e   1ceaug  1235
         HA     32 LEU  HN      7.00  #   w 3         .0  e   1ceaug  4395
         HA     33 GLN  HN      4.10  #     3    11340.0  e   1ceaug  1471
         HA     33 GLN  HB2     4.10  #     3    11630.0  e   1ceaug  4397
         HA     33 GLN  HB3     3.80  #     3    15520.0  e   1ceaug  5311
         HB2    30 LEU  HG      3.20  #     1    36180.0  e   1ceaug  3057
         HB2    30 LEU  QD1     3.80  #     1M   29950.0  e   1ceaug  3059
         HB2    30 LEU  QD2     3.80  #     1M   29640.0  e   1ceaug  3058
         HB2    31 LEU  HN      3.30  #     2    26480.0  e   1ceaug  4304
         HB2    31 LEU  HA      4.40  #     2     4556.0  e   1ceaug  4389
         HB3    30 LEU  QD1     3.70  #     1M   37250.0  e   1ceaug  3054
         HB3    30 LEU  QD2     3.80  #     1M   31730.0  e   1ceaug  3049
         HB3    31 LEU  HN      3.40  #     2    22090.0  e   1ceaug  1511
         HB3    31 LEU  HA      5.00  #     2     2212.0  e   1ceaug  4391
         HG     30 LEU  QD1     3.80  #     1M   30210.0  e   1ceaug  3048
         HG     30 LEU  QD2     3.80  #     1M   33680.0  e   1ceaug  3047
         HG     31 LEU  HN      4.20  #     5    22600.0  e ! 1ceaug  3712
         QD1    31 LEU  HN      8.00  #     5M    5507.0  e   1ceaug  3711
         QD1    33 GLN  HE21    8.00  #     5M    2389.0  e   1ceaug  1924
         QD1    33 GLN  HE22    8.00  #     5M    2167.0  e   1ceaug  5009
         QD2    31 LEU  HN      8.00  #     5M    6499.0  e   1ceaug  3710
         QD2    33 GLN  HE21    8.00  #     5M    1140.0  e   1ceaug  5332
         QD2    33 GLN  HE22    8.00  #     5M    1263.0  e   1ceaug  5275
 31 LEU  
         HN     31 LEU  HA      3.20  #     2    35030.0  e   1ceaug   394
         HN     31 LEU  HB2     2.90  #     2    60790.0  e   1ceaug   395
         HN     31 LEU  HB3     2.80  #     2    70800.0  e   1ceaug  1509
         HN     31 LEU  HG      4.30  #     1     6432.0  e   1ceaug  3079
         HN     31 LEU  QD1     5.10  #     1M    5008.0  e   1ceaug  3074
         HN     31 LEU  QD2     5.40  #     1M    3698.0  e   1ceaug  3069
         HN     32 LEU  HN      3.50  #     2    18420.0  e   1ceaug   398
         HN     33 GLN  HN      5.70  #     3     3170.0  e   1ceaug   399
         HA     31 LEU  HB2     3.00 <#     2    45840.0  e   1ceaug   402
         HA     31 LEU  HB3     3.60 >#     2    16860.0  e   1ceaug   403
         HA     31 LEU  HG      2.90  #     1    66230.0  e   1ceaug  3066
         HA     31 LEU  QD1     5.40  #     1M    3532.0  e   1ceaug  3068
         HA     31 LEU  QD2     4.70  #     1M    8362.0  e   1ceaug  3067
         HA     32 LEU  HN      4.40  #     2     4579.0  e   1ceaug  1236
         HA     34 THR  HB      3.70  #     3    17160.0  e   1ceaug  2494
         HA     35 GLU- HN      4.20  #     3    11040.0  e   1ceaug  2153
         HA     35 GLU- HB2     3.40  #     3    25880.0  e   1ceaug  5042
         HA     35 GLU- HB3     3.60  #     3    24880.0  e   1ceaug  5041
         HB2    31 LEU  QD1     3.90  #     1M   26330.0  e   1ceaug  3076
         HB2    31 LEU  QD2     4.00  #     1M   23340.0  e   1ceaug  3071
         HB2    32 LEU  HN      3.40  #     2    21830.0  e   1ceaug  4469
         HB2    33 GLN  HN      6.40  #     3     1925.0  e   1ceaug   408
         HB3    31 LEU  HG      4.40  #     1     5844.0  e   1ceaug  3061
         HB3    31 LEU  QD1     3.90  #     1M   26170.0  e   1ceaug  3075
         HB3    31 LEU  QD2     4.10  #     1M   18910.0  e   1ceaug  3070
         HB3    32 LEU  HN      2.90  #     2    54490.0  e   1ceaug  1500
         HG     31 LEU  QD1     3.30  #   s 1M  101100.0  e   1ceaug  4474
         HG     31 LEU  QD2     3.30  #   s 1M  177300.0  e   1ceaug  3072
         QD1    32 LEU  HN      8.00  #     5M    4546.0  e   1ceaug  4470
         QD1    66 PHE  QD     10.00  # r   5M    5970.0*2e   1ceaug  1575
         QD1    66 PHE  QE      8.10 <# r   5M   20590.0*2e   1ceaug  4937
         QD2    35 GLU- HN      8.00  #     5M    2194.0  e   1ceaug  5222
         QD2    35 GLU- HB2     6.80  #     5M   12910.0  e   1ceaug  2163
         QD2    35 GLU- HB3     6.70  #     5M   13850.0  e   1ceaug  2162
         QD2    36 PHE  QE     10.00  # r   5M    6090.0*2e   1ceaug  1926
         QD2    66 PHE  QD      9.40  # r   5M    8970.0*2e   1ceaug  4938
         QD2    66 PHE  QE     10.00 ># r   5M    6760.0*2e   1ceaug  4940
 32 LEU  
         HN     32 LEU  HA      3.10  #     2    38760.0  e   1ceaug  1091
         HN     32 LEU  HB2     2.80 <#     2    77210.0  e   1ceaug  1092
         HN     32 LEU  HB3     3.80 >#     2    12210.0  e   1ceaug  1093
         HN     32 LEU  HG      3.10  #     1    47380.0  e   1ceaug  3841
         HN     32 LEU  QD1     4.30  #     1M   15010.0  e   1ceaug  3098
         HN     32 LEU  QD2     3.80  #     1M   29510.0  e   1ceaug  3094
         HN     33 GLN  HN      3.00  #     2    46790.0  e   1ceaug   409
         HN     34 THR  HN      6.60  #     3     1715.0  e   1ceaug  5157
         HN     34 THR  QG2     8.00  #     5M    2200.0  e   1ceaug  1490
         HN     35 GLU- HB2     5.60  #     3     3291.0  e   1ceaug  5171
         HN     40 LEU  QD1     8.00  #     5M    3458.0  e   1ceaug  4100
         HA     32 LEU  HB2     3.60  #     2    15120.0  e   1ceaug  3081
         HA     32 LEU  HB3     3.30  #     2    26920.0  e   1ceaug  3082
         HA     32 LEU  HG      3.70  #     1    16440.0  e   1ceaug  5299
         HA     32 LEU  QD1     4.90 >#     1M    6932.0  e   1ceaug  1095
         HA     32 LEU  QD2     3.30 <#   s 1M  121000.0  e   1ceaug  1094
         HA     33 GLN  HN      3.90  #     2     9978.0  e   1ceaug  1237
         HA     35 GLU- HN      5.40  #     3     3727.0  e   1ceaug  5174
         HA     36 PHE  HN      3.30  #     3    29090.0  e   1ceaug  2165
         HA     36 PHE  HB2     3.90 <#     3    14200.0  e   1ceaug  2497
         HA     36 PHE  HB3     5.40 >#     3     3847.0  e   1ceaug  2499
         HA     36 PHE  QD      7.70  # r   5     6830.0*2e   1ceaug  5044
         HA     37 PRO  HA      5.20  #     4     1391.0  e   1ceaug  4963
         HB2    32 LEU  HG      2.70 <#     1   115800.0  e   1ceaug  5300
         HB2    32 LEU  QD1     3.50  #     1M   51720.0  e   1ceaug  3099
         HB2    32 LEU  QD2     3.90  #     1M   27710.0  e   1ceaug  3095
         HB2    33 GLN  HN      3.30 <#     2    25040.0  e   1ceaug  4401
         HB2    37 PRO  HA      7.00  #   w 5      809.0  e   1ceaug  4964
         HB3    32 LEU  HG      3.40 >#     1    26460.0  e   1ceaug  3843
         HB3    32 LEU  QD1     3.50  #     1M   52030.0  e   1ceaug  3100
         HB3    32 LEU  QD2     3.80  #     1M   32250.0  e   1ceaug  3096
         HB3    33 GLN  HN      4.10 >#     2     7351.0  e   1ceaug  3847
         HB3    37 PRO  HA      7.00  #   w 5     1847.0  e   1ceaug  4965
         HB3    40 LEU  HN      7.00  #   w 5         .0  e   1ceaug  5374
         HB3    40 LEU  HB3     7.00  #   w 5     2019.0  e   1ceaug  5378
         HG     32 LEU  QD1     3.50  #     1M   48620.0  e   1ceaug  3845
         HG     32 LEU  QD2     3.30  #   s 1M   87060.0  e   1ceaug  3844
         HG     69 LEU  QD2     8.00  #     5M    1007.0  e   1ceaug  4983
         QD1    33 GLN  HN      8.00 <#     5M    4840.0  e   1ceaug  4844
         QD1    36 PHE  QD     10.00 ># r   5M    5075.0*2e ! 1ceaug  1598
         QD1    40 LEU  HB2     8.00  #     5M     858.0  e   1ceaug  5379
         QD1    40 LEU  HB3     8.00  #     5M    1806.0  e   1ceaug  5377
         QD2    33 GLN  HN      8.00 >#     5M    1745.0  e   1ceaug  3848
         QD2    36 PHE  HN      7.50  #     5M    8505.0  e   1ceaug  5220
         QD2    36 PHE  HB2     5.40  #     5M   31920.0  e   1ceaug  1712
         QD2    36 PHE  HB3     6.90  #     5M   11940.0  e   1ceaug  1707
         QD2    36 PHE  QD      8.00 <# r   5M   21505.0*2e   1ceaug  1524
         QD2    69 LEU  QD1     5.60  # m   5M   64410.0  e   1ceaug  5031
         QD2    69 LEU  QD2     5.50  # m   5M   65820.0  e   1ceaug  5030
 33 GLN  
         HN     33 GLN  HA      3.20  #     2    32530.0  e   1ceaug   411
         HN     33 GLN  HB2     3.20 <#     2    35420.0  e   1ceaug  1211
         HN     33 GLN  HB3     4.00 >#     2     8598.0  e   1ceaug  1212
         HN     33 GLN  HG2     5.10 >#     1     2339.0  e   1ceaug  3113
         HN     33 GLN  HG3     3.90 <#     1    12210.0  e   1ceaug  3117
         HN     33 GLN  HE21    6.20  #     1      719.0  e   1ceaug  4475
         HN     34 THR  HN      3.20  #     2    32280.0  e   1ceaug  3634
         HN     35 GLU- HN      4.50  #     3     7902.0  e   1ceaug  4403
         HN     40 LEU  QD1     6.80  #     5M   12550.0  e   1ceaug  1494
         HA     33 GLN  HB2     3.80  #     2    12450.0  e   1ceaug  1098
         HA     33 GLN  HB3     3.20  #     2    30380.0  e   1ceaug  3104
         HA     33 GLN  HG2     3.80 <#     1    13260.0  e   1ceaug  3111
         HA     33 GLN  HG3     5.70 >#     1     1156.0  e   1ceaug  1096
         HA     34 THR  HN      3.90  #     2    10550.0  e   1ceaug   413
         HA     37 PRO  HA      3.10  #     3    38360.0  e   1ceaug  4404
         HA     37 PRO  HB2     6.20  #     3     2142.0  e   1ceaug  4406
         HA     37 PRO  HB3     6.80  #     3     1509.0  e   1ceaug  4407
         HA     40 LEU  QD1     6.50  #     5M   15130.0  e   1ceaug  4414
         HB2    33 GLN  HG2     3.10  #     1    50200.0  e   1ceaug  3106
         HB2    33 GLN  HG3     3.40  #     1    29300.0  e   1ceaug  2098
         HB2    34 THR  HN      3.50  #     2    18000.0  e   1ceaug  3635
         HB3    33 GLN  HG2     3.20  #     1    41380.0  e   1ceaug  2100
         HB3    33 GLN  HG3     3.50  #     1    23320.0  e   1ceaug  2099
         HB3    34 THR  HN      3.70  #     2    12930.0  e   1ceaug  3840
         HG2    33 GLN  HE21    4.10  #     1     8540.0  e   1ceaug  1940
         HG2    33 GLN  HE22    4.60  #     1     4399.0  e   1ceaug  2092
         HG2    34 THR  HN      7.00  #   w 5      269.0  e   1ceaug  3839
         HG2    37 PRO  HA      5.90  #     5     5847.0  e   1ceaug  4970
         HG2    40 LEU  QD1     8.00  #     5M    6851.0  e   1ceaug  4417
         HG3    33 GLN  HE21    4.40  #     1     5565.0  e   1ceaug  1941
         HG3    33 GLN  HE22    4.30  #     1     6629.0  e   1ceaug  2093
         HG3    34 THR  HN      7.00  #   w 5      410.0  e   1ceaug  3838
         HG3    37 PRO  HA      7.00  #   w 5     2504.0  e   1ceaug  4969
         HG3    40 LEU  QD1     7.50  #     5M    8682.0  e   1ceaug  4418
         HE21   40 LEU  QD1     8.00  #     5M     985.0  e   1ceaug  5276
         HE21   40 LEU  QD2     8.00  #     5M    1709.0  e   1ceaug  4420
         HE22   40 LEU  QD1     8.00  #     5M    1670.0  e   1ceaug  5208
 34 THR  
         HN     34 THR  HA      3.30  #     2    27660.0  e   1ceaug   416
         HN     34 THR  HB      3.30  #     2    28200.0  e   1ceaug  1101
         HN     34 THR  QG2     4.70  #     1M    8948.0  e   1ceaug  3123
         HN     35 GLU- HN      3.10  #     2    36470.0  e   1ceaug  3605
         HN     35 GLU- HB2     6.40  #     2      495.0  e   1ceaug  4421
         HN     35 GLU- HG2     7.00  #   w 5     1729.0  e   1ceaug  4422
         HN     36 PHE  HN      4.40  #     3     8550.0  e   1ceaug  2520
         HA     34 THR  HB      3.10  #     2    38830.0  e   1ceaug  3121
         HA     34 THR  QG2     3.60  #     1M   42340.0  e   1ceaug  3119
         HA     35 GLU- HN      4.00  #     2     8946.0  e   1ceaug   417
         HB     34 THR  QG2     3.50  #     1M   55730.0  e   1ceaug  3122
         HB     35 GLU- HN      3.70  #     2    13020.0  e   1ceaug  2521
         QG2    35 GLU- HN      6.50  #     5M   15120.0  e   1ceaug  3836
 35 GLU- 
         HN     35 GLU- HA      3.60  #     2    15790.0  e   1ceaug   420
         HN     35 GLU- HB2     3.90 >#     2    10140.0  e   1ceaug  1102
         HN     35 GLU- HB3     3.30 <#     2    27880.0  e   1ceaug  1103
         HN     35 GLU- HG2     4.10 <#     1     9299.0  e ! 1ceaug  2144
         HN     35 GLU- HG3     5.30 >#     1     1818.0  e   1ceaug  5350
         HN     36 PHE  HN      3.10  #     2    38440.0  e ! 1ceaug  3606
         HN     36 PHE  HB2     5.50  #     2     1253.0  e ! 1ceaug  4431
         HN     36 PHE  QD      9.00  # r w 5     2113.0*2e   1ceaug  4430
         HA     35 GLU- HB2     3.00  #     2    49650.0  e   1ceaug  3131
         HA     35 GLU- HB3     2.80  #     2    70760.0  e   1ceaug  3128
         HA     35 GLU- HG2     4.60  #     1     4191.0  e   1ceaug  2147
         HA     36 PHE  HN      4.20  #     2     6528.0  e   1ceaug  4435
         HA     37 PRO  HD2     7.00  #   w 5     1814.0  e   1ceaug  2159
         HB2    35 GLU- HG2     3.40  #     1    25370.0  e   1ceaug  2149
         HB2    36 PHE  HN      5.00 >#     2     2265.0  e   1ceaug  1545
         HB2    36 PHE  QD      7.80  # r   5     6140.0*2e   1ceaug  2527
         HB3    35 GLU- HG2     3.80  #     1    12980.0  e   1ceaug  2148
         HB3    36 PHE  HN      4.20 <#     2     6460.0  e   1ceaug  4438
         HB3    36 PHE  QD      7.30  # r   5     8675.0*2e   1ceaug  5144
 36 PHE  
         HN     36 PHE  HA      3.60  #     2    15280.0  e   1ceaug  1106
         HN     36 PHE  HB2     3.60  #     2    15720.0  e   1ceaug  1104
         HN     36 PHE  HB3     4.10  #     2     7804.0  e   1ceaug  1105
         HN     36 PHE  QD      6.00  # r   1    10150.0*2e   1ceaug  3135
         HN     36 PHE  QE      7.30  # m   1      621.0*2e   1ceaug  3831
         HN     37 PRO  HA      4.50  #     2     4161.0  e   1ceaug  4439
         HN     37 PRO  HD2     4.60 <#     5    15090.0  e   1ceaug  3639
         HN     37 PRO  HD3     5.90 >#     5     5811.0  e   1ceaug  1241
         HA     36 PHE  HB2     3.80  #     2    11360.0  e   1ceaug   421
         HA     36 PHE  HB3     3.30  #     2    26960.0  e   1ceaug   423
         HA     36 PHE  QD      4.40  # m   1    26835.0*2e   1ceaug  1975
         HA     37 PRO  HD2     4.00 >#     5    26800.0  e   1ceaug  3638
         HA     37 PRO  HD3     3.20 <#     5    70840.0  e   1ceaug  3637
         HA     38 SER  HN      5.40  #     3     3801.0  e   1ceaug  1465
         HA     39 LEU  HN      7.00  #   w 3     1050.0  e   1ceaug  2169
         HB2    36 PHE  QD      5.30  # r   1    35755.0*2e   1ceaug  1565
         HB2    37 PRO  HD2     4.60  #     5    15500.0  e   1ceaug  4445
         HB2    37 PRO  HD3     7.00  #   w 5     2500.0  e   1ceaug  4443
         HB2    39 LEU  HN      6.80 >#     3     1522.0  e   1ceaug  4455
         HB2    39 LEU  QQD     9.40  #     5M    3910.5*2e   1ceaug  5259
         HB3    36 PHE  QD      5.20  # r   1    36110.0*2e   1ceaug  1564
         HB3    37 PRO  HD2     4.60  #     5    15220.0  e   1ceaug  4441
         HB3    37 PRO  HD3     5.30  #     5     8534.0  e   1ceaug  3835
         HB3    39 LEU  HN      5.10 <#     3     4976.0  e   1ceaug  1893
         HB3    39 LEU  HB2     6.90  #     5     2965.0  e   1ceaug  2172
         HB3    39 LEU  HB3     7.00  #   w 5     2097.0  e   1ceaug  2174
         HB3    39 LEU  HG      6.10  #     5     5104.0  e   1ceaug  4452
         HB3    39 LEU  QQD     9.40  #     5M    5715.0*2e   1ceaug  1706
         HB3    73 ILE  HG12    5.60  #     5     6912.0  e   1ceaug  4458
         QD     36 PHE  QE      7.00  # rr  1    59150.0*4e   1ceaug  3137
         QD     36 PHE  HZ      5.40  # r   1    26045.0*2e   1ceaug  4466
         QD     37 PRO  HD3     9.00  # r w 5     2233.0*2e   1ceaug  4446
         QD     39 LEU  HG      9.00  # r w 5     1587.5*2e   1ceaug  1929
         QD     39 LEU  QQD    11.40  # r   5M    1308.5*4e   1ceaug  2178
         QD     66 PHE  HZ      7.90  # r   5     5615.0*2e   1ceaug  4467
         QD     69 LEU  QD2    10.00  # r   5M    2994.0*2e   1ceaug  1597
         QD     73 ILE  QG2     9.10  # r   5M   10730.0*2e   1ceaug  1596
         QD     73 ILE  HG12    8.10  # r   5     4939.5*2e   1ceaug  4459
         QE     36 PHE  HZ      5.70  # r   1    15610.0*2e   1ceaug  1109
         QE     73 ILE  QG2     9.80  # r   5M    7580.0*2e   1ceaug  4465
         QE     73 ILE  HG12    8.20  # r   5     4773.5*2e   1ceaug  4463
         HZ     73 ILE  QD1     8.00  #     5M    1328.0  e   1ceaug  1516
 37 PRO  
         HA     37 PRO  HB2     3.50  #     2    20020.0  e   1ceaug   427
         HA     37 PRO  HB3     3.50  #     2    18120.0  e   1ceaug   429
         HA     37 PRO  QG      4.50  # i   1    11395.0*2e   1ceaug  1112
         HA     37 PRO  HD2     4.20 <#     1     7501.0  e   1ceaug  3149
         HA     37 PRO  HD3     5.30 >#     1     1929.0  e   1ceaug  4411
         HA     38 SER  HN      4.00  #     2     9091.0  e   1ceaug   431
         HA     38 SER  HA      4.70  #     2     3341.0  e   1ceaug  4486
         HA     39 LEU  HN      5.00  #     3     5345.0  e   1ceaug  4974
         HA     40 LEU  HN      4.60  #     3     7425.0  e   1ceaug  2057
         HA     40 LEU  HB2     7.00 >#   w 3      275.0  e   1ceaug  5318
         HA     40 LEU  HB3     7.00 <#   w 3     1208.0  e   1ceaug  4495
         HA     40 LEU  HG      4.10  #     5    24940.0  e   1ceaug  2182
         HA     40 LEU  QD1     8.00  #     5M    4355.0  e   1ceaug  2183
         HB2    37 PRO  QG      3.90  # m   1    65400.0*2e   1ceaug  3156
         HB2    37 PRO  HD2     4.80  #     1     3476.0  e   1ceaug   436
         HB2    37 PRO  HD3     5.70  #     1     1243.0  e   1ceaug  5312
         HB2    38 SER  HN      5.90  #     2      811.0  e   1ceaug  3715
         HB3    37 PRO  QG      4.30  # m   1    30460.0*2e   1ceaug  3151
         HB3    37 PRO  HD2     4.40  #     1     5677.0  e   1ceaug   440
         HB3    37 PRO  HD3     4.30  #     1     6473.0  e   1ceaug  3150
         HB3    38 SER  HN      5.10  #     2     1945.0  e   1ceaug  3716
         QG     37 PRO  HD2     4.20  # m   1    37015.0*2e   1ceaug  3152
         QG     37 PRO  HD3     4.30  # m   1    30085.0*2e   1ceaug  3153
         QG     38 SER  HN      6.40  # m   5     8315.0*2e   1ceaug  1903
         QG     38 SER  HB2     8.00  # m w 5      652.5*2e   1ceaug  4489
         HD2    38 SER  HN      6.70  #     5     3381.0  e   1ceaug  1246
         HD3    38 SER  HN      5.80  #     5     5970.0  e   1ceaug  1245
 38 SER  
         HN     38 SER  HA      3.20  #     2    30480.0  e   1ceaug   450
         HN     38 SER  HB2     3.70  #     2    13560.0  e   1ceaug  1113
         HN     38 SER  HB3     3.40  #     2    23700.0  e   1ceaug   452
         HN     39 LEU  HN      3.40  #     2    22680.0  e   1ceaug  1247
         HN     39 LEU  HB2     7.00  #   w 2      254.0  e   1ceaug  4497
         HN     40 LEU  HN      5.30  #     3     4017.0  e   1ceaug  4498
         HA     38 SER  HB2     3.70  #     2    13200.0  e   1ceaug   453
         HA     38 SER  HB3     3.30  #     2    29040.0  e   1ceaug   455
         HA     39 LEU  HN      3.90  #     2    10240.0  e   1ceaug   457
         HA     40 LEU  HN      4.70  #     3     6451.0  e   1ceaug  2058
         HA     40 LEU  HB2     7.00 >#   w 3      219.0  e   1ceaug  5317
         HA     40 LEU  HB3     7.00 <#   w 3      711.0  e   1ceaug  4500
         HA     41 LYS+ HN      6.00  #     3     2431.0  e   1ceaug  2185
         HA     41 LYS+ HB3     5.90  #     3     2696.0  e   1ceaug  4503
         HA     41 LYS+ HG2     7.00  #   w 5     1014.0  e   1ceaug  4504
         HA     41 LYS+ HG3     7.00  #   w 5         .0  e   1ceaug  5356
         HA     41 LYS+ QD      8.00  # m w 5      883.5*2e   1ceaug  5353
         HA     41 LYS+ QE      8.00  # m w 5      157.5*2e   1ceaug  5355
         HB2    39 LEU  HN      3.90 <#     2    10270.0  e   1ceaug   463
         HB2    41 LYS+ HN      7.00 >#   w 3      269.0  e   1ceaug  4507
         HB2    41 LYS+ QD      8.00 ># m w 5      862.0*2e   1ceaug  5358
         HB3    39 LEU  HN      4.70 >#     2     3362.0  e   1ceaug   467
         HB3    41 LYS+ HN      5.50 <#     3     3565.0  e   1ceaug  4506
         HB3    41 LYS+ QD      8.00 <# m w 5     2202.5*2e   1ceaug  5359
 39 LEU  
         HN     39 LEU  HA      3.10  #     2    39910.0  e   1ceaug   470
         HN     39 LEU  HB2     3.00  #     2    49220.0  e   1ceaug   473
         HN     39 LEU  HB3     3.20  #     2    31180.0  e   1ceaug   471
         HN     39 LEU  HG      4.10  #     1     9092.0  e   1ceaug  1115
         HN     39 LEU  QQD     7.60  # q   1M    4882.5*2e   1ceaug  3164
         HN     40 LEU  HN      3.10  #     2    41140.0  e   1ceaug  1248
         HN     40 LEU  HB2     6.40  #     2      506.0  e   1ceaug  4511
         HN     40 LEU  HG      5.60  #     5     6843.0  e   1ceaug  2530
         HN     41 LYS+ HN      4.30  #     3     3759.0  e   MPeaug  4515
         HA     39 LEU  HB2     3.20  #     2    35510.0  e   1ceaug   477
         HA     39 LEU  HB3     3.20  #     2    32270.0  e   1ceaug   475
         HA     39 LEU  HG      4.10  #     1     9406.0  e   1ceaug  3160
         HA     39 LEU  QQD     5.60  # s   1M   26160.0*2e   1ceaug  3163
         HA     40 LEU  HN      3.90  #     2     9306.0  e   1ceaug   479
         HA     40 LEU  HA      5.10  #     2     1914.0  e   1ceaug  4513
         HA     41 LYS+ HN      4.60  #     3     7311.0  e   1ceaug  2186
         HA     41 LYS+ HG2     7.00  #   w 5     1031.0  e   1ceaug  5361
         HA     41 LYS+ QD      8.00  # m w 5      645.0*2e   1ceaug  2187
         HA     42 GLY  HN      5.40  #     3     3844.0  e   1ceaug  5341
         HB2    39 LEU  HG      2.70  #     1   121700.0  e   1ceaug  3166
         HB2    39 LEU  QQD     5.40  #     1M   22895.0*2e   1ceaug  2167
         HB2    40 LEU  HN      3.60  #     2    16640.0  e   1ceaug  2064
         HB2    69 LEU  HG      6.80  #     5     3147.0  e   1ceaug  5363
         HB2    69 LEU  QD1     8.00  #     5M    5503.0  e   1ceaug  5364
         HB2    69 LEU  QD2     8.00  #     5M    4951.0  e   1ceaug  5365
         HB2    73 ILE  HG13    5.20  #     5     9398.0  e   1ceaug  4785
         HB2    73 ILE  QD1     8.00  #     5M    1088.0  e   1ceaug  5362
         HB3    39 LEU  QQD     5.20  #     1M   29455.0*2e   1ceaug  3162
         HB3    40 LEU  HN      3.50  #     2    19390.0  e   1ceaug  2063
         HB3    69 LEU  QD1     8.00  #     5M     841.0  e   1ceaug  5367
         HB3    69 LEU  QD2     8.00  #     5M    1155.0  e   1ceaug  5366
         HG     39 LEU  QQD     5.50  #     1M   20360.0*2e   1ceaug  2168
         HG     40 LEU  HN      7.00  #   w 5     2454.0  e   1ceaug  5368
         HG     73 ILE  QG2     8.00  #     5M     466.0  e   1ceaug  5369
         QQD    40 LEU  HN      9.40  #     5M     892.0*2e   1ceaug  2062
         QQD    72 LYS+ QB     10.40  # m   5M    1114.8*4e   1ceaug  4808
         QQD    73 ILE  HA      9.40  #     5M     374.5*2e   1ceaug  5370
         QQD    73 ILE  QG2    10.10  # m   5M    7715.0*2e   1ceaug  5371
 40 LEU  
         HN     40 LEU  HA      3.20  #     2    30040.0  e   1ceaug   486
         HN     40 LEU  HB2     3.10  #     2    39820.0  e   1ceaug  1117
         HN     40 LEU  HB3     3.60  #     2    16890.0  e   1ceaug  1116
         HN     40 LEU  HG      3.30  #     1    30810.0  e   1ceaug  1118
         HN     40 LEU  QD1     5.40  #     1M    3850.0  e   1ceaug  3175
         HN     40 LEU  QD2     5.40  #     1M    3726.0  e   1ceaug  1120
         HN     41 LYS+ HN      3.10  #     2    39060.0  e   1ceaug   488
         HN     41 LYS+ HB2     5.40  #     2     1301.0  e   1ceaug  4517
         HN     41 LYS+ HG2     7.00 >#   w 5      737.0  e   1ceaug  4518
         HN     41 LYS+ HG3     6.80 <#     5     3312.0  e   1ceaug  4522
         HN     42 GLY  HN      5.60  #     3     1866.0  e   MPeaug  4532
         HA     40 LEU  HB2     3.40  #     2    24650.0  e   1ceaug   489
         HA     40 LEU  HB3     3.20  #     2    30200.0  e   1ceaug   491
         HA     40 LEU  HG      3.70  #     1    17520.0  e   1ceaug  3181
         HA     40 LEU  QD1     5.30 >#     1M    4060.0  e   1ceaug  3174
         HA     40 LEU  QD2     3.40 <#     1M   65000.0  e   1ceaug  1686
         HA     41 LYS+ HN      3.90  #     2     9474.0  e   1ceaug   493
         HA     41 LYS+ HG2     7.00  #   w 5     1006.0  e   1ceaug  4527
         HA     41 LYS+ HG3     7.00  #   w 5     1451.0  e   1ceaug  4526
         HA     42 GLY  HN      4.80  #     3     6303.0  e   1ceaug  4533
         HA     42 GLY  HA1     7.00  #   w 3      670.0  e   1ceaug  4535
         HA     49 LEU  QD1     8.00  #     5M     158.0  e   1ceaug  5376
         HB2    40 LEU  HG      3.10  #     1    44000.0  e   1ceaug  3179
         HB2    40 LEU  QD1     3.80  #     1M   30830.0  e   1ceaug  2024
         HB2    40 LEU  QD2     3.90  #     1M   28010.0  e   1ceaug  2025
         HB2    41 LYS+ HN      3.80  #     2    11720.0  e   1ceaug  4529
         HB3    40 LEU  HG      3.20  #     1    41330.0  e   1ceaug  3180
         HB3    40 LEU  QD1     3.40  #     1M   66860.0  e   1ceaug  2023
         HB3    40 LEU  QD2     3.60  #     1M   40130.0  e   1ceaug  2022
         HB3    41 LYS+ HN      7.00  #   w 2         .0  e   1ceaug  4528
         HB3    49 LEU  QD1     8.00  #     5M     932.0  e ! 1ceaug  5380
         HG     40 LEU  QD1     3.80  #     1M   29870.0  e   1ceaug  2027
         HG     40 LEU  QD2     3.40  #     1M   64660.0  e   1ceaug  2026
         HG     41 LYS+ HN      4.60  #     5    16290.0  e   1ceaug  4530
         QD1    41 LYS+ HN      8.00 >#     5M     493.0  e   1ceaug  4521
         QD2    41 LYS+ HN      6.20 <#     5M   19030.0  e   1ceaug  2050
         QD2    45 THR  HA      8.00  #     5M     107.0  e   1ceaug  5383
         QD2    45 THR  HB      8.00  #     5M     140.0  e   1ceaug  5382
         QD2    46 LEU  HN      8.00  #     5M    2687.0  e   1ceaug  5351
         QD2    46 LEU  HA      8.00  #     5M     441.0  e   1ceaug  5352
         QD2    46 LEU  QD2     7.10  # m   5M   20130.0  e   1ceaug  5381
 41 LYS+ 
         HN     41 LYS+ HA      3.10  #     2    42860.0  e   1ceaug   498
         HN     41 LYS+ HB2     3.00 <#     2    46960.0  e   1ceaug  1123
         HN     41 LYS+ HB3     3.70 >#     2    13110.0  e   1ceaug  1122
         HN     41 LYS+ HG2     3.80  #     1    14010.0  e   1ceaug  1124
         HN     41 LYS+ HG3     4.10  #     1     9438.0  e   1ceaug  1125
         HN     41 LYS+ QD      5.70  # m   1     4068.0*2e   1ceaug  1126
         HN     41 LYS+ QE      8.00  # m w 1      276.5*2e   1ceaug  3222
         HN     42 GLY  HN      3.40  #     2    24880.0  e   1ceaug  3688
         HA     41 LYS+ HB2     3.70  #     2    12900.0  e   1ceaug  2032
         HA     41 LYS+ HB3     3.30  #     2    26890.0  e   1ceaug  2033
         HA     41 LYS+ HG2     4.20  #     1     7796.0  e   1ceaug  2029
         HA     41 LYS+ HG3     4.00  #     1    10560.0  e   1ceaug  2030
         HA     41 LYS+ QD      5.30  # m   1     6910.0*2e   1ceaug  2031
         HA     41 LYS+ QE      8.00  # m w 1      124.0*2e   1ceaug  3192
         HA     42 GLY  HN      3.70  #     2    13560.0  e   1ceaug   499
         HA     42 GLY  HA1     5.20  #     2     1655.0  e   1ceaug  4543
         HB2    41 LYS+ HG2     3.40  #     1    27880.0  e   1ceaug  3214
         HB2    41 LYS+ HG3     3.10  #     1    48930.0  e   1ceaug  3201
         HB2    41 LYS+ QD      3.90 <# m   1    74450.0*2e   1ceaug  3200
         HB2    41 LYS+ QE      5.30 <# m   1     6365.0*2e   1ceaug  3219
         HB2    42 GLY  HN      4.50 >#     2     4240.0  e   1ceaug  1869
         HB2    42 GLY  HA2     6.20  #     2      611.0  e   1ceaug  4548
         HB3    41 LYS+ HG2     3.20  #     1    38350.0  e   1ceaug  3197
         HB3    41 LYS+ HG3     3.40  #     1    29130.0  e   1ceaug  3196
         HB3    41 LYS+ QD      4.80 ># m   1    14410.0*2e   1ceaug  3195
         HB3    41 LYS+ QE      8.00 ># m w 1      106.0*2e   1ceaug  3220
         HB3    42 GLY  HN      3.70 <#     2    13140.0  e   1ceaug  2053
         HG2    41 LYS+ QD      4.30  # m   1    32920.0*2e   1ceaug  3215
         HG2    41 LYS+ QE      6.40  # m   1     1583.0*2e   1ceaug  3221
         HG3    41 LYS+ QD      4.70  # m   1    16715.0*2e   1ceaug  3210
         HG3    41 LYS+ QE      6.10  # m   1     2249.0*2e   1ceaug  3719
         QD     41 LYS+ QE      5.70  # mm  1    15340.0*4e   1ceaug  3718
         QD     42 GLY  HN      8.00  # m w 5     1044.0*2e   1ceaug  3720
 42 GLY  
         HN     42 GLY  HA1     3.10  #     2    42700.0  e   1ceaug   504
         HN     42 GLY  HA2     3.10  #     2    44030.0  e   1ceaug   502
         HN     43 MET  HN      5.00  #     2     5503.0  e   MPeaug  3642
         HA1    43 MET  HN      3.20  #     2    31980.0  e   1ceaug   509
         HA2    43 MET  HN      3.40  #     2    23720.0  e   1ceaug   507
         HA2    44 SER  HN      7.00  #   w 3     1036.0  e   1ceaug  4846
 43 MET  
         HN     43 MET  HA      4.20  #     2     6010.0  e   1ceaug  1365
         HN     43 MET  HB2     3.50 <#     2    17700.0  e   1ceaug  1369
         HN     43 MET  HB3     4.20 >#     2     6174.0  e   1ceaug  1368
         HN     43 MET  HG2     4.90  #     1     2858.0  e   1ceaug  3721
         HN     43 MET  HG3     5.00  #     1     2492.0  e   1ceaug  4552
         HN     44 SER  HN      5.0   #     2     fffff   e   MP
         HA     43 MET  HB2     3.70  #     2    13150.0  e   1ceaug  2040
         HA     43 MET  HB3     3.50  #     2    20760.0  e   1ceaug  2039
         HA     43 MET  HG2     4.80  #     1     3367.0  e   1ceaug  2038
         HA     43 MET  HG3     5.10  #     1     2270.0  e   1ceaug  2037
         HA     44 SER  HN      3.60  #     2    16220.0  e   1ceaug  1374
         HA     45 THR  HN      5.60  #     3     3302.0  e   1ceaug  4847
         HB2    43 MET  HG2     3.60  #     1    18000.0  e   1ceaug  3227
         HB2    43 MET  HG3     3.70  #     1    17020.0  e   1ceaug  3226
         HB2    44 SER  HN      3.40 <#     2    21070.0  e   1ceaug  1373
         HB3    43 MET  HG2     3.70  #     1    15320.0  e   1ceaug  3225
         HB3    43 MET  HG3     3.90  #     1    11780.0  e   1ceaug  3224
         HB3    44 SER  HN      4.30 >#     2     5557.0  e   1ceaug  1372
         HG3    44 SER  HN      7.00  #   w 5      620.0  e   1ceaug  2055
 44 SER  
         HN     44 SER  HA      3.70  #     2    13100.0  e   1ceaug   514
         HN     44 SER  HB2     3.50 <#     2    19120.0  e   1ceaug  1253
         HN     44 SER  HB3     4.60 >#     2     3636.0  e   1ceaug  3229
         HN     45 THR  HN      4.00  #     2     8045.0  e   1ceaug  3643
         HA     44 SER  HB2     3.70  #     2    12740.0  e   1ceaug   515
         HA     44 SER  HB3     3.30  #     2    27640.0  e   1ceaug   517
         HA     45 THR  HN      3.00  #     2    46470.0  e   1ceaug   519
         HB2    45 THR  HN      4.60  #     2     3546.0  e   1ceaug  1375
         HB2    48 GLU- HB2     6.40  #     5     4192.0  e   1ceaug  4559
         HB2    48 GLU- HB3     6.20  #     5     4550.0  e   1ceaug  4557
         HB2    49 LEU  HA      5.40  #     5     8373.0  e   1ceaug  4569
         HB2    49 LEU  HB3     7.00  #   w 5      600.0  e   1ceaug  5385
         HB2    49 LEU  QD1     8.00  #     5M    2539.0  e   1ceaug  4571
         HB3    45 THR  HN      4.60  #     2     3731.0  e   1ceaug  1376
         HB3    48 GLU- HB2     6.10  #     5     4891.0  e   1ceaug  4560
         HB3    48 GLU- HB3     6.50  #     5     3828.0  e   1ceaug  4563
         HB3    49 LEU  HN      7.00  #   w 5     1874.0  e   1ceaug  4565
         HB3    49 LEU  HA      4.70  #     5    14820.0  e   1ceaug  4568
         HB3    49 LEU  QD1     8.00  #     5M     604.0  e   1ceaug  5384
 45 THR  
         HN     45 THR  HA      3.30  #     2    27290.0  e   1ceaug   524
         HN     45 THR  HB      3.70  #     2    14260.0  e   1ceaug  1250
         HN     45 THR  QG2     3.60  #     1M   40310.0  e   1ceaug  1251
         HN     46 LEU  HN      4.60  #     2     3544.0  e   MPeaug  3644
         HN     47 ASP- HN      6.70  #     3     1592.0  e   1ceaug  4583
         HN     48 GLU- HN      5.40  #     3     3946.0  e   1ceaug  4587
         HN     48 GLU- HB2     4.80  #     3     5932.0  e   1ceaug  2067
         HN     48 GLU- HB3     4.50  #     3     7688.0  e   1ceaug  2068
         HN     48 GLU- HG2     7.00  #   w 5     1714.0  e   1ceaug  2069
         HN     48 GLU- HG3     7.00  #   w 5     2095.0  e   1ceaug  2070
         HN     49 LEU  HN      5.20  #     3     4543.0  e   1ceaug  2072
         HA     45 THR  HB      3.30  #     2    28750.0  e   1ceaug  3232
         HA     45 THR  QG2     3.40  #     1M   59050.0  e   1ceaug  1693
         HA     46 LEU  HN      3.00  #     2    50440.0  e   1ceaug   525
         HA     46 LEU  HA      5.40  #     2     1348.0  e   1ceaug  4581
         HA     47 ASP- HN      6.40  #     3     1941.0  e   1ceaug  1887
         HA     48 GLU- HN      6.70  #     3     1600.0  e   1ceaug  4588
         HB     45 THR  QG2     3.30  #   s 1M   79870.0  e   1ceaug  1694
         HB     46 LEU  HN      3.10  #     2    36550.0  e   1ceaug  1291
         HB     47 ASP- HN      4.20  #     3    11090.0  e   1ceaug  1470
         HB     47 ASP- HB2     7.00  #   w 5         .0  e   1ceaug  4585
         HB     48 GLU- HN      5.30  #     3     4167.0  e   1ceaug  4589
         QG2    46 LEU  HN      7.60  #     5M    8183.0  e   1ceaug  1292
         QG2    47 ASP- HN      8.00  #     5M    1765.0  e   1ceaug  5245
         QG2    48 GLU- HN      8.00  #     5M     801.0  e   1ceaug  4590
         QG2    48 GLU- HG3     8.00  #     5M    1875.0  e   1ceaug  4597
 46 LEU  
         HN     46 LEU  HA      3.30  #     2    25170.0  e   1ceaug   528
         HN     46 LEU  HB2     3.10  #     2    44060.0  e   1ceaug  1286
         HN     46 LEU  HB3     2.90  #     2    54430.0  e   1ceaug  1285
         HN     46 LEU  HG      4.80  #     1     3439.0  e   1ceaug  1287
         HN     46 LEU  QD1     5.50  #     1M    3247.0  e   1ceaug  1288
         HN     46 LEU  QD2     5.40  #     1M    3732.0  e   1ceaug  3723
         HN     47 ASP- HN      3.30  #     2    26420.0  e   1ceaug  3645
         HN     48 GLU- HN      6.40  #     3     1954.0  e   1ceaug  4602
         HN     49 LEU  HN      6.50  #     3     1806.0  e   1ceaug  4604
         HN     49 LEU  QD2     8.00  #     5M     337.0  e   1ceaug  4606
         HA     46 LEU  HB2     3.20 <#     2    35210.0  e   1ceaug   531
         HA     46 LEU  HB3     4.10 >#     2     7816.0  e   1ceaug   534
         HA     46 LEU  HG      4.20  #     1     7791.0  e   1ceaug   535
         HA     46 LEU  QD1     3.60 <#     1M   47300.0  e   1ceaug  3238
         HA     46 LEU  QD2     4.30 >#     1M   14010.0  e   1ceaug  3728
         HA     47 ASP- HN      3.80  #     2    10730.0  e   1ceaug   537
         HA     47 ASP- HA      5.60  #     2     1126.0  e   1ceaug  4598
         HA     49 LEU  HN      4.60  #     3     7198.0  e   1ceaug  2194
         HA     49 LEU  HB3     4.50  #     3     8043.0  e   1ceaug  4607
         HB2    46 LEU  HG      3.20  #     1    37990.0  e   1ceaug   541
         HB2    46 LEU  QD1     3.70  #     1M   34030.0  e   1ceaug  3241
         HB2    46 LEU  QD2     3.70  #     1M   35400.0  e   1ceaug  3730
         HB2    47 ASP- HN      3.80  #     2    12430.0  e   1ceaug   543
         HB2    47 ASP- HA      5.40  #     2     1380.0  e   1ceaug  4601
         HB3    46 LEU  HG      2.90  #     1    73590.0  e   1ceaug   546
         HB3    46 LEU  QD1     3.70  #     1M   36640.0  e   1ceaug  3235
         HB3    46 LEU  QD2     3.80  #     1M   32800.0  e   1ceaug  3726
         HB3    47 ASP- HN      3.20  #     2    30140.0  e   1ceaug   547
         HB3    47 ASP- HA      5.50  #     2     1252.0  e   1ceaug  4600
         HG     46 LEU  QD1     3.70  #     1M   38770.0  e   1ceaug  3242
         HG     46 LEU  QD2     3.90  #     1M   28310.0  e   1ceaug  3731
         HG     47 ASP- HN      5.80  #     5     6320.0  e   1ceaug  3735
         QD1    47 ASP- HN      6.50  #     5M   15810.0  e   1ceaug  1539
         QD1    50 PHE  HN      8.00  #     5M    1348.0  e   1ceaug  5218
         QD2    47 ASP- HN      6.90  #     5M   12420.0  e   1ceaug  3736
 47 ASP- 
         HN     47 ASP- HA      3.50  #     2    18210.0  e   1ceaug   550
         HN     47 ASP- HB2     3.00  #     2    44440.0  e   1ceaug  1151
         HN     47 ASP- HB3     3.50  #     2    18120.0  e   1ceaug  1150
         HN     48 GLU- HN      3.20  #     2    30950.0  e   1ceaug  1284
         HN     49 LEU  HN      4.30  #     3     9564.0  e ! 1ceaug  4609
         HN     50 PHE  HN      5.90  #     3     2682.0  e   1ceaug  4611
         HN     51 GLU- HN      7.00  #   w 3     1215.0  e   1ceaug  4620
         HA     47 ASP- HB2     3.40  #     2    21680.0  e   1ceaug   551
         HA     47 ASP- HB3     3.30  #     2    26520.0  e   1ceaug   553
         HA     48 GLU- HN      4.30  #     2     5786.0  e   1ceaug   555
         HA     49 LEU  HN      7.00  #   w 3      792.0  e   1ceaug  4610
         HA     50 PHE  HN      4.20  #     3    10430.0  e   1ceaug  2200
         HA     50 PHE  HB2     3.10 <#     3    34700.0  e   1ceaug  4615
         HA     50 PHE  HB3     4.40 >#     3     9124.0  e   1ceaug  1747
         HA     51 GLU- HN      7.00  #   w 3      968.0  e   1ceaug  2014
         HA     51 GLU- HB2     5.10 <#     3     4713.0  e   1ceaug  4622
         HA     51 GLU- HB3     7.00 >#   w 3     1287.0  e   1ceaug  4623
         HB2    48 GLU- HN      3.40  #     2    24220.0  e   1ceaug  1896
         HB3    48 GLU- HN      3.60  #     2    14830.0  e   1ceaug  1895
         HB3    50 PHE  HN      6.90  #     3     1406.0  e   1ceaug  4617
         HB3    50 PHE  QD      9.00  # r w 5     2155.0*2e   1ceaug  4619
 48 GLU- 
         HN     48 GLU- HA      3.50  #     2    19840.0  e   1ceaug   560
         HN     48 GLU- HB2     3.80 >#     2    11120.0  e   1ceaug  1282
         HN     48 GLU- HB3     3.20 <#     2    35760.0  e   1ceaug  1281
         HN     48 GLU- HG2     3.90  #     1    12740.0  e   1ceaug  1280
         HN     48 GLU- HG3     3.30  #     1    30250.0  e   1ceaug  1279
         HN     49 LEU  HN      3.10  #     2    40320.0  e   1ceaug  1283
         HN     50 PHE  HN      6.00  #     3     2491.0  e   1ceaug  4626
         HA     48 GLU- HB2     3.10  #     2    40000.0  e   1ceaug  3272
         HA     48 GLU- HB3     2.90  #     2    56750.0  e   1ceaug  3269
         HA     48 GLU- HG2     3.10  #     1    45990.0  e   1ceaug  3265
         HA     48 GLU- HG3     3.30  #     1    36060.0  e   1ceaug  3261
         HA     49 LEU  HN      3.80  #     2    10870.0  e   1ceaug   561
         HA     50 PHE  HN      7.00  #   w 3         .0  e   1ceaug  4627
         HA     51 GLU- HN      5.50  #     3     3476.0  e   1ceaug  1748
         HA     51 GLU- HB2     5.30  #     3     3993.0  e   1ceaug  4631
         HA     51 GLU- HB3     5.60  #     3     3337.0  e   1ceaug  4630
         HA     51 GLU- HG2     7.00  #   w 5         .0  e   1ceaug  2549
         HA     51 GLU- HG3     7.00  #   w 5     1275.0  e   1ceaug  4629
         HA     52 GLU- HN      6.30  #     3     2091.0  e   1ceaug  4634
         HB2    48 GLU- HG2     3.40  #     1    25400.0  e   1ceaug  3268
         HB2    48 GLU- HG3     3.10  #     1    51010.0  e   1ceaug  3264
         HB2    49 LEU  HN      3.30  #     2    28310.0  e   1ceaug  1513
         HB3    48 GLU- HG2     3.10  #     1    43820.0  e   1ceaug  3267
         HB3    48 GLU- HG3     3.30  #     1    30080.0  e   1ceaug  3263
         HB3    49 LEU  HN      3.40  #     2    23530.0  e   1ceaug  3819
         HG2    49 LEU  HN      7.00  #   w 5         .0  e   1ceaug  3816
         HG3    49 LEU  HN      7.00  #   w 5      471.0  e   1ceaug  3815
 49 LEU  
         HN     49 LEU  HA      3.50  #     2    19170.0  e   1ceaug  1274
         HN     49 LEU  HB2     2.90  #     2    64640.0  e   1ceaug  1275
         HN     49 LEU  HB3     3.10  #     2    37850.0  e   1ceaug  3292
         HN     49 LEU  HG      4.50  #     1     4927.0  e   1ceaug  3296
         HN     49 LEU  QD1     4.80  #     1M    7162.0  e   1ceaug  1278
         HN     49 LEU  QD2     5.20  #     1M    5645.0  e   1ceaug  3297
         HN     50 PHE  HN      3.00  #     2    46600.0  e   1ceaug  3609
         HN     51 GLU- HN      4.30  #     3    11120.0  e   1ceaug  4636
         HN     52 GLU- HN      5.70  #     3     3153.0  e   1ceaug  4643
         HN     52 GLU- QB      7.70  # m   3     1646.5*2e   1ceaug  4657
         HA     49 LEU  HB2     3.00  #     2    46960.0  e   1ceaug  3287
         HA     49 LEU  HB3     3.40  #     2    23540.0  e   1ceaug  3282
         HA     49 LEU  HG      4.40  #     1     5725.0  e   1ceaug  3295
         HA     49 LEU  QD1     3.90  #     1M   26310.0  e   1ceaug  3277
         HA     49 LEU  QD2     4.40  #     1M   13220.0  e   1ceaug  1858
         HA     50 PHE  HN      3.90  #     2    10140.0  e   1ceaug  1467
         HA     51 GLU- HN      6.20  #     3     2150.0  e   1ceaug  4638
         HA     52 GLU- HN      4.30  #     3     9973.0  e   1ceaug  1749
         HA     52 GLU- QB      5.20  # m   3    10680.0*2e   1ceaug  1750
         HA     53 LEU  HN      6.00  #     3     2454.0  e   1ceaug  4647
         HB2    49 LEU  HG      3.20 <#     1    37180.0  e   1ceaug  3285
         HB2    49 LEU  QD1     3.60  #     1M   43910.0  e   1ceaug  3302
         HB2    49 LEU  QD2     3.70  #     1M   34400.0  e   1ceaug  3306
         HB2    50 PHE  HN      3.70  #     2    12580.0  e   1ceaug  1481
         HB2    50 PHE  HA      5.30  #     2     1584.0  e   1ceaug  4650
         HB2    50 PHE  HB2     5.30  #     5     9161.0  e   1ceaug  4652
         HB3    49 LEU  HG      3.90 >#     1    12700.0  e   1ceaug  3293
         HB3    49 LEU  QD1     3.80  #     1M   29440.0  e   1ceaug  3279
         HB3    49 LEU  QD2     3.70  #     1M   37390.0  e   1ceaug  3307
         HB3    50 PHE  HN      3.40  #     2    24480.0  e   1ceaug  1476
         HB3    50 PHE  HB2     7.00  #   w 5     2453.0  e   1ceaug  4649
         HG     49 LEU  QD1     3.60  #     1M   45250.0  e   1ceaug  3304
         HG     49 LEU  QD2     3.70  #     1M   34690.0  e   1ceaug  3300
         HG     50 PHE  HN      5.70  #     5     6729.0  e   1ceaug  1482
         HG     50 PHE  HA      7.00  #   w 5     1997.0  e   1ceaug  4655
         QD1    50 PHE  HN      8.00 >#     5M    2019.0  e   1ceaug  5280
         QD1    50 PHE  HA      8.00 >#     5M    3898.0  e   1ceaug  5285
         QD1    69 LEU  QD1     4.30  # m s 5M  305100.0  e   1ceaug  4662
         QD1    69 LEU  QD2     4.90  # m   5M  119300.0  e   1ceaug  4660
         QD2    50 PHE  HN      6.70 <#     5M   13690.0  e   1ceaug  5281
         QD2    50 PHE  HA      5.90 <#     5M   22250.0  e ! 1ceaug  5283
         QD2    69 LEU  QD1     4.80  # m   5M  141000.0  e   1ceaug  4664
         QD2    69 LEU  QD2     5.00  # m   5M  115500.0  e   1ceaug  4659
 50 PHE  
         HN     50 PHE  HA      3.10  #     2    40620.0  e   1ceaug   568
         HN     50 PHE  HB2     2.70  #     2    89150.0  e   1ceaug   570
         HN     50 PHE  HB3     2.90  #     2    66300.0  e   1ceaug   572
         HN     50 PHE  QD      6.60  # r   1     4308.0*2e   1ceaug  1453
         HN     51 GLU- HN      3.10  #     2    39450.0  e   1ceaug  3651
         HN     52 GLU- HN      6.80  #     3     1524.0  e   1ceaug  4668
         HA     50 PHE  HB2     2.70 <#     2    83670.0  e   1ceaug   574
         HA     50 PHE  HB3     3.20 >#     2    30890.0  e   1ceaug   575
         HA     50 PHE  QD      4.50  # m   1    21970.0*2e   1ceaug  3310
         HA     51 GLU- HN      3.90  #     2     9444.0  e   1ceaug   578
         HA     52 GLU- HN      7.00  #   w 3         .0  e   1ceaug  4669
         HA     53 LEU  HN      4.30  #     3     9665.0  e   1ceaug  4670
         HA     53 LEU  HB2     4.50  #     3     7917.0  e   1ceaug  4672
         HA     53 LEU  HB3     5.30  #     3     4052.0  e   1ceaug  4671
         HA     53 LEU  HG      6.10  #     5     4896.0  e   1ceaug  4674
         HA     53 LEU  QD1     5.90 <#     5M   23590.0  e   1ceaug  4677
         HA     53 LEU  QD2     7.90 >#     5M    6884.0  e   1ceaug  4676
         HA     54 ASP- HN      5.50  #     3     3573.0  e   1ceaug  4680
         HA     61 VAL  QG2     6.70  #     5M   13506.0  e   paraug  5209
         HB2    50 PHE  QD      5.20  # r   1    37180.0*2e   1ceaug  3312
         HB2    50 PHE  QE      7.20  # r   1     2174.5*2e   1ceaug  1655
         HB2    51 GLU- HN      3.70  #     2    13720.0  e   1ceaug  1553
         HB3    50 PHE  QD      5.40  # r   1    27370.0*2e   1ceaug  3311
         HB3    51 GLU- HN      3.40  #     2    21150.0  e   1ceaug  1554
         QD     51 GLU- HN      5.80  # r   5    34635.0*2e   1ceaug  5006
         QD     51 GLU- HA      9.00  # r w 5     1232.5*2e   1ceaug  1960
         QD     53 LEU  QD1    10.00 <# r   5M    1683.0*2e   1ceaug  4679
         QD     53 LEU  QD2    10.00 ># r   5M     234.5*2e   1ceaug  2570
         QD     54 ASP- HB3     9.00  # r w 5      339.5*2e   1ceaug  1602
         QD     59 GLY  HN      9.00  # r w 5      390.0*2e   paraug  1401
         QD     61 VAL  QG2     8.70  # r   5M   13347.0*2e   paraug  5208
         QE     59 GLY  HN      8.50  # r   5     3981.0*2e   paraug  5216
         QE     61 VAL  QG2     8.80  # r   5M   13209.0*2e   paraug  5206
 51 GLU- 
         HN     51 GLU- HA      3.20  #     2    33890.0  e   1ceaug   584
         HN     51 GLU- HB2     3.40  #     2    21390.0  e   1ceaug  3333
         HN     51 GLU- HB3     3.20  #     2    35160.0  e   1ceaug  1147
         HN     51 GLU- HG2     4.60 >#     1     4629.0  e   1ceaug  3326
         HN     51 GLU- HG3     3.90 <#     1    12640.0  e   1ceaug  1145
         HN     52 GLU- HN      3.00  #     2    53520.0  e   1ceaug  1273
         HN     53 LEU  HN      4.40  #     3     8916.0  e   1ceaug  4683
         HN     54 ASP- HN      6.80  #     3     1558.0  e   1ceaug  4685
         HA     51 GLU- HB2     3.20  #     2    34060.0  e   1ceaug  3321
         HA     51 GLU- HB3     3.60  #     2    15890.0  e   1ceaug  3320
         HA     51 GLU- HG2     5.30  #     1     1773.0  e   1ceaug  3319
         HA     51 GLU- HG3     4.80  #     1     3367.0  e   1ceaug  3317
         HA     52 GLU- HN      3.80  #     2    12020.0  e   1ceaug   587
         HA     53 LEU  HN      6.90  #     3     1441.0  e   1ceaug  4682
         HA     54 ASP- HN      3.80  #     3    15860.0  e   1ceaug  1751
         HB2    51 GLU- HG2     3.20  #     1    39730.0  e   1ceaug  3329
         HB2    51 GLU- HG3     4.40  #     1     5778.0  e   1ceaug  3325
         HB2    52 GLU- HN      3.90  #     2    10600.0  e   1ceaug  3826
         HB3    51 GLU- HG2     3.00  #     1    54390.0  e   1ceaug  3332
         HB3    51 GLU- HG3     4.20  #     1     7667.0  e   1ceaug  3331
         HB3    52 GLU- HN      3.90  #     2     9187.0  e   1ceaug  3825
         HG2    52 GLU- HN      7.00 <#   w 5      630.0  e   1ceaug  3824
         HG3    52 GLU- HN      7.00 >#   w 5      221.0  e   1ceaug  3823
         HG3    54 ASP- HN      7.00  #   w 5      411.0  e   1ceaug  4999
 52 GLU- 
         HN     52 GLU- HA      3.20  #     2    34340.0  e   1ceaug  3827
         HN     52 GLU- QB      3.70  # i   2    38480.0*2e   1ceaug  3344
         HN     52 GLU- HG2     4.60  #     1     4457.0  e   1ceaug  3341
         HN     52 GLU- HG3     5.20  #     1     2053.0  e   1ceaug  3348
         HN     53 LEU  HN      2.90  #     2    66140.0  e   1ceaug   591
         HN     53 LEU  HB2     5.70  #     2      988.0  e   1ceaug  4689
         HN     53 LEU  HG      7.00  #   w 5     2633.0  e   1ceaug  4686
         HN     54 ASP- HN      5.60  #     3     3243.0  e   1ceaug  4996
         HA     52 GLU- QB      4.30  # m   2    27155.0*2e   1ceaug  3336
         HA     52 GLU- HG2     3.60  #     1    18630.0  e   1ceaug  3338
         HA     52 GLU- HG3     3.20  #     1    37720.0  e   1ceaug  3337
         HA     53 LEU  HN      4.00  #     2     9053.0  e   1ceaug  3829
         HA     53 LEU  HA      5.60  #     2     1124.0  e   1ceaug  4691
         QB     52 GLU- HG2     3.40 <# m   1   214250.0*2e   1ceaug  3342
         QB     52 GLU- HG3     4.10 ># m   1    48560.0*2e   1ceaug  3349
         QB     53 LEU  HN      4.20  # m   2    33135.0*2e   1ceaug  1548
         QB     53 LEU  HG      5.30  # m   5    20955.0*2e   1ceaug  4693
         QB     53 LEU  QD2     9.00  # m   5M    2913.5*2e   1ceaug  4695
         QB     54 ASP- HN      8.00  # m w 3         .0*2e   1ceaug  4998
         HG2    53 LEU  HB2     7.00  #   w 5      924.0  e   1ceaug  4697
 53 LEU  
         HN     53 LEU  HA      3.20  #     2    32020.0  e   1ceaug   594
         HN     53 LEU  HB2     3.10  #     2    37010.0  e   1ceaug   598
         HN     53 LEU  HB3     3.50  #     2    20140.0  e   1ceaug   596
         HN     53 LEU  HG      2.90  #     1    67120.0  e   1ceaug  3350
         HN     53 LEU  QD1     3.80  #     1M   31980.0  e   1ceaug  3359
         HN     53 LEU  QD2     4.20  #     1M   17290.0  e   1ceaug  1866
         HN     54 ASP- HN      3.00  #     2    45810.0  e   1ceaug  2590
         HA     53 LEU  HB2     3.70 >#     2    13250.0  e   1ceaug   601
         HA     53 LEU  HB3     3.00 <#     2    52590.0  e   1ceaug   600
         HA     53 LEU  HG      3.60  #     1    20050.0  e   1ceaug  1141
         HA     53 LEU  QD1     5.10 >#     1M    5079.0  e   1ceaug  1687
         HA     53 LEU  QD2     3.30 <#   s 1M   67480.0  e   1ceaug  1139
         HA     54 ASP- HN      3.90  #     2     9722.0  e   1ceaug   604
         HA     54 ASP- HA      4.90  #     2     2589.0  e   1ceaug  4700
         HB2    53 LEU  HG      3.70  #     1    17240.0  e   1ceaug   611
         HB2    53 LEU  QD1     3.30  #   s 1M  161500.0  e   1ceaug  3356
         HB2    53 LEU  QD2     3.90  #     1M   27440.0  e   1ceaug  3370
         HB2    54 ASP- HN      3.30  #     2    25780.0  e   1ceaug   614
         HB3    53 LEU  HG      3.50  #     1    22790.0  e   1ceaug   607
         HB3    53 LEU  QD1     3.70  #     1M   34520.0  e   1ceaug  3362
         HB3    53 LEU  QD2     3.70  #     1M   39070.0  e   1ceaug  3371
         HB3    54 ASP- HN      3.60  #     2    15090.0  e   1ceaug   609
         HG     53 LEU  QD1     3.30  #   s 1M  123000.0  e   1ceaug  3360
         HG     53 LEU  QD2     3.30  #   s 1M   81190.0  e   1ceaug  3364
         HG     54 ASP- HN      6.30  #     5     4511.0  e   1ceaug   615
         QD1    54 ASP- HN      6.50 <#     5M   15080.0  e   1ceaug  4706
         QD1    66 PHE  HA      6.80  #     5M   13120.0  e   1ceaug  5025
         QD1    66 PHE  HB2     8.00  #     5M    1660.0  e   1ceaug  5028
         QD1    66 PHE  QD      9.40 <# r   5M    9005.0*2e   1ceaug  4986
         QD1    69 LEU  QD2     6.60  # m   5M   27210.0  e   1ceaug  4984
         QD2    54 ASP- HN      8.00 >#     5M    1351.0  e   1ceaug  4705
         QD2    66 PHE  HA      6.20  #     5M   19140.0  e   1ceaug  5024
         QD2    66 PHE  HB2     8.00  #     5M        .0  e   1ceaug  5029
         QD2    66 PHE  QD     10.00 ># r   5M    2144.5*2e   1ceaug  4979
         QD2    68 VAL  HN      5.70  #     5M   26610.0  e   1ceaug  5022
         QD2    68 VAL  HB      4.90  #     5M   48290.0  e   1ceaug  5023
         QD2    69 LEU  QD2     9.00  # m   5M    3050.0  e   1ceaug  4985
 54 ASP- 
         HN     54 ASP- HA      3.60  #     2    17046.0  e   paraug  1138
         HN     54 ASP- HB2     2.90  #     2    56526.0  e   paraug  1137
         HN     54 ASP- HB3     3.30  #     2    25800.0  e   1ceaug  1136
         HN     61 VAL  QG1     6.80  #     5M   12810.0  e   paraug  4902
         HN     61 VAL  QG2     6.70  #     5M   13428.0  e   paraug  5195
         HA     54 ASP- HB2     4.10  #     2     7656.0  e   paraug  5194
         HA     54 ASP- HB3     4.20  #     2     6360.0  e   paraug  5193
         HA     61 VAL  QG1     8.00 >#     5M    4416.0  e   paraug  5196
         HA     61 VAL  QG2     6.40 <#     5M   16704.0  e   paraug  1682
         HB2    61 VAL  QG2     8.00  #     5M    2064.0  e   paraug  5198
         HB3    61 VAL  QG2     4.90  #     5M   49650.0  e   paraug  5199
 55 LYS+ 
         HB2    55 LYS+ QE      7.70  # m   1      452.0*2e   1ceaug  4036
         HB3    55 LYS+ QE      8.00  # m w 1         .0*2e   1ceaug  3402
         HG2    55 LYS+ QE      7.90 ># m   1      363.0*2e   1ceaug  4038
         HG3    55 LYS+ QE      5.10 <# m   1     8565.0*2e   1ceaug  4037
         QD     55 LYS+ QE      6.20  # mm  1     7747.5*4e   1ceaug  1881
 56 ASN  
         HN     56 ASN  HA      3.00  #     2    49284.0  e   paraug   628
         HN     56 ASN  HB2     3.60 <#     2    16302.0  e   paraug  1132
         HN     56 ASN  HB3     4.20 >#     2     6516.0  e   paraug  5228
         HN     56 ASN  HD21    4.30  #     1     6906.0  e   paraug  3406
         HN     57 GLY  HN      4.60  #     2     3552.0  e   paraug  1271
         HA     56 ASN  HB2     4.70  #     2     3237.0  e   1ceaug  2107
         HA     56 ASN  HD22    5.50  #     1     1524.0  e   paraug  2108
         HA     57 GLY  HN      5.20  #     2     1644.0  e   paraug   630
         HB2    56 ASN  HD21    3.20  #     1    42942.0  e   paraug  1629
         HB3    56 ASN  HD21    3.10  #     1    46458.0  e   paraug  3411
         HB3    56 ASN  HD22    6.70  #     1      432.0  e   paraug  3412
         HB3    57 GLY  HN      4.50  #     2     4026.0  e   paraug  2626
         HD21   58 ASP- HB2     7.00  #   w 5     2346.0  e   paraug  1625
 57 GLY  
         HN     57 GLY  QA      4.20  #     2     5889.0*2e   paraug  1130
         QA     59 GLY  HN      8.00  # m w 3      558.0*2e   paraug  1399
 58 ASP- 
         HN     58 ASP- HA      3.70  #     2    13206.0  e   paraug   631
         HN     58 ASP- HB2     4.10 <#     2     7842.0  e   paraug  3418
         HN     58 ASP- HB3     5.80 >#     2      870.0  e   paraug   633
         HN     59 GLY  HN      3.20  #     2    32742.0  e   paraug   636
         HA     58 ASP- HB2     3.10 <#     2    37614.0  e   paraug   638
         HA     58 ASP- HB3     3.70 >#     2    13332.0  e   paraug   640
         HA     59 GLY  HN      4.40  #     2     4752.0  e   paraug   642
 59 GLY  
         HN     59 GLY  HA1     5.50 >#     2     1170.0  e   paraug  1128
         HN     59 GLY  HA2     3.10 <#     2    37218.0  e   paraug  3421
         HN     60 GLU- HN      5.80  #     2      912.0  e   paraug   650
         HA2    60 GLU- HN      5.20  #     2     1692.0  e   paraug  5227
 60 GLU- 
         HN     60 GLU- HB3     5.20  #     2     1686.0  e   paraug   656
         HA     61 VAL  HN      3.00  #     2    47310.0  e   1ceaug  2631
 61 VAL  
         HN     61 VAL  HA      3.00  #     2    49338.0  e   paraug   670
         HN     61 VAL  HB      2.90  #     2    58800.0  e   paraug  3437
         HN     61 VAL  QG1     5.30 >#     1M    4266.0  e   paraug  3441
         HN     61 VAL  QG2     4.30 <#     1M   15282.0  e   paraug  3445
         HN     62 SER  HN      4.50  #     2     4278.0  e   paraug  1266
         HA     61 VAL  HB      3.70  #     2    12966.0  e   paraug  3438
         HA     61 VAL  QG1     3.70  #     1M   35334.0  e   paraug  1692
         HA     61 VAL  QG2     3.70  #     1M   39342.0  e   paraug  1680
         HA     62 SER  HN      4.90  #     2     2478.0  e   paraug   672
         HB     61 VAL  QG1     3.40  #     1M   65280.0  e   1ceaug  3439
         HB     61 VAL  QG2     3.80  #     1M   33846.0  e   paraug  1717
         HB     62 SER  HN      7.00  #   w 2         .0  e   1ceaug  1418
         QG1    62 SER  HN      7.80  #     5M    7498.0  e   1ceaug  1415
         QG1    65 GLU- HN      8.00  #     5M    2460.0  e   paraug  4901
         QG1    65 GLU- HB2     8.00  #     5M    6650.0  e   1ceaug  4897
         QG1    65 GLU- HB3     6.30  #     5M   16970.0  e   1ceaug  4898
         QG1    66 PHE  HN      5.30  #     5M   36090.0  e   1ceaug  1495
         QG1    66 PHE  HA      5.60  #     5M   28506.0  e   paraug  4892
         QG1    66 PHE  HB2     5.20  #     5M   37640.0  e   1ceaug  4894
         QG1    66 PHE  HB3     6.50  #     5M   15640.0  e   1ceaug  4893
         QG1    66 PHE  QD      8.70  # r   5M   13615.0*2e   1ceaug  4890
         QG1    66 PHE  QE     10.00  # r   5M     319.5*2e   1ceaug  4891
 62 SER  
         HN     62 SER  HG      3.80  #     1    14460.0  e   paraug  3446
         HN     63 PHE  HN      5.30  #     2     1584.0  e   paraug   679
         HN     65 GLU- HA      7.00  #   w 3      292.0  e   1ceaug  1813
         HA     62 SER  HB2     4.10 <#     2     7727.0  e   1ceaug   681
         HA     62 SER  HB3     5.30 >#     2     1491.0  e   1ceaug   683
         HA     63 PHE  HN      3.50  #     2    20050.0  e   1ceaug  1265
         HA     64 GLU- HN      7.00  #   w 3         .0  e   1ceaug  1466
         HB2    63 PHE  HN      3.10 <#     2    42040.0  e   1ceaug   691
         HB2    64 GLU- HN      4.10  #     3    11440.0  e   1ceaug  2637
         HB3    63 PHE  HN      3.60 >#     2    14850.0  e   1ceaug   696
         HB3    63 PHE  HB3     7.00  #   w 5      880.0  e   1ceaug   697
         HB3    64 GLU- HN      4.70  #     3     6513.0  e   1ceaug   700
         HG     65 GLU- HN      4.70  #     5    14298.0  e   paraug  5229
         HG     65 GLU- HG3     5.20  #     5     9900.0  e   paraug  1987
 63 PHE  
         HN     63 PHE  HA      3.40  #     2    23030.0  e   1ceaug   701
         HN     63 PHE  HB2     3.00  #     2    54030.0  e   1ceaug   703
         HN     63 PHE  HB3     3.00  #     2    48220.0  e   1ceaug   705
         HN     63 PHE  QD      6.50  # r   1     4910.0*2e   1ceaug  3456
         HN     64 GLU- HN      3.20  #     2    35050.0  e   1ceaug   707
         HN     64 GLU- HA      6.40  #     2      484.0  e   1ceaug  4851
         HN     65 GLU- HN      6.80  #     3     1503.0  e   1ceaug  1439
         HA     63 PHE  HB2     3.20  #     2    35850.0  e   1ceaug   710
         HA     63 PHE  HB3     3.10  #     2    37250.0  e   1ceaug   712
         HA     63 PHE  QD      4.30  # m   1    36045.0*2e   1ceaug  3457
         HA     63 PHE  QE      5.70  # i   1     2316.5*2e   1ceaug  3448
         HA     64 GLU- HN      4.00  #     2     8468.0  e   1ceaug  5109
         HA     65 GLU- HN      7.00  #   w 3      478.0  e   1ceaug  4854
         HA     66 PHE  HN      3.70  #     3    18400.0  e   1ceaug  3793
         HA     66 PHE  HB2     3.40  #     3    26220.0  e   1ceaug  2640
         HA     66 PHE  HB3     3.20  #     3    32310.0  e   1ceaug  5087
         HA     66 PHE  QD      7.60  # r   5     7295.0*2e   1ceaug  5092
         HA     67 GLN  HN      7.00  #   w 3      759.0  e   1ceaug  5074
         HB2    63 PHE  QD      5.70 ># r   1    16520.0*2e   1ceaug  3459
         HB2    64 GLU- HN      4.00 >#     2     9018.0  e   1ceaug  4841
         HB3    63 PHE  QD      5.10 <# r   1    48060.0*2e   1ceaug  1261
         HB3    64 GLU- HN      3.30 <#     2    25680.0  e   1ceaug   715
         HB3    65 GLU- HN      6.70  #     3     1599.0  e   1ceaug  4852
         QD     63 PHE  QE      7.50  # rr  1    21305.0*4e   1ceaug  3454
         QD     63 PHE  HZ      5.80  # r   1    13050.0*2e   1ceaug  1159
         QD     64 GLU- HN      8.50  # r   5     3765.5*2e   1ceaug  4840
         QD     66 PHE  HB2     9.00 ># r w 5     2182.0*2e   1ceaug  1945
         QD     66 PHE  HB3     6.70 <# r   5    14825.0*2e   1ceaug  5089
         QD     66 PHE  QD      9.40  # rr  5     8300.0*4e   1ceaug  1986
         QD     66 PHE  QE     10.60  # rr  5     3682.5*4e   1ceaug  4981
         QD     67 GLN  HG3     9.00  # r w 5     1181.0*2e   1ceaug  5075
         QD     67 GLN  HE21    8.10  # r   5     5000.0*2e   1ceaug  5288
         QD     67 GLN  HE22    8.80  # r   5     3151.5*2e   1ceaug  5289
         QE     63 PHE  HZ      4.70  # r   1   105800.0*2e   1ceaug  1160
         QE     66 PHE  QD     11.00  # rrw 5     2276.2*4e   1ceaug  5001
         QE     66 PHE  QE     11.00  # rrw 5     1641.2*4e   1ceaug  5003
         QE     67 GLN  HE21    7.70  # r   5     6500.0*2e   1ceaug  1983
         QE     67 GLN  HE22    8.00  # r   5     5300.0*2e   1ceaug  1978
         HZ     67 GLN  HE21    5.50  #     5     7748.0  e   1ceaug  1982
         HZ     67 GLN  HE22    6.20  #     5     4790.0  e   1ceaug  1980
         HZ     70 VAL  QG1     8.00  #     5M    3807.0  e   1ceaug  1919
 64 GLU- 
         HN     64 GLU- HA      3.10  #     2    40370.0  e   1ceaug   718
         HN     64 GLU- HB2     4.60  #     2     3669.0  e   1ceaug   722
         HN     64 GLU- HB3     4.30  #     2     5301.0  e   1ceaug   720
         HN     64 GLU- HG2     3.10  #     1    46650.0  e   1ceaug  3797
         HN     64 GLU- HG3     3.30  #     1    33620.0  e   1ceaug  1157
         HN     65 GLU- HN      3.20  #     2    32900.0  e   1ceaug  2644
         HN     66 PHE  HN      5.50  #     3     3675.0  e   1ceaug  4855
         HA     64 GLU- HB2     4.40 >#     2     4791.0  e   1ceaug   725
         HA     64 GLU- HB3     3.70 <#     2    13120.0  e   1ceaug   723
         HA     64 GLU- HG2     7.00  #   w 1         .0  e   1ceaug  3799
         HA     64 GLU- HG3     4.50  #     1     4896.0  e   1ceaug  3461
         HA     65 GLU- HN      5.00  #     2     2300.0  e   1ceaug   727
         HA     65 GLU- HA      6.20  #     2      572.0  e   1ceaug  4864
         HA     66 PHE  HN      7.00  #   w 3     1179.0  e   1ceaug  4863
         HA     67 GLN  HN      4.30  #     3    10050.0  e   1ceaug  1752
         HA     67 GLN  HA      7.00  #   w 3      469.0  e   1ceaug  5068
         HA     67 GLN  HB2     7.00  #     3     1329.0  e   1ceaug  5069
         HA     67 GLN  HG2     7.00  #   w 5     2736.0  e   1ceaug  3809
         HA     67 GLN  HG3     6.00  #     5     5531.0  e   1ceaug  3808
         HA     67 GLN  HE21    6.40  #     5     4070.0  e   1ceaug  1638
         HB2    64 GLU- HG2     3.50  #     1    24000.0  e   1ceaug  3801
         HB2    64 GLU- HG3     3.20  #     1    37350.0  e   1ceaug  3465
         HB3    64 GLU- HG2     5.40  #     1     1637.0  e   1ceaug  3805
         HB3    64 GLU- HG3     4.40  #     1     5610.0  e   1ceaug  3466
         HG2    65 GLU- HN      6.40  #     5     4261.0  e   1ceaug  3812
         HG3    65 GLU- HN      6.80  #     5     3160.0  e   1ceaug  3813
 65 GLU- 
         HN     65 GLU- HA      3.70  #     2    13932.0  e   paraug   736
         HN     65 GLU- HB2     2.80 <#     2    81120.0  e   paraug  1818
         HN     65 GLU- HB3     3.50 >#     2    17838.0  e ! paraug   738
         HN     65 GLU- HG2     3.70 <#     1    16800.0  e   paraug  1819
         HN     65 GLU- HG3     5.20 >#     1     2132.0  e   1ceaug  3467
         HN     66 PHE  HN      3.10  #     2    41560.0  e   1ceaug  1449
         HN     66 PHE  HB3     5.10  #     2     1998.0  e   1ceaug  5085
         HN     67 GLN  HN      6.90  #     3     1396.0  e   1ceaug  5066
         HA     65 GLU- HB2     3.90 >#     2    10200.0  e   paraug   744
         HA     65 GLU- HB3     3.10 <#     2    37956.0  e   paraug   742
         HA     65 GLU- HG2     3.30 <#     1    31482.0  e   paraug  3471
         HA     65 GLU- HG3     5.60 >#     1     1272.0  e   paraug  3472
         HA     66 PHE  HN      4.10  #     2     6862.0  e   1ceaug   745
         HA     67 GLN  HN      5.20  #     3     4478.0  e   1ceaug  4862
         HA     68 VAL  HN      7.00  #   w 3     1070.0  e   1ceaug  1753
         HA     68 VAL  HB      7.00  #   w 3         .0  e   1ceaug  3814
         HB2    65 GLU- HG2     3.10  #     1    45580.0  e   1ceaug  3478
         HB2    65 GLU- HG3     3.10  #     1    44960.0  e   1ceaug  3474
         HB2    66 PHE  HN      3.70  #     2    12730.0  e   1ceaug  5080
         HB2    66 PHE  HB2     6.20  #     5     4750.0  e   1ceaug   761
         HB3    65 GLU- HG2     3.30  #     1    33960.0  e   paraug  3483
         HB3    65 GLU- HG3     3.70  #     1    15456.0  e   paraug  3475
         HB3    66 PHE  HN      3.90  #     2     9436.0  e   1ceaug  5079
         HG3    66 PHE  HN      6.30  #     5     4453.0  e   1ceaug  1821
 66 PHE  
         HN     66 PHE  HA      3.20  #     2    31950.0  e   1ceaug   768
         HN     66 PHE  HB2     2.80  #     2    73000.0  e   1ceaug   770
         HN     66 PHE  HB3     2.80  #     2    82440.0  e   1ceaug   772
         HN     66 PHE  QD      6.30  # r   1     6905.0*2e   1ceaug  3484
         HN     67 GLN  HN      3.20  #     2    30210.0  e   1ceaug   773
         HN     67 GLN  HG3     7.00  #   w 5     1646.0  e   1ceaug  5063
         HA     66 PHE  HB2     3.00  #     2    45720.0  e   1ceaug   780
         HA     66 PHE  HB3     3.20  #     2    32140.0  e   1ceaug   782
         HA     66 PHE  QD      4.50  # m   1    22430.0*2e   1ceaug  1570
         HA     66 PHE  QE      5.60  # i   1     2488.0*2e   1ceaug  3487
         HA     67 GLN  HN      3.80  #     2    12180.0  e   1ceaug  1259
         HA     68 VAL  HN      5.40  #     3     3871.0  e   1ceaug  4837
         HA     69 LEU  HN      5.90  #     3     2752.0  e   1ceaug  1755
         HA     69 LEU  HB2     5.40 <#     3     3759.0  e   1ceaug  3792
         HA     69 LEU  HB3     7.00 >#   w 3     1025.0  e   1ceaug   784
         HA     69 LEU  QD1     8.00  #     5M    1625.0  e   1ceaug  5035
         HA     69 LEU  QD2     8.00  #     5M    2069.0  e   1ceaug  5034
         HB2    66 PHE  QD      5.20  # r   1    36660.0*2e   1ceaug  3488
         HB2    67 GLN  HN      4.30 >#     2     5298.0  e   1ceaug  1557
         HB3    66 PHE  QD      5.10  # r   1    51350.0*2e   1ceaug  1568
         HB3    66 PHE  QE      7.30  # r   1     1822.0*2e   1ceaug  3490
         HB3    67 GLN  HN      3.60 <#     2    15120.0  e   1ceaug  1558
         HB3    67 GLN  HA      4.50  #     2     3908.0  e   1ceaug  5060
         HB3    67 GLN  HG3     4.40  #     5    18300.0  e   1ceaug  5065
         QD     66 PHE  QE      7.20  # rr  1    43450.0*4e   1ceaug  3492
         QD     66 PHE  HZ      7.30  # r   1     1842.0*2e   1ceaug  1161
         QD     67 GLN  HN      8.80  # r   5     3224.5*2e   1ceaug  4859
         QD     67 GLN  HA      8.40  # r   5     4263.5*2e   1ceaug  5061
         QD     67 GLN  HE21    7.50  # r   5     7695.0*2e   1ceaug  1984
         QD     69 LEU  HB2     8.80  # r   5     3320.5*2e   1ceaug  1935
         QD     69 LEU  QD1    10.00 ># r   5M     963.5*2e   1ceaug  1573
         QD     69 LEU  QD2    10.00 <# r   5M    4798.0*2e   1ceaug  4932
         QD     70 VAL  QG1     8.00 <# r   5M   20815.0*2e   1ceaug  4026
         QD     70 VAL  QG2    10.00 ># r   5M     375.0*2e   1ceaug  4030
         QE     66 PHE  HZ      5.70  # r   1    16605.0*2e   1ceaug  3493
         QE     69 LEU  QD1    10.00 ># r   5M    3160.5*2e   1ceaug  4935
         QE     69 LEU  QD2     8.30 <# r   5M   17645.0*2e   1ceaug  4930
         QE     70 VAL  QG1     9.80 <# r   5M    7560.0*2e   1ceaug  4027
         QE     70 VAL  QG2    10.00 ># r   5M     701.5*2e   1ceaug  4031
 67 GLN  
         HN     67 GLN  HA      3.20  #     2    31240.0  e   1ceaug   788
         HN     67 GLN  HB2     3.10  #     2    37740.0  e   1ceaug  1164
         HN     67 GLN  HB3     3.60  #     2    17260.0  e   1ceaug   790
         HN     67 GLN  HG2     3.00  #     1    54760.0  e   1ceaug   794
         HN     67 GLN  HG3     3.40  #     1    26580.0  e   1ceaug   792
         HN     67 GLN  HE21    4.90 <#     1     2862.0  e   1ceaug  2010
         HN     67 GLN  HE22    5.90 >#     1     1008.0  e   1ceaug  3495
         HN     68 VAL  HN      3.40  #     2    23180.0  e   1ceaug   795
         HN     68 VAL  HB      6.50  #     2      436.0  e   1ceaug  4826
         HN     68 VAL  QG2     8.00  #     5M    1726.0  e   1ceaug  4834
         HN     69 LEU  HN      5.70  #     3     3131.0  e   1ceaug  4827
         HN     70 VAL  QG1     8.00  #     5M        .0  e   1ceaug  1917
         HA     67 GLN  HB2     3.30  #     2    29040.0  e   1ceaug   799
         HA     67 GLN  HB3     3.10  #     2    44060.0  e   1ceaug   798
         HA     67 GLN  HG2     4.10  #     1     9355.0  e   1ceaug  3506
         HA     67 GLN  HG3     4.60  #     1     4607.0  e   1ceaug   801
         HA     67 GLN  HE21    5.90  #     1      945.0  e   1ceaug  1637
         HA     67 GLN  HE22    6.10  #     1      767.0  e   1ceaug  1641
         HA     68 VAL  HN      4.10  #     2     6957.0  e   1ceaug  3786
         HA     69 LEU  HN      5.50  #     3     3600.0  e   1ceaug  4830
         HA     70 VAL  HN      3.90  #     3    14020.0  e   1ceaug  1769
         HA     70 VAL  HB      2.90  #     3    44870.0  e   1ceaug  3787
         HA     70 VAL  QG1     5.80 <#     5M   23920.0  e   1ceaug  1700
         HA     70 VAL  QG2     8.00 >#     5M    4584.0  e   1ceaug  3789
         HB2    67 GLN  HG2     3.40  #     1    26650.0  e   1ceaug   813
         HB2    67 GLN  HE21    6.60  #     1      477.0  e   1ceaug  3505
         HB2    68 VAL  HN      4.70  #     2     3387.0  e   1ceaug   815
         HB2    68 VAL  QG2     6.20  #     5M   18350.0  e   1ceaug  4836
         HB2    70 VAL  HB      5.20 >#     5     9589.0  e   1ceaug  4819
         HB3    67 GLN  HE21    7.00  #   w 1         .0  e   1ceaug  1991
         HB3    68 VAL  HN      4.60  #     2     3714.0  e   1ceaug   809
         HB3    68 VAL  QG2     8.00  #     5M    5801.0  e   1ceaug  4835
         HB3    70 VAL  HB      3.80 <#     5    33270.0  e   1ceaug  5322
         HG2    67 GLN  HE21    3.40  #     1    28380.0  e   1ceaug  1632
         HG2    67 GLN  HE22    4.50  #     1     4903.0  e   1ceaug  5077
         HG3    67 GLN  HE21    3.90  #     1    11180.0  e   1ceaug  1634
         HG3    67 GLN  HE22    6.10  #     1      756.0  e   1ceaug  5244
         HE21   70 VAL  QG1     8.00  #     5M     500.0  e   1ceaug  1999
         HE22   70 VAL  QG1     8.00  #     5M    1567.0  e   1ceaug  5236
 68 VAL  
         HN     68 VAL  HA      3.50  #     2    20770.0  e   1ceaug   822
         HN     68 VAL  HB      3.00  #     2    45760.0  e   1ceaug  1165
         HN     68 VAL  QG1     4.40  #     1M   12220.0  e   1ceaug  1167
         HN     68 VAL  QG2     4.00  #     1M   23310.0  e   1ceaug  3514
         HN     69 LEU  HN      2.90  #     2    58480.0  e   1ceaug   823
         HN     69 LEU  HA      5.70  #     2      978.0  e   1ceaug  4821
         HA     68 VAL  HB      3.40  #     2    24920.0  e   1ceaug  3782
         HA     68 VAL  QG1     3.70  #     1M   36500.0  e   1ceaug  3511
         HA     68 VAL  QG2     3.40  #     1M   64320.0  e   1ceaug  1703
         HA     69 LEU  HN      4.30  #     2     5219.0  e   1ceaug  3785
         HA     70 VAL  HN      5.30  #     3     4226.0  e   1ceaug  4816
         HA     71 LYS+ HN      4.50  #     3     7717.0  e   1ceaug   825
         HB     68 VAL  QG1     3.30  #   s 1M   73090.0  e   1ceaug  3518
         HB     68 VAL  QG2     3.50  #     1M   52630.0  e   1ceaug  3515
         HB     69 LEU  HN      4.00  #     2     8323.0  e   1ceaug  3784
         QG1    69 LEU  HN      7.80  #     5M    7251.0  e   1ceaug  3783
         QG1    69 LEU  HA      8.00  #     5M    5804.0  e   1ceaug  4825
 69 LEU  
         HN     69 LEU  HA      3.40  #     2    23760.0  e   1ceaug   828
         HN     69 LEU  HB2     3.20  #     2    30020.0  e   1ceaug   831
         HN     69 LEU  HB3     3.30  #     2    27060.0  e   1ceaug   830
         HN     69 LEU  HG      4.60  #     1     4413.0  e   1ceaug  1168
         HN     69 LEU  QD1     5.70 <#     1M    2594.0  e   1ceaug  3530
         HN     69 LEU  QD2     8.00 >#     1M     221.0  e   1ceaug  1761
         HN     70 VAL  HN      3.00  #     2    48010.0  e   1ceaug   833
         HN     73 ILE  QD1     6.50  #     5M   15650.0  e   1ceaug  4771
         HA     69 LEU  HB2     3.30  #     2    26880.0  e   1ceaug   838
         HA     69 LEU  HB3     3.10  #     2    43060.0  e   1ceaug   836
         HA     69 LEU  HG      3.40  #     1    27060.0  e   1ceaug  3520
         HA     69 LEU  QD1     3.40 <#     1M   57420.0  e   1ceaug  1690
         HA     69 LEU  QD2     4.60 >#     1M   10380.0  e   1ceaug  1170
         HA     70 VAL  HN      4.00  #     2     8042.0  e   1ceaug  1257
         HA     70 VAL  HA      5.60  #     2     1079.0  e   1ceaug  3777
         HA     72 LYS+ HN      4.80  #     3     6234.0  e   1ceaug  1562
         HA     72 LYS+ QB      5.60  # m   3     7595.0*2e   1ceaug  4797
         HA     72 LYS+ HG2     6.30 <#     5     4329.0  e   1ceaug  4802
         HA     72 LYS+ HG3     7.00 >#   w 5      780.0  e   1ceaug  4800
         HA     72 LYS+ QE      8.00  # m w 5      742.5*2e   1ceaug  4806
         HA     73 ILE  QD1     7.20  #     5M   10230.0  e   1ceaug  4772
         HB2    69 LEU  QD1     3.90  #     1M   25760.0  e   1ceaug  3531
         HB2    69 LEU  QD2     3.30  #   s 1M   72970.0  e   1ceaug  3521
         HB2    70 VAL  HN      3.50 <#     2    19610.0  e   1ceaug   844
         HB2    72 LYS+ HG2     6.80  #     5     3285.0  e   1ceaug  4804
         HB2    73 ILE  QD1     6.10  #     5M   20080.0  e   1ceaug  4775
         HB3    69 LEU  HG      2.90  #     1    77070.0  e   1ceaug  3767
         HB3    69 LEU  QD1     4.00  #     1M   22220.0  e   1ceaug  3533
         HB3    69 LEU  QD2     3.90  #     1M   24790.0  e   1ceaug  3525
         HB3    70 VAL  HN      4.20 >#     2     6670.0  e   1ceaug   841
         HB3    70 VAL  HA      6.00  #     2      712.0  e   1ceaug  3776
         HB3    72 LYS+ QB      6.70  # m   5     6775.0*2e   1ceaug  4799
         HB3    73 ILE  QD1     5.90  #     5M   22710.0  e   1ceaug  4774
         HG     69 LEU  QD1     3.40  #     1M   57280.0  e   1ceaug  3524
         HG     69 LEU  QD2     3.50  #     1M   47480.0  e   1ceaug  3523
         HG     70 VAL  HN      5.00  #     5    10950.0  e   1ceaug  4813
         QD1    70 VAL  HN      8.00  #     5M    3786.0  e   1ceaug  3772
         QD1    70 VAL  HA      8.00 >#     5M    1166.0  e   1ceaug  3778
         QD1    72 LYS+ QB      9.00  # m   5M    5195.0*2e   1ceaug  4795
         QD1    73 ILE  QD1     6.80 ># m   5M   24420.0  e   1ceaug  4776
         QD2    70 VAL  HN      8.00  #     5M    2201.0  e   1ceaug  3773
         QD2    70 VAL  HA      8.00 <#     5M    3828.0  e   1ceaug  3775
         QD2    73 ILE  QD1     5.50 <# m   5M   71300.0  e   1ceaug  4777
 70 VAL  
         HN     70 VAL  HA      3.30  #     2    26310.0  e   1ceaug   846
         HN     70 VAL  HB      2.90  #     2    59190.0  e   1ceaug  3536
         HN     70 VAL  QG1     4.20  #     1M   28790.0  e   1ceaug  3540
         HN     70 VAL  QG2     4.30  #     1M   13940.0  e   1ceaug  1173
         HN     71 LYS+ HN      3.30  #     2    27880.0  e   1ceaug   847
         HN     72 LYS+ HN      4.90  #     3     5514.0  e   1ceaug  4793
         HN     73 ILE  QD1     8.00  #     5M    4825.0  e   1ceaug  4770
         HA     70 VAL  HB      3.60  #     2    15890.0  e   1ceaug  2110
         HA     70 VAL  QG1     3.50  #     1M   53230.0  e   1ceaug  1701
         HA     70 VAL  QG2     3.60  #     1M   40700.0  e   1ceaug  1708
         HA     71 LYS+ HN      3.90  #     2    10110.0  e   1ceaug  1256
         HA     72 LYS+ HN      4.50  #     3     8177.0  e   1ceaug  4791
         HA     73 ILE  HN      4.80  #     3     6018.0  e   1ceaug  4758
         HA     73 ILE  HB      4.80  #     3     6107.0  e   1ceaug  5255
         HA     73 ILE  QG2     8.00  #     5M    2373.0  e   1ceaug  4764
         HA     73 ILE  HG13    4.20  #     5    22720.0  e   1ceaug  4762
         HA     73 ILE  QD1     6.40  #     5M   16480.0  e   1ceaug  1677
         HB     70 VAL  QG1     3.40  #     1M   60510.0  e   1ceaug  3539
         HB     70 VAL  QG2     3.30  #   s 1M   76620.0  e   1ceaug  3538
         HB     71 LYS+ HN      4.00  #     2     8380.0  e   1ceaug  1933
         HB     71 LYS+ HA      5.80  #     2      906.0  e   1ceaug  3764
         QG1    71 LYS+ HN      7.00  #     5M   11790.0  e   1ceaug  4810
         QG1    71 LYS+ HA      8.00 >#     5M    1180.0  e   1ceaug  3766
         QG2    71 LYS+ HN      6.70  #     5M   13300.0  e   1ceaug  3760
         QG2    71 LYS+ HA      8.00 <#     5M    5635.0  e   1ceaug  3765
         QG2    73 ILE  QD1     9.00  # m   5M    4261.0  e   1ceaug  4769
 71 LYS+ 
         HN     71 LYS+ HA      3.10  #     2    41320.0  e   1ceaug   850
         HN     71 LYS+ HB2     3.00  #     2    53360.0  e   1ceaug  3547
         HN     71 LYS+ HB3     3.00  #     2    45290.0  e   1ceaug  3550
         HN     71 LYS+ HG2     4.50  #     1     4777.0  e   1ceaug  1180
         HN     71 LYS+ HG3     4.40  #     1     5674.0  e   1ceaug  1179
         HN     71 LYS+ QD      7.20  # m   1      740.5*2e   1ceaug  1178
         HN     71 LYS+ QE      8.00  # m w 1      131.0*2e   1ceaug  3759
         HN     72 LYS+ HN      3.20  #     2    31130.0  e   1ceaug  2669
         HN     73 ILE  HN      4.20  #     3    10400.0  e   1ceaug  4757
         HA     71 LYS+ HB2     3.30  #     2    26580.0  e   1ceaug  3544
         HA     71 LYS+ HB3     3.50  #     2    19360.0  e   1ceaug  2219
         HA     71 LYS+ HG2     4.60  #     1     4380.0  e   1ceaug  3756
         HA     71 LYS+ HG3     5.10  #     1     2347.0  e   1ceaug  3755
         HA     72 LYS+ HN      3.90  #     2     9429.0  e   1ceaug  4786
         HA     74 SER  HN      4.30  #     3     9210.0  e   1ceaug  4742
         HA     74 SER  QB      4.70  # m   3    17415.0*2e   1ceaug  4746
         HA     75 GLN  HE21    5.70  #     5     6524.0  e   1ceaug  4727
         HB2    71 LYS+ HG2     3.10  #     1    47460.0  e   1ceaug  3557
         HB2    71 LYS+ HG3     2.70  #     1   118000.0  e   1ceaug  2224
         HB2    71 LYS+ QD      3.70  # m   1   112000.0*2e   1ceaug  2225
         HB2    72 LYS+ HN      3.60  #     2    17110.0  e   1ceaug  5324
         HB2    75 GLN  HE21    6.80  #     5     3245.0  e   1ceaug  4729
         HB3    71 LYS+ HG2     3.30  #     1    32540.0  e   1ceaug  2222
         HB3    71 LYS+ HG3     3.00  #     1    59020.0  e   1ceaug  3555
         HB3    71 LYS+ QD      4.00  # m   1    63950.0*2e   1ceaug  2228
         HB3    72 LYS+ HN      3.50  #     2    18100.0  e   1ceaug  5325
         HB3    75 GLN  HE21    7.00  #   w 5     2211.0  e   1ceaug  4730
         HG2    71 LYS+ QD      4.30  # m   1    33025.0*2e   1ceaug  2223
         HG2    71 LYS+ QE      5.70  # m   1     3764.5*2e   1ceaug  2116
         HG3    71 LYS+ QD      3.90  # m   1    75000.0*2e   1ceaug  2229
         HG3    71 LYS+ QE      5.90  # m   1     3053.5*2e   1ceaug  2117
         QD     71 LYS+ QE      5.70  # mm  1    17410.0*4e   1ceaug  3546
         QE     72 LYS+ HG3     7.90  # m   5     3015.5*2e   1ceaug  4788
 72 LYS+ 
         HN     72 LYS+ HA      3.20  #     2    30520.0  e   1ceaug  1181
         HN     72 LYS+ QB      3.80  # i   2    33920.0*2e   1ceaug  1182
         HN     72 LYS+ HG2     3.80  #     1    13120.0  e   1ceaug  1183
         HN     72 LYS+ HG3     4.40  #     1     5619.0  e   1ceaug  3566
         HN     72 LYS+ HD2     4.60  #     1     4344.0  e   1ceaug  3739
         HN     72 LYS+ HD3     4.20  #     1     7730.0  e   1ceaug  3565
         HN     73 ILE  HN      3.00  #     2    45820.0  e   1ceaug   853
         HN     74 SER  HN      5.10  #     3     4906.0  e   1ceaug  4738
         HN     75 GLN  HN      6.60  #     3     1735.0  e   1ceaug  4572
         HA     72 LYS+ QB      4.30  # m   2    28510.0*2e   1ceaug  3563
         HA     72 LYS+ HG2     3.50 <#     1    22020.0  e   1ceaug  3572
         HA     72 LYS+ HG3     4.90 >#     1     3163.0  e   1ceaug  4748
         HA     72 LYS+ HD2     4.20  #     1     7325.0  e   1ceaug  4749
         HA     72 LYS+ HD3     4.40  #     1     6082.0  e   1ceaug  3747
         HA     72 LYS+ QE      8.00  # m w 1      318.5*2e   1ceaug  3742
         HA     73 ILE  HN      4.20  #     2     6267.0  e   1ceaug  2671
         HA     73 ILE  HA      4.90  #     2     2594.0  e   1ceaug  4751
         HA     74 SER  HN      5.20  #     3     4638.0  e   1ceaug  4740
         HA     75 GLN  HN      6.80  #     3     1524.0  e   1ceaug  4575
         HA     75 GLN  HB2     4.00  #     3    13500.0  e   1ceaug  4580
         HA     75 GLN  HB3     3.90  #     3    13680.0  e   1ceaug  4579
         QB     72 LYS+ HG2     4.70  # m   1    17265.0*2e   1ceaug  2213
         QB     72 LYS+ HG3     4.20  # m   1    36385.0*2e   1ceaug  2214
         QB     72 LYS+ HD3     4.90  # m   1    12220.0*2e   1ceaug  2207
         QB     73 ILE  HN      5.00  # m   2     8890.0*2e   1ceaug  3754
         QB     73 ILE  HA      5.50  # m   2     4022.5*2e   1ceaug  4753
         QB     75 GLN  HN      6.10  # m   3     4662.5*2e   1ceaug  4574
         HG2    72 LYS+ HD3     3.00  #     1    54950.0  e   1ceaug  3571
         HG2    72 LYS+ QE      6.30  # m   1     1949.5*2e   1ceaug  3751
         HG3    72 LYS+ HD3     3.10  #     1    45890.0  e   1ceaug  3570
         HG3    72 LYS+ HE2     4.40  #     1     5500.0  e   1ceaug  2211
         HG3    72 LYS+ QE      6.30  # m   1     1764.5*2e   1ceaug  3753
         HD2    72 LYS+ QE      5.60  # m   1     4291.0*2e   1ceaug  3752
         HD3    72 LYS+ HE3     5.60  #     1     1349.0  e   1ceaug  2208
         HD3    72 LYS+ QE      5.60  # m   1     4617.0*2e   1ceaug  3750
 73 ILE  
         HN     73 ILE  HA      3.10  #     2    37210.0  e   1ceaug   856
         HN     73 ILE  HB      3.20  #     2    34790.0  e   1ceaug  1192
         HN     73 ILE  QG2     4.30  #     1M   15380.0  e   1ceaug  1190
         HN     73 ILE  HG12    4.10 >#     1     9244.0  e   1ceaug  1191
         HN     73 ILE  HG13    2.80 <#     1    86320.0  e   1ceaug  3576
         HN     73 ILE  QD1     5.50  #     1M    3204.0  e   1ceaug  1189
         HN     74 SER  HN      3.50  #     2    18950.0  e   1ceaug  2008
         HN     74 SER  QB      6.20  # m   2     1678.0*2e   1ceaug  4735
         HN     75 GLN  HN      4.60  #     3     7242.0  e   1ceaug  4714
         HA     73 ILE  HB      3.10  #     2    38790.0  e   1ceaug  3573
         HA     73 ILE  QG2     4.00  #     1M   23400.0  e   1ceaug  1689
         HA     73 ILE  HG12    4.60 <#     1     4104.0  e   1ceaug  2232
         HA     73 ILE  HG13    5.60 >#     1     1334.0  e   1ceaug  2231
         HA     73 ILE  QD1     8.00  #     1M     209.0  e   1ceaug  1679
         HA     74 SER  HN      3.70  #     2    13860.0  e   1ceaug   857
         HA     75 GLN  HN      7.00  #   w 3      785.0  e   1ceaug  4716
         HB     73 ILE  QG2     3.30  #   s 1M   70820.0  e   1ceaug  3579
         HB     73 ILE  HG12    4.20  #     1     7199.0  e   1ceaug  2240
         HB     73 ILE  HG13    3.70  #     1    15360.0  e   1ceaug  2241
         HB     73 ILE  QD1     3.70  #     1M   37780.0  e   1ceaug  1676
         HB     74 SER  HN      4.10  #     2     7480.0  e   1ceaug  4737
         HB     75 GLN  HN      6.20  #     3     2172.0  e   1ceaug  4718
         QG2    73 ILE  HG12    3.30 <#   s 1M   80810.0  e   1ceaug  2242
         QG2    73 ILE  HG13    3.90 >#     1M   27820.0  e   1ceaug  2243
         QG2    73 ILE  QD1     4.70  # m   1M   37710.0  e   1ceaug  2238
         QG2    74 SER  HN      8.00  #     5M    4821.0  e   1ceaug  1913
         QG2    74 SER  HA      8.00  #     5M     958.0  e   1ceaug  4734
         HG12   73 ILE  QD1     3.70  #     1M   34180.0  e   1ceaug  1672
         HG12   74 SER  HN      7.00  #   w 5     1301.0  e   1ceaug  1912
         HG13   73 ILE  QD1     3.30  #   s 1M   80040.0  e   1ceaug  2236
         HG13   74 SER  HN      7.00  #   w 5      758.0  e   1ceaug  2675
 74 SER  
         HN     74 SER  HA      3.20  #     2    30990.0  e   1ceaug   860
         HN     74 SER  QB      4.20  # i   2    17510.0*2e   1ceaug  1194
         HN     75 GLN  HN      3.30  #     2    28300.0  e   1ceaug  3673
         HN     75 GLN  HB3     5.40  #     2     1353.0  e   1ceaug  4711
         HN     75 GLN  HE21    5.50  #     5     7867.0  e   1ceaug  3597
         HA     74 SER  QB      4.80  # m   2    10915.0*2e   1ceaug  3584
         HA     75 GLN  HN      3.70  #     2    13170.0  e   1ceaug  3672
         QB     75 GLN  HN      5.30  # m   2     5815.0*2e   1ceaug  3737
         QB     75 GLN  HA      6.10  # m   2     2047.5*2e   1ceaug  4708
         QB     75 GLN  HB2     6.90  # m   5     5570.0*2e   1ceaug  4713
 75 GLN  
         HN     75 GLN  HA      4.60  #     2     3514.0  e   1ceaug  3652
         HN     75 GLN  HB2     3.70  #     2    13350.0  e   1ceaug  3655
         HN     75 GLN  HB3     4.30  #     2     5420.0  e   1ceaug  3654
         HN     75 GLN  QG      6.70  # m   1     1150.0*2e   1ceaug  3668
         HN     75 GLN  HE21    4.10 <#     1     9373.0  e   1ceaug  4480
         HN     75 GLN  HE22    5.00 >#     1     2739.0  e   1ceaug  4476
         HA     75 GLN  HB2     3.60  #     2    15970.0  e   1ceaug  3666
         HA     75 GLN  HB3     3.90  #     2     9284.0  e   1ceaug  3663
         HA     75 GLN  QG      4.60  # i   1    10125.0*2e   1ceaug  3662
         HA     75 GLN  HE21    5.40  #     1     1629.0  e   1ceaug  4481
         HA     75 GLN  HE22    6.20  #     1      694.0  e   1ceaug  4482
         HB2    75 GLN  QG      4.80  # m   1    14040.0*2e   1ceaug  3665
         HB2    75 GLN  HE21    4.60  #     1     4303.0  e   1ceaug  4732
         HB3    75 GLN  QG      4.40  # m   1    28760.0*2e   1ceaug  3664
         HB3    75 GLN  HE21    7.00  #   w 1      328.0  e   1ceaug  4484
         QG     75 GLN  HE21    8.00  # m w 1      117.5*2e   1ceaug  4483
#
Dihedral angles

atom stereo HA1 18 
atom stereo HB3 2
atom stereo HB2 4 
atom stereo HB2 6
atom stereo HB2 7
atom stereo HB2 10
atom stereo HB2 11
atom stereo HB2 12
atom stereo HB2 13
atom stereo HB2 16
atom stereo HB2 17 
atom stereo HB2 19
atom stereo HB2 20
atom stereo HB2 21
atom stereo HB2 22
atom stereo HB2 23 
atom stereo HB2 24
atom stereo HB2 25
atom stereo HB2 26
atom stereo HB2 27
atom stereo HB3 28
atom stereo HB2 29
atom stereo HB2 30
atom stereo HB2 31
atom stereo HB2 32
atom stereo HB2 33
atom stereo HB2 36
atom stereo HB2 38
atom stereo HB2 39
atom stereo HB2 40
atom stereo HB2 43
atom stereo HB2 44
atom stereo HB2 46
atom stereo HB2 47
atom stereo HB3 48
atom stereo HB2 49
atom stereo HB2 50
atom stereo HB2 53
atom stereo HB2 54
atom stereo HB2 63
atom stereo HB2 64
atom stereo HB2 65
atom stereo HB2 66
atom stereo HB2 67
atom stereo HB2 71 
atom stereo HB2 75 
atom stereo HG2 4
atom stereo HG2 5
atom stereo HG2 11
atom stereo HG2 16 
atom stereo HG2 17
atom stereo HG2 22
atom stereo HG2 25
atom stereo HG2 26
atom stereo HG2 29
atom stereo HG2 33
atom stereo HG2 41
atom stereo HG2 48
atom stereo HG2 51
atom stereo HG2 52
atom stereo HG2 64
atom stereo HG2 65
atom stereo HG2 67
atom stereo HG2 71
atom stereo HG2 72
atom stereo HD2 12
atom stereo HD2 72
atom stereo HG12 9
atom stereo HG12 73 
atom stereo QG1 61
atom stereo QG1 68
atom stereo QG1 70 
atom stereo QD1 6
atom stereo QD1 23
atom stereo QD1 30
atom stereo QD1 31
atom stereo QD1 32
atom stereo QD1 40
atom stereo QD1 49
atom stereo QD1 53
atom stereo QD1 69
atom stereo HD21 21
atom stereo HE21 22
atom stereo HE21 33
atom stereo HE21 67
atom stereo HE21 75 
#
Relaxation rates as upper limit constraints

 22 GLN
         HB2   105 LTNS ME      7.02
 54 ASP-
         HA    105 LTNS ME      4.49
         CG    105 LTNS ME      4.23
 56 ASN  
         HB2   105 LTNS ME      7.01
         HD22  105 LTNS ME      4.97
         CG    105 LTNS ME      3.52
 57 GLY 
         HA1   105 LTNS ME      5.79
 58 ASP-
         HN    105 LTNS ME      4.13
         HB2   105 LTNS ME      5.98
         HB3   105 LTNS ME      6.67
 59 GLY 
         HN    105 LTNS ME      4.33
         HA1   105 LTNS ME      6.88
 60 GLU-
         HN    105 LTNS ME      3.30
         HA    105 LTNS ME      6.69
 61 VAL
         HA    105 LTNS ME      4.70
         QG1   105 LTNS ME      7.00
         QG2   105 LTNS ME      6.25 
         CA    105 LTNS ME      4.78
 62 SER 
         HB2   105 LTNS ME      6.37
 64 GLU
         HB2   105 LTNS ME      7.09
         HB3   105 LTNS ME      7.64
         HG2   105 LTNS ME      6.25
 65 GLU
         HA    105 LTNS ME      6.77
         HG2   105 LTNS ME      6.25
         HG3   105 LTNS ME      4.98
         CG    105 LTNS ME      4.15
#
Pseudocontact shifts

  2 SER  CA     -0.14 1   0.15  0.25  1 
  3 PRO  CA     -0.01 1   0.15  0.25  1 
  4 GLU  CA     -0.04 1   0.15  0.25  1 
  5 GLU  CA     -0.15 1   0.15  0.25  1 
  6 LEU  CA     -0.12 1   0.15  0.25  1 
  7 LYS  CA     -0.21 1   0.30  0.02  1 
  8 GLY  CA     -0.18 1   0.15  0.25  1 
  9 ILE  CA     -0.15 1   0.15  0.25  1 
 10 PHE  CA     -0.19 1   0.15  0.25  1 
 11 GLU  CA     -0.22 1   0.15  0.25  1 
 12 LYS  CA     -0.22 1   0.15  0.25  1 
 13 TYR  CA     -0.37 1   0.30  0.02  1 
 14 ALA  CA     -0.35 1   0.15  0.25  1 
 15 ALA  CA     -0.22 1   0.15  0.25  1 
 16 LYS  CA     -0.33 1   0.30  0.02  1 
 17 GLU  CA     -0.18 1   0.15  0.25  1 
 18 GLY  CA     -0.22 1   0.30  0.02  1 
 19 ASP  CA     -0.18 1   0.15  0.25  1 
 20 PRO  CA     -0.32 1   0.15  0.25  1
 21 ASN  CA     -0.42 1   0.30  0.02  1
 23 LEU  CA     -0.72 1   0.70  0.02  1 
 24 SER  CA     -0.05 1   0.30  0.10  1 
 25 LYS  CA     -0.05 1   0.15  0.25  1 
 26 GLU  CA     -0.01 1   0.15  0.25  1 
 27 GLU  CA     -0.19 1   0.15  0.25  1 
 28 LEU  CA     -0.54 1   0.70  0.02  1 
 29 LYS  CA     -0.20 1   0.15  0.25  1 
 30 LEU  CA     -0.19 1   0.15  0.25  1 
 31 LEU  CA     -0.32 1   0.15  0.25  1
 32 LEU  CA     -0.14 1   0.15  0.25  1 
 33 GLN  CA     -0.13 1   0.15  0.25  1 
 34 THR  CA     -0.11 1   0.15  0.25  1 
 35 GLU  CA     -0.09 1   0.15  0.25  1 
 36 PHE  CA     -0.19 1   0.15  0.25  1 
 37 PRO  CA     -0.10 1   0.15  0.25  1 
 38 SER  CA     -0.11 1   0.15  0.25  1 
 39 LEU  CA     -0.17 1   0.15  0.25  1 
 40 LEU  CA     -0.28 1   0.30  0.02  1 
 41 LYS  CA     -0.33 1   0.30  0.02  1 
 42 GLY  CA     -0.15 1   0.15  0.25  1 
 43 MET  CA     -0.03 1   0.15  0.25  1
 44 SER  CA     -0.08 1   0.15  0.25  1 
 45 THR  CA     -0.03 1   0.15  0.25  1 
 46 LEU  CA     -0.11 1   0.15  0.25  1 
 47 ASP  CA     -0.18 1   0.30  0.02  1 
 48 GLU  CA     -0.19 1   0.15  0.25  1 
 49 LEU  CA     -0.33 1   0.15  0.25  1 
 50 PHE  CA     -0.48 1   0.15  0.25  1 
 51 GLU  CA     -0.43 1   0.70  0.02  1 
 52 GLU  CA     -0.61 1   0.70  0.02  1 
 53 LEU  CA     -1.49 1   0.70  0.02  1 
 62 SER  CA     -0.03 1   0.70  0.02  1
 63 PHE  CA      0.24 1   0.30  0.10  1
 64 GLU  CA      1.33 1   0.15  0.25  1 
 66 PHE  CA     -0.30 1   0.15  0.25  1 
 67 GLN  CA      0.23 1   0.15  0.25  1 
 69 LEU  CA     -0.23 1   0.15  0.25  1 
 70 VAL  CA     -0.33 1   0.30  0.02  1 
 71 LYS  CA     -0.24 1   0.30  0.02  1 
 72 LYS  CA     -0.41 1   0.30  0.02  1 
 73 ILE  CA     -0.36 1   0.30  0.02  1 
 74 SER  CA     -0.20 1   0.30  0.02  1 
 75 GLN  CA     -0.07 1   0.15  0.25  1 
  1 LYS  C       0.06 1   0.15  0.25  1
  2 SER  C      -0.00 1   0.15  0.25  1
  3 PRO  C      -0.03 1   0.15  0.25  1
  4 GLU  C      -0.07 1   0.15  0.25  1
  5 GLU  C      -0.03 1   0.15  0.25  1
  6 LEU  C      -0.01 1   0.15  0.25  1
  7 LYS  C      -0.03 1   0.15  0.25  1
  9 ILE  C      -0.10 1   0.15  0.25  1
 13 TYR  C      -0.10 1   0.15  0.25  1
 14 ALA  C      -0.14 1   0.15  0.25  1
 15 ALA  C      -0.32 1   0.30  0.02  1
 16 LYS  C      -0.14 1   0.15  0.25  1
 17 GLU  C      -0.07 1   0.15  0.25  1
 18 GLY  C      -0.42 1   0.30  0.02  1
 19 ASP  C       0.00 1   0.30  0.02  1
 20 PRO  C      -0.18 1   0.15  0.25  1
 23 LEU  C      -0.34 1   0.15  0.02  1    
 24 SER  C      -0.35 1   0.15  0.25  1
 25 LYS  C      -0.13 1   0.15  0.25  1
 26 GLU  C      -0.06 1   0.15  0.25  1
 27 GLU  C      -0.23 1   0.15  0.25  1
 28 LEU  C      -0.30 1   0.15  0.25  1
 29 LYS  C      -0.17 1   0.15  0.25  1
 30 LEU  C      -0.57 1   0.15  0.02  1
 31 LEU  C      -0.50 1   0.15  0.02  1
 33 GLN  C      -0.07 1   0.15  0.25  1
 34 THR  C      -0.11 1   0.15  0.25  1
 36 PHE  C      -0.00 1   0.15  0.25  1
 37 PRO  C      -0.06 1   0.15  0.25  1
 39 LEU  C      -0.14 1   0.15  0.25  1
 40 LEU  C      -0.20 1   0.15  0.25  1
 41 LYS  C      -0.13 1   0.15  0.25  1
 44 SER  C      -0.00 1   0.15  0.25  1
 45 THR  C      -0.06 1   0.15  0.25  1                                        
 46 LEU  C      -0.07 1   0.15  0.25  1
 47 ASP  C      -0.11 1   0.15  0.25  1
 50 PHE  C      -0.29 1   0.15  0.25  1
 51 GLU  C      -0.75 1   0.30  0.02  1
 62 SER  C       0.31 1   0.30  0.02  1
 63 PHE  C       0.33 1   0.30  0.02  1
 66 PHE  C      -0.22 1   0.15  0.25  1
 67 GLN  C      -0.17 1   0.30  0.02  1
 68 VAL  C      -0.01 1   0.15  0.25  1
 69 LEU  C      -0.20 1   0.15  0.25  1
 70 VAL  C      -0.27 1   0.30  0.02  1
 71 LYS  C      -0.06 1   0.15  0.25  1
 72 LYS  C      -0.14 1   0.15  0.25  1
 73 ILE  C      -0.11 1   0.15  0.25  1
 74 SER  C       0.01 1   0.15  0.25  1
  1 LYS  HA     -0.01 1   0.15  0.25  1 
  2 SER  HA      0.02 1   0.15  0.25  1 
  3 PRO  HA      0.01 1   0.15  0.25  1 
  4 GLU  HA      0.02 1   0.15  0.25  1 
  5 GLU  HA     -0.02 1   0.15  0.25  1 
  6 LEU  HA     -0.04 1   0.15  0.25  1 
  7 LYS  HA     -0.04 1   0.15  0.25  1 
  8 GLY  HA1    -0.05 1   0.15  0.25  1 
  8 GLY  HA2    -0.03 1   0.15  0.25  1 
  9 ILE  HA     -0.09 1   0.15  0.25  1 
 10 PHE  HA     -0.27 1   0.15  0.25  1 
 11 GLU  HA     -0.15 1   0.15  0.25  1 
 12 LYS  HA     -0.12 1   0.15  0.25  1 
 13 TYR  HA     -0.13 1   0.15  0.25  1 
 14 ALA  HA     -0.27 1   0.15  0.25  1 
 15 ALA  HA     -0.20 1   0.15  0.25  1 
 16 LYS  HA     -0.08 1   0.15  0.25  1 
 17 GLU  HA     -0.07 1   0.15  0.25  1 
 18 GLY  HA1    -0.01 1   0.15  0.25  1 
 18 GLY  HA2    -0.10 1   0.15  0.25  1 
 19 ASP  HA     -0.14 1   0.15  0.25  1 
 20 PRO  HA     -0.05 1   0.15  0.25  1
 21 ASN  HA     -0.12 1   0.15  0.25  1
 22 GLN  HA     -1.23 1   0.70  0.02  1 
 23 LEU  HA     -0.66 1   0.15  0.25  1 
 24 SER  HA      0.14 1   0.30  0.02  1 
 25 LYS  HA     -0.14 1   0.15  0.25  1 
 26 GLU  HA     -0.04 1   0.15  0.25  1 
 27 GLU  HA     -0.14 1   0.15  0.25  1 
 28 LEU  HA     -0.35 1   0.15  0.25  1 
 29 LYS  HA     -0.14 1   0.15  0.25  1 
 30 LEU  HA     -0.09 1   0.15  0.25  1 
 31 LEU  HA     -0.22 1   0.15  0.25  1
 32 LEU  HA     -0.17 1   0.15  0.25  1 
 33 GLN  HA     -0.09 1   0.15  0.25  1 
 34 THR  HA     -0.06 1   0.15  0.25  1 
 35 GLU  HA     -0.15 1   0.15  0.25  1 
 36 PHE  HA     -0.08 1   0.15  0.25  1 
 37 PRO  HA     -0.07 1   0.15  0.25  1 
 38 SER  HA     -0.07 1   0.15  0.25  1 
 39 LEU  HA     -0.09 1   0.15  0.25  1 
 40 LEU  HA     -0.07 1   0.15  0.25  1 
 41 LYS  HA     -0.03 1   0.15  0.25  1 
 42 GLY  HA1    -0.04 1   0.15  0.25  1 
 42 GLY  HA2    -0.07 1   0.15  0.25  1 
 43 MET  HA     -0.05 1   0.15  0.25  1
 44 SER  HA     -0.07 1   0.15  0.25  1 
 45 THR  HA     -0.05 1   0.15  0.25  1 
 46 LEU  HA     -0.14 1   0.15  0.25  1 
 47 ASP  HA      0.02 1   0.15  0.25  1 
 48 GLU  HA      0.05 1   0.15  0.25  1 
 49 LEU  HA     -0.28 1   0.15  0.25  1 
 50 PHE  HA     -0.64 1   0.15  0.25  1 
 51 GLU  HA     -0.02 1   0.15  0.25  1 
 52 GLU  HA     -0.45 1   0.15  0.25  1 
 62 SER  HA     -0.62 1   0.15  0.25  1
 66 PHE  HA     -0.53 1   0.15  0.25  1 
 67 GLN  HA     -0.01 1   0.15  0.25  1 
 68 VAL  HA      0.05 1   0.15  0.25  1 
 69 LEU  HA     -0.22 1   0.15  0.25  1 
 70 VAL  HA      0.00 1   0.15  0.25  1 
 71 LYS  HA     -0.01 1   0.15  0.25  1 
 72 LYS  HA     -0.04 1   0.15  0.25  1 
 73 ILE  HA     -0.03 1   0.15  0.25  1 
 74 SER  HA     -0.05 1   0.15  0.25  1 
 75 GLN  HA     -0.02 1   0.15  0.25  1 
 75 GLN  NE2    -0.03 1   0.15  0.25  1
  1 MET  HB2    -0.00 1   0.15  0.25  1
  1 MET  HB3    -0.00 1   0.15  0.25  1
  1 MET  HG2    -0.00d2   0.15  0.10  1
  1 MET  HG3    -0.00 1   0.15  0.25  1
  1 MET  HD2    -0.02d2   0.15  0.10  1
  1 MET  HD3    -0.02 1   0.15  0.25  1
  1 MET  HE2    -0.00d2   0.15  0.10  1
  1 MET  HE3    -0.00 1   0.15  0.25  1
  2 SER  HB2    -0.00 1   0.15  0.25  1
  2 SER  HB3    -0.01 1   0.15  0.25  1
  3 PRO  HB2     0.04 1   0.15  0.25  1
  3 PRO  HB3     0.04 1   0.15  0.25  1
  3 PRO  HG2     0.04 1   0.15  0.25  1
  3 PRO  HG3     0.02 1   0.15  0.25  1
  3 PRO  HD2     0.01 1   0.15  0.25  1
  3 PRO  HD3     0.01 1   0.15  0.25  1
  4 GLU  HB2     0.03 1   0.15  0.25  1
  4 GLU  HB3    -0.00 1   0.15  0.25  1
  4 GLU  HG2    -0.00 1   0.15  0.25  1
  4 GLU  HG3    -0.01 1   0.15  0.25  1
  5 GLU  HB2    -0.02 1   0.15  0.25  1
  5 GLU  HB3    -0.03 1   0.15  0.25  1
  5 GLU  HG2    -0.02 1   0.15  0.25  1
  5 GLU  HG3    -0.02 1   0.15  0.25  1
  6 LEU  HB2    -0.01 1   0.15  0.25  1
  6 LEU  HB3    -0.00 1   0.15  0.25  1
  6 LEU  HG     -0.02 1   0.15  0.25  1
  6 LEU  HD11   -0.09d3   0.15  0.10  1
  6 LEU  HD12   -0.09 1   0.15  0.25  1
  6 LEU  HD13   -0.09 1   0.15  0.25  1
  6 LEU  HD21   -0.05d3   0.15  0.10  1
  6 LEU  HD22   -0.05 1   0.15  0.25  1
  6 LEU  HD23   -0.05 1   0.15  0.25  1
  7 LYS  HB2    -0.01 1   0.15  0.25  1
  7 LYS  HB3    -0.02 1   0.15  0.25  1
  7 LYS  HG2    -0.01 1   0.15  0.25  1
  7 LYS  HG3    -0.00 1   0.15  0.25  1
  7 LYS  HD2     0.02d2   0.15  0.10  1
  7 LYS  HD3     0.02 1   0.15  0.25  1
  7 LYS  HE2     0.05 1   0.15  0.25  1
  7 LYS  HE3     0.04 1   0.15  0.25  1
  9 ILE  HB     -0.07 1   0.15  0.25  1
  9 ILE  HG12   -0.07 1   0.15  0.25  1
  9 ILE  HG21   -0.11d3   0.15  0.10  1
  9 ILE  HG22   -0.11 1   0.15  0.25  1
  9 ILE  HG23   -0.11 1   0.15  0.25  1
  9 ILE  HD11   -0.06d3   0.15  0.10  1
  9 ILE  HD12   -0.06 1   0.15  0.25  1
  9 ILE  HD13   -0.06 1   0.15  0.25  1
 10 PHE  HB2    -0.13 1   0.15  0.25  1
 10 PHE  HB3    -0.12 1   0.15  0.25  1
 10 PHE  HD1    -0.16d2   0.15  0.10  1
 10 PHE  HD2    -0.16 1   0.15  0.25  1
 10 PHE  HE1    -0.52d2   0.30  0.02  1 
 10 PHE  HE2    -0.52 1   0.30  0.02  1 
 10 PHE  HZ     -0.74 1   0.30  0.10  1
 11 GLU  HB2    -0.08 1   0.15  0.25  1
 11 GLU  HB3    -0.08 1   0.15  0.25  1
 11 GLU  HG2    -0.07 1   0.15  0.25  1
 11 GLU  HG3    -0.06 1   0.15  0.25  1
 12 LYS  HB2    -0.04 1   0.15  0.25  1
 12 LYS  HB3    -0.06 1   0.15  0.25  1
 12 LYS  HG2    -0.15 1   0.15  0.25  1
 12 LYS  HG3    -0.11 1   0.15  0.25  1
 12 LYS  HD2    -0.11 1   0.15  0.25  1
 12 LYS  HD3    -0.11 1   0.15  0.25  1
 12 LYS  HE2    -0.06d2   0.15  0.10  1
 12 LYS  HE3    -0.06 1   0.15  0.25  1
 13 TYR  HB2    -0.25 1   0.15  0.25  1
 13 TYR  HB3    -0.14 1   0.15  0.25  1
 13 TYR  HD1    -0.14d2   0.15  0.10  1
 13 TYR  HD2    -0.14 1   0.15  0.25  1
 13 TYR  HE1    -0.10d2   0.15  0.10  1
 13 TYR  HE2    -0.10 1   0.15  0.25  1
 14 ALA  HB1    -0.37d3   0.30  0.02  1 
 14 ALA  HB2    -0.37 1   0.30  0.02  1 
 14 ALA  HB3    -0.37 1   0.30  0.02  1
 15 ALA  HB1    -0.10d3   0.15  0.10  1
 15 ALA  HB2    -0.10 1   0.15  0.25  1
 15 ALA  HB3    -0.10 1   0.15  0.25  1
 16 LYS  HB2    -0.12 1   0.15  0.25  1
 16 LYS  HB3    -0.10 1   0.15  0.25  1
 16 LYS  HG2    -0.08 1   0.15  0.25  1
 16 LYS  HG3    -0.19 1   0.15  0.25  1
 16 LYS  HD2    -0.10 1   0.15  0.25  1
 16 LYS  HD3    -0.07 1   0.15  0.25  1
 16 LYS  HE2    -0.09 1   0.15  0.25  1
 16 LYS  HE3    -0.07 1   0.15  0.25  1
 17 GLU  HB2    -0.01 1   0.15  0.25  1
 17 GLU  HB3    -0.06 1   0.15  0.25  1
 17 GLU  HG2    -0.08 1   0.15  0.25  1
 17 GLU  HG3    -0.04 1   0.15  0.25  1
 19 ASP  HB2    -0.24 1   0.30  0.10  1 
 19 ASP  HB3    -0.41 1   0.30  0.10  1
 20 PRO  HB2    -0.05 1   0.15  0.25  1
 20 PRO  HB3    -0.05 1   0.15  0.25  1
 20 PRO  HG2    -0.15 1   0.15  0.25  1
 20 PRO  HG3    -0.08 1   0.15  0.25  1
 20 PRO  HD2    -0.16 1   0.15  0.25  1
 20 PRO  HD3    -0.19 1   0.15  0.25  1
 21 ASN  HB2    -0.18 1   0.15  0.25  1
 21 ASN  HB3    -0.08 1   0.15  0.25  1
 21 ASN  HD21   -0.05 1   0.15  0.25  1
 21 ASN  HD22   -0.04 1   0.15  0.25  1
 22 GLN  HB2    -1.07 1   0.70  0.02  1
 22 GLN  HB3    -1.67 1   0.70  0.02  1
 22 GLN  HG2    -0.78 1   0.70  0.02  1
 22 GLN  HG3    -0.91 1   0.70  0.02  1
 22 GLN  HE22   -1.00 1   0.70  0.02  1
 22 GLN  HE21   -0.75 1   0.70  0.02  1
 23 LEU  HB2    -1.18 1   0.70  0.02  1 
 23 LEU  HB3    -0.88 1   0.70  0.02  1 
 23 LEU  HG     -0.66 1   0.70  0.02  1 
 23 LEU  HD11   -0.71d3   0.30  0.02  1 
 23 LEU  HD12   -0.71 1   0.30  0.02  1 
 23 LEU  HD13   -0.71 1   0.30  0.02  1 
 23 LEU  HD21   -0.40d3   0.30  0.02  1 
 23 LEU  HD22   -0.40 1   0.30  0.02  1 
 23 LEU  HD23   -0.40 1   0.30  0.02  1 
 24 SER  HB2     0.18 1   0.30  0.02  1
 24 SER  HB3    -0.02 1   0.30  0.02  1
 25 LYS  HB2     0.26 1   0.15  0.25  1
 25 LYS  HB3     0.19 1   0.15  0.25  1
 25 LYS  HG2     0.05 1   0.15  0.25  1
 25 LYS  HG3    -0.07 1   0.15  0.25  1
 25 LYS  HD2     0.21d2   0.30  0.02  1 
 25 LYS  HD3     0.21 1   0.30  0.02  1 
 25 LYS  HE2     0.25d2   0.30  0.02  1 
 25 LYS  HE3     0.25 1   0.30  0.02  1
 26 GLU  HB2    -0.01 1   0.15  0.25  1
 26 GLU  HB3    -0.06 1   0.15  0.25  1
 26 GLU  HG2     0.01 1   0.15  0.25  1
 26 GLU  HG3     0.01 1   0.15  0.25  1
 27 GLU  HB2    -0.31 1   0.15  0.25  1 
 27 GLU  HB3    -0.20 1   0.15  0.25  1
 27 GLU  HG2    -0.18 1   0.15  0.25  1
 27 GLU  HG2    -0.05 1   0.15  0.25  1
 28 LEU  HB2    -0.32 1   0.30  0.02  1
 28 LEU  HB3    -0.18 1   0.30  0.02  1 
 28 LEU  HG     -0.36 1   0.30  0.02  1
 29 LYS  HB2    -0.08 1   0.15  0.25  1
 29 LYS  HB3    -0.07 1   0.15  0.25  1
 29 LYS  HG2    -0.08 1   0.15  0.25  1
 29 LYS  HG3    -0.08 1   0.15  0.25  1
 29 LYS  HD2    -0.06d2   0.15  0.10  1
 29 LYS  HD3    -0.06 1   0.15  0.25  1
 29 LYS  HE2    -0.07d2   0.15  0.10  1
 29 LYS  HE3    -0.07 1   0.15  0.25  1
 30 LEU  HB2    -0.11 1   0.15  0.25  1
 30 LEU  HB3    -0.10 1   0.15  0.25  1
 30 LEU  HG     -0.10 1   0.15  0.25  1
 30 LEU  HD11   -0.06d3   0.15  0.10  1
 30 LEU  HD12   -0.06 1   0.15  0.25  1
 30 LEU  HD13   -0.06 1   0.15  0.25  1
 30 LEU  HD21   -0.02d3   0.15  0.10  1
 30 LEU  HD22   -0.02 1   0.15  0.25  1
 30 LEU  HD23   -0.02 1   0.15  0.25  1
 31 LEU  HB2    -0.21 1   0.15  0.25  1 
 31 LEU  HB3    -0.24 1   0.15  0.25  1 
 31 LEU  HD11   -0.27d3   0.15  0.10  1 
 31 LEU  HD12   -0.27 1   0.15  0.25  1 
 31 LEU  HD13   -0.27 1   0.15  0.25  1 
 31 LEU  HD21   -0.22d3   0.15  0.10  1 
 31 LEU  HD22   -0.22 1   0.15  0.25  1 
 31 LEU  HD23   -0.22 1   0.15  0.25  1
 32 LEU  HB2    -0.17 1   0.15  0.25  1
 32 LEU  HB3    -0.16 1   0.15  0.25  1
 32 LEU  HG     -0.23 1   0.15  0.25  1 
 32 LEU  HD11   -0.21d3   0.15  0.10  1 
 32 LEU  HD12   -0.21 1   0.15  0.25  1 
 32 LEU  HD13   -0.21 1   0.15  0.25  1 
 32 LEU  HD21   -0.20d3   0.15  0.10  1 
 32 LEU  HD22   -0.20 1   0.15  0.25  1 
 32 LEU  HD23   -0.20 1   0.15  0.25  1 
 33 GLN  HB2    -0.08 1   0.15  0.25  1
 33 GLN  HB3    -0.08 1   0.15  0.25  1
 33 GLN  HG2    -0.07 1   0.15  0.25  1
 33 GLN  HG3    -0.08 1   0.15  0.25  1
 33 GLN  HE21   -0.05 1   0.15  0.25  1
 33 GLN  HE22   -0.05 1   0.15  0.25  1
 34 THR  HB     -0.10 1   0.15  0.25  1
 34 THR  HG21   -0.07d3   0.15  0.10  1
 34 THR  HG22   -0.07 1   0.15  0.25  1
 34 THR  HG23   -0.07 1   0.15  0.25  1
 35 GLU  HB2    -0.13 1   0.15  0.25  1
 35 GLU  HB3    -0.10 1   0.15  0.25  1
 36 PHE  HB2    -0.12 1   0.15  0.25  1
 36 PHE  HB3    -0.11 1   0.15  0.25  1
 37 PRO  HB2    -0.07 1   0.15  0.25  1
 37 PRO  HB3    -0.07 1   0.15  0.25  1
 37 PRO  HG2    -0.06 1   0.15  0.25  1
 37 PRO  HG3    -0.06 1   0.15  0.25  1
 37 PRO  HD2    -0.08 1   0.15  0.25  1
 37 PRO  HD3    -0.06 1   0.15  0.25  1
 38 SER  HB2    -0.06 1   0.15  0.25  1
 38 SER  HB3    -0.05 1   0.15  0.25  1
 39 LEU  HB2    -0.11 1   0.15  0.25  1
 39 LEU  HB3    -0.15 1   0.15  0.25  1
 39 LEU  HG     -0.10 1   0.15  0.25  1
 39 LEU  HD11   -0.14d6   0.15  0.10  1
 39 LEU  HD12   -0.14 1   0.15  0.25  1
 39 LEU  HD13   -0.14 1   0.15  0.25  1
 39 LEU  HD21   -0.14 1   0.15  0.25  1
 39 LEU  HD22   -0.14 1   0.15  0.25  1
 39 LEU  HD23   -0.14 1   0.15  0.25  1
 40 LEU  HB2    -0.07 1   0.15  0.25  1
 40 LEU  HB3    -0.08 1   0.15  0.25  1
 40 LEU  HG     -0.13 1   0.15  0.25  1
 40 LEU  HD11   -0.09d3   0.15  0.10  1
 40 LEU  HD12   -0.09 1   0.15  0.25  1
 40 LEU  HD13   -0.09 1   0.15  0.25  1
 40 LEU  HD21   -0.11d3   0.15  0.10  1
 40 LEU  HD22   -0.11 1   0.15  0.25  1
 40 LEU  HD23   -0.11 1   0.15  0.25  1
 41 LYS  HB2    -0.06 1   0.15  0.25  1
 41 LYS  HB3    -0.02 1   0.15  0.25  1
 41 LYS  HG2    -0.06 1   0.15  0.25  1
 41 LYS  HG3    -0.05 1   0.15  0.25  1
 41 LYS  HD2    -0.06d2   0.15  0.10  1
 41 LYS  HD3    -0.06 1   0.15  0.25  1
 41 LYS  HE2    -0.05d2   0.15  0.10  1
 41 LYS  HE3    -0.05 1   0.15  0.25  1
 43 MET  HB2    -0.06 1   0.15  0.25  1
 43 MET  HB3    -0.05 1   0.15  0.25  1
 43 MET  HG2    -0.04 1   0.15  0.25  1
 43 MET  HG3    -0.03 1   0.15  0.25  1
 44 SER  HB2    -0.09 1   0.15  0.25  1
 44 SER  HB3    -0.08 1   0.15  0.25  1
 45 THR  HB     -0.04 1   0.15  0.25  1
 45 THR  HG21   -0.05d3   0.15  0.10  1
 45 THR  HG22   -0.05 1   0.15  0.25  1
 45 THR  HG23   -0.05 1   0.15  0.25  1
 46 LEU  HB2    -0.09 1   0.15  0.25  1
 46 LEU  HB3    -0.05 1   0.15  0.25  1
 46 LEU  HG     -0.11 1   0.15  0.25  1
 46 LEU  HD11   -0.08d3   0.15  0.10  1
 46 LEU  HD12   -0.08 1   0.15  0.25  1
 46 LEU  HD13   -0.08 1   0.15  0.25  1
 46 LEU  HD21   -0.13d3   0.15  0.10  1
 46 LEU  HD22   -0.13 1   0.15  0.25  1
 46 LEU  HD23   -0.13 1   0.15  0.25  1
 47 ASP  HB2     0.01 1   0.15  0.25  1
 47 ASP  HB3     0.05 1   0.15  0.25  1
 48 GLU  HB2    -0.04 1   0.15  0.25  1
 48 GLU  HB3    -0.04 1   0.15  0.25  1
 49 LEU  HB2    -0.20 1   0.15  0.25  1
 49 LEU  HB3    -0.31 1   0.15  0.25  1 
 49 LEU  HG     -0.30 1   0.15  0.25  1 
 49 LEU  HD11   -0.26d3   0.15  0.10  1 
 49 LEU  HD12   -0.26 1   0.15  0.25  1 
 49 LEU  HD13   -0.26 1   0.15  0.25  1 
 49 LEU  HD21   -0.24d3   0.15  0.10  1 
 49 LEU  HD22   -0.24 1   0.15  0.25  1 
 49 LEU  HD23   -0.24 1   0.15  0.25  1
 50 PHE  HB2    -0.18 1   0.30  0.02  1
 50 PHE  HB3    -0.02 1   0.30  0.02  1
 50 PHE  HD1     0.01d2   0.30  0.02  1
 50 PHE  HD2     0.01 1   0.30  0.02  1
 50 PHE  HE1     0.59d2   0.30  0.02  1 
 50 PHE  HE2     0.59 1   0.30  0.02  1 
 50 PHE  HZ      1.03 1   0.30  0.02  1
 51 GLU  HB2     0.05 1   0.15  0.25  1
 51 GLU  HB3     0.03 1   0.15  0.25  1
 51 GLU  HG2     0.29 1   0.15  0.25  1 
 51 GLU  HG3     0.27 1   0.15  0.25  1 
 52 GLU  HB2    -0.40 1   0.15  0.25  1 
 52 GLU  HB3    -0.40 1   0.15  0.25  1 
 52 GLU  HG2    -0.29 1   0.15  0.25  1 
 53 LEU  HG     -0.71 1   0.30  0.10  1 
 53 LEU  HD11   -0.70d3   0.30  0.02  1 
 53 LEU  HD12   -0.70 1   0.30  0.02  1 
 53 LEU  HD13   -0.70 1   0.30  0.02  1 
 53 LEU  HD21   -0.70d3   0.30  0.02  1 
 53 LEU  HD22   -0.70 1   0.30  0.02  1 
 53 LEU  HD23   -0.70 1   0.30  0.02  1 
 55 LYS  HB2    -0.57 1   0.30  0.02  1
 55 LYS  HB3    -0.64 1   0.30  0.02  1
 55 LYS  HG2    -0.48 1   0.30  0.02  1
 55 LYS  HG3    -0.54 1   0.30  0.02  1
 61 VAL  HG21   -3.75d3   0.30  0.02  1 
 61 VAL  HG22   -3.75d3   0.30  0.02  1 
 61 VAL  HG23   -3.75d3   0.30  0.02  1 
 61 VAL  HG12   -2.32d3   0.30  0.02  1 
 61 VAL  HG13   -2.32d3   0.30  0.02  1 
 62 SER  HB2     2.33d3   0.30  0.10  1 
 62 SER  HB3     2.36 1   0.30  0.02  1 
 62 SER  HG      6.86 1   0.30  0.02  1
 63 PHE  HD1     0.26d2   0.30  0.02  1 
 63 PHE  HD2     0.26 1   0.30  0.02  1
 63 PHE  HE1     0.12d2   0.15  0.10  1
 63 PHE  HE2     0.12 1   0.15  0.25  1
 64 GLU  HB2     1.4  1   0.30  0.02  1 
 64 GLU  HB3     1.6  1   0.30  0.02  1 
 64 GLU  HG2     1.44 1   0.30  0.02  1 
 64 GLU  HG3     1.54 1   0.30  0.02  1 
 66 PHE  HB2    -0.44 1   0.30  0.02  1 
 66 PHE  HB3    -0.28 1   0.30  0.02  1 
 66 PHE  HD1    -0.33d2   0.30  0.02  1 
 66 PHE  HD2    -0.33 1   0.30  0.02  1
 66 PHE  HE1    -0.20d2   0.30  0.02  1
 66 PHE  HE2    -0.20 1   0.30  0.02  1
 67 GLN  HB2     0.18 1   0.30  0.02  1
 67 GLN  HB3     0.18 1   0.30  0.02  1
 67 GLN  HG2     0.18 1   0.30  0.02  1
 67 GLN  HG3     0.22 1   0.30  0.02  1 
 67 GLN  HE21    0.43 1   0.30  0.02  1 
 67 GLN  HE22    0.28 1   0.30  0.10  1
 68 VAL  HB     -0.12 1   0.15  0.02  1
 68 VAL  HG12   -0.09 1   0.15  0.25  1
 68 VAL  HG13   -0.09 1   0.15  0.25  1
 68 VAL  HG21    0.07d3   0.15  0.10  1
 68 VAL  HG22    0.07 1   0.15  0.25  1
 68 VAL  HG23    0.07 1   0.15  0.25  1
 69 LEU  HB2    -0.32 1   0.15  0.25  1
 69 LEU  HB3    -0.33 1   0.15  0.25  1
 69 LEU  HG     -0.20 1   0.15  0.25  1
 69 LEU  HD21   -0.29d3   0.15  0.10  1 
 69 LEU  HD22   -0.29 1   0.15  0.25  1 
 69 LEU  HD23   -0.29 1   0.15  0.25  1 
 69 LEU  HD11   -0.32d3   0.15  0.10  1 
 69 LEU  HD12   -0.32 1   0.15  0.25  1 
 69 LEU  HD13   -0.32 1   0.15  0.25  1
 70 VAL  HB      0.01 1   0.15  0.25  1
 70 VAL  HG12    0.01 1   0.15  0.25  1
 70 VAL  HG13    0.01 1   0.15  0.25  1
 70 VAL  HG21   -0.00d3   0.15  0.10  1
 70 VAL  HG22   -0.00 1   0.15  0.25  1
 70 VAL  HG23   -0.00 1   0.15  0.25  1
 71 LYS  HB2    -0.03 1   0.15  0.25  1
 71 LYS  HB3    -0.05 1   0.15  0.25  1
 71 LYS  HG2    -0.02 1   0.15  0.25  1
 71 LYS  HG3    -0.02 1   0.15  0.25  1
 71 LYS  HD2     0.01d2   0.15  0.10  1
 71 LYS  HD3     0.01 1   0.15  0.25  1
 71 LYS  HE2     0.03d2   0.15  0.10  1
 71 LYS  HE3     0.03 1   0.15  0.25  1
 72 LYS  HB2    -0.13d2   0.15  0.10  1
 72 LYS  HB3    -0.13 1   0.15  0.25  1
 72 LYS  HG2    -0.07 1   0.15  0.25  1
 72 LYS  HG3    -0.07 1   0.15  0.25  1
 72 LYS  HE2    -0.15 1   0.15  0.25  1
 72 LYS  HE3    -0.15 1   0.15  0.25  1
 73 ILE  HB     -0.05 1   0.15  0.25  1
 73 ILE  HG12   -0.10 1   0.15  0.25  1
 73 ILE  HG21   -0.09d3   0.15  0.10  1
 73 ILE  HG22   -0.09 1   0.15  0.25  1
 73 ILE  HG23   -0.09 1   0.15  0.25  1
 73 ILE  HD11   -0.05d3   0.15  0.10  1
 73 ILE  HD12   -0.05 1   0.15  0.25  1
 73 ILE  HD13   -0.05 1   0.15  0.25  1
 74 SER  HB2    -0.04d2   0.15  0.10  1
 74 SER  HB3    -0.04 1   0.15  0.25  1
 75 GLN  HB2    -0.07 1   0.15  0.25  1
 75 GLN  HB3    -0.08 1   0.15  0.25  1
 75 GLN  HG2    -0.06 1   0.15  0.25  1
 75 GLN  HG3    -0.06 1   0.15  0.25  1
 75 GLN  HE22   -0.03 1   0.15  0.25  1
 75 GLN  HE21   -0.03 1   0.15  0.25  1
  1 LYS  N       0.00 1   0.15  0.25  1
  1 LYS  HN     -0.02 1   0.15  0.25  1
  2 SER  N      -0.03 1   0.15  0.25  1
  2 SER  HN     -0.02 1   0.15  0.25  1
  4 GLU  N      -0.02 1   0.15  0.25  1
  4 GLU  HN      0.00 1   0.15  0.25  1
  5 GLU  N       0.01 1   0.15  0.25  1
  5 GLU  HN     -0.01 1   0.15  0.25  1
  6 LEU  N      -0.01 1   0.15  0.25  1
  6 LEU  HN     -0.03 1   0.15  0.25  1
  7 LYS  N      -0.04 1   0.15  0.25  1
  7 LYS  HN      0.00 1   0.15  0.25  1
  8 GLY  N       0.02 1   0.15  0.25  1
  8 GLY  HN     -0.04 1   0.15  0.25  1
  9 ILE  N      -0.08 1   0.15  0.25  1
  9 ILE  HN     -0.08 1   0.15  0.25  1
 10 PHE  N      -0.16 1   0.15  0.25  1
 10 PHE  HN     -0.10 1   0.15  0.25  1
 11 GLU  N      -0.17 1   0.26  0.25  1
 11 GLU  HN     -0.11 1   0.15  0.25  1
 12 LYS  N      -0.14 1   0.15  0.25  1
 12 LYS  HN     -0.11 1   0.15  0.25  1
 13 TYR  N      -0.18 1   0.15  0.25  1
 13 TYR  HN     -0.17 1   0.15  0.25  1
 14 ALA  N      -0.23 1   0.15  0.25  1
 14 ALA  HN     -0.21 1   0.15  0.25  1
 15 ALA  N      -0.17 1   0.15  0.25  1
 15 ALA  HN     -0.17 1   0.15  0.25  1
 16 LYS  N      -0.22 1   0.45  0.25  1
 16 LYS  HN     -0.14 1   0.15  0.25  1
 17 GLU  N      -0.09 1   0.15  0.25  1
 17 GLU  HN     -0.12 1   0.15  0.25  1
 18 GLY  N      -0.06 1   0.56  0.25  1
 18 GLY  HN     -0.04 1   0.15  0.25  1
 19 ASP  N      -0.28 1   0.41  0.25  1
 19 ASP  HN     -0.18 1   0.15  0.25  1
 21 ASN  N      -0.32 1   0.81  0.25  1
 21 ASN  HN     -0.26 1   0.19  0.25  1
 22 GLN  N      -0.64 1   0.15  0.25  1
 22 GLN  HN      0.06 1   0.15  0.25  1
 22 GLN  NE2    -2.34 1   0.10 -1.00  1
 23 LEU  N      -1.14 1   0.46  0.25  1
 23 LEU  HN     -1.54 1   0.15  0.25  1
 24 SER  N      -0.41 1   0.18  0.25  1
 24 SER  HN     -0.35 1   0.15  0.25  1
 25 LYS  N       0.02 1   0.15  0.25  1
 25 LYS  HN      0.24 1   0.15  0.25  1
 26 GLU  N       0.01 1   0.22  0.25  1
 26 GLU  HN      0.05 1   0.15  0.25  1
 27 GLU  N      -0.18 1   0.15  0.25  1
 27 GLU  HN     -0.11 1   0.15  0.25  1
 28 LEU  N      -0.30 1   0.15  0.25  1
 28 LEU  HN     -0.29 1   0.15  0.25  1
 29 LYS  N      -0.27 1   0.24  0.25  1
 29 LYS  HN     -0.14 1   0.15  0.25  1
 30 LEU  N      -0.19 1   0.15  0.25  1
 30 LEU  HN     -0.13 1   0.15  0.25  1
 31 LEU  N      -0.17 1   0.15  0.25  1
 31 LEU  HN     -0.18 1   0.15  0.25  1
 32 LEU  N      -0.17 1   0.15  0.25  1
 32 LEU  HN     -0.18 1   0.15  0.25  1
 33 GLN  N      -0.12 1   0.15  0.25  1
 33 GLN  HN     -0.13 1   0.15  0.25  1
 34 THR  N      -0.09 1   0.15  0.25  1
 34 THR  HN     -0.10 1   0.15  0.25  1
 35 GLU  N      -0.11 1   0.15  0.25  1
 35 GLU  HN     -0.11 1   0.15  0.25  1
 36 PHE  N      -0.12 1   0.15  0.25  1
 36 PHE  HN     -0.11 1   0.15  0.25  1
 38 SER  N      -0.04 1   0.15  0.25  1
 38 SER  HN     -0.08 1   0.15  0.25  1
 39 LEU  N      -0.09 1   0.15  0.25  1
 39 LEU  HN     -0.09 1   0.15  0.25  1
 40 LEU  N      -0.08 1   0.15  0.25  1
 40 LEU  HN     -0.09 1   0.15  0.25  1
 41 LYS  N      -0.09 1   0.18  0.25  1
 41 LYS  HN     -0.08 1   0.15  0.25  1
 42 GLY  N      -0.03 1   0.22  0.25  1
 42 GLY  HN     -0.07 1   0.15  0.25  1
 43 MET  N        .04 1    .29 -1.00  1
 43 MET  HN      -.10 1    .15 -1.00  1
 44 SER  N       -.03 1    .15 -1.00  1
 44 SER  HN      -.07 1    .15 -1.00  1
 45 THR  N      -0.17 1   0.89  0.25  1
 45 THR  HN     -0.07 1   0.18  0.25  1
 46 LEU  N      -0.01 1   0.74  0.25  1
 46 LEU  HN     -0.06 1   0.15  0.25  1
 47 ASP  N      -0.14 1   0.56  0.25  1
 47 ASP  HN      0.01 1   0.15  0.25  1
 48 GLU  N      -0.07 1   0.64  0.25  1
 48 GLU  HN     -0.03 1   0.15  0.25  1
 49 LEU  N      -0.22 1   1.08  0.25  1
 49 LEU  HN     -0.13 1   0.15  0.25  1
 50 PHE  N      -0.34 1   0.15  0.25  1
 50 PHE  HN     -0.22 1   0.15  0.25  1
 51 GLU  N       0.24 1   0.15  0.25  1
 51 GLU  HN     -0.11 1   0.15  0.25  1
 52 GLU  N      -0.50 1   0.15  0.25  1
 52 GLU  HN     -0.34 1   0.15  0.25  1
 53 LEU  N      -1.32 1   0.93  0.25  1
 53 LEU  HN     -0.98 1   0.15  0.25  1
 61 VAL  N      -8.22 1   2.18 -1.00  1
 61 VAL  HN     -2.77 1    .24 -1.00  1
 63 PHE  N       0.37 1   0.22  0.25  1
 63 PHE  HN      0.40 1   0.15  0.25  1
 64 GLU  N       0.73 1   0.15  0.25  1
 64 GLU  HN      1.30 1   0.15  0.25  1
 65 GLU  N       1.74 1   0.24  0.25  1
 65 GLU  HN      2.41 1   0.15  0.25  1
 66 PHE  N       0.17 1   0.27  0.25  1
 66 PHE  HN      0.01 1   0.15  0.25  1
 67 GLN  N      -0.16 1   0.15  0.25  1
 67 GLN  HN      0.24 1   0.15  0.25  1
 68 VAL  N      -0.07 1   0.23  0.25  1
 68 VAL  HN      0.02 1   0.15  0.25  1
 69 LEU  N      -0.31 1   0.17  0.25  1
 69 LEU  HN     -0.19 1   0.15  0.25  1
 70 VAL  N      -0.30 1   0.15  0.25  1
 70 VAL  HN     -0.08 1   0.15  0.25  1
 71 LYS  N       0.03 1   0.15  0.25  1
 71 LYS  HN     -0.02 1   0.15  0.25  1
 72 LYS  N      -0.08 1   0.15  0.25  1
 72 LYS  HN     -0.08 1   0.15  0.25  1
 73 ILE  N      -0.01 1   0.23  0.25  1
 73 ILE  HN     -0.06 1   0.15  0.25  1
 74 SER  N      -0.09 1   0.18  0.25  1
 74 SER  HN     -0.04 1   0.15  0.25  1
 75 GLN  N      -0.07 1   0.15  0.25  1
 75 GLN  HN     -0.02 1   0.15  0.25  1
 21 ASN  ND2     0.13 1   0.34  0.02  1
 22 GLN  NE2    -1.17 1   1.16  0.02  1
 33 GLN  NE2    -0.05 1   0.27  0.02  1
 67 GLN  NE2     0.17 1   0.15  0.02  1
 75 GLN  NE2    -0.03 1   0.15  0.02  1
 53 LEU  CA     -1.52 1   0.10  0.02  1
 53 LEU  HA     -1.07 1   0.10  0.02  1
 53 LEU  HB2    -1.93 1   0.20  0.02  1
 53 LEU  HB3    -1.83 1   0.20  0.02  1
 53 LEU  C      -2.60 1   0.10  0.02  1
 54 ASP  HN     -1.52 1   0.20  0.02  1
 54 ASP  N      -2.02 1   0.20  0.02  1
 55 LYS  HN     -2.85 1   0.30  0.02  1
 56 ASN  HN     -5.66 1   0.20  0.02  1
 57 GLY  HN     -1.40 1   0.20  0.02  1
 57 GLY  CA      0.47 1   0.10  0.02  1
 57 GLY  HA1     0.73d2   0.10  0.02  1
 57 GLY  HA2     0.73d2   0.10  0.02  1
 57 GLY  C       0.60 1   0.10  0.02  1
 58 ASP  HN      9.66 1   0.30  0.02  1
 58 ASP  N       3.56 1   0.20  0.02  1
 58 ASP  C       6.70 1   0.30  0.02  1
 59 GLY  CA      5.10 1   0.10  0.02  1
 59 GLY  HA1     3.97 1   0.20  0.02  1
 59 GLY  HA2     3.58 1   0.20  0.02  1
 61 VAL  HB     -2.71 1   0.20  0.02  1
 62 SER  CA      0.00 1   0.10  0.02  1
 62 SER  C       0.28 1   0.10  0.02  1
 63 PHE  CA      0.30 1   0.10  0.02  1
 63 PHE  HA      0.03 1   0.10  0.02  1
 63 PHE  C       1.20 1   0.10  0.02  1
 64 GLU  CA      1.30 1   0.10  0.02  1
 65 GLU  CA      0.80 1   0.10  0.02  1
 65 GLU  HA      1.12 1   0.10  0.02  1
 66 PHE  CA     -0.30 1   0.10  0.02  1
 66 PHE  C      -0.12 1   0.10  0.02  1
 67 GLN  CA      0.23 1   0.10  0.02  1
 67 GLN  C      -0.17 1   0.10  0.02  1
  1 LYS  N       0.02 1   0.15  0.50  2
  1 LYS  HN      0.00 1   0.15  0.50  2
  2 SER  N       0.00 1   0.15  0.50  2
  2 SER  HN      0.00 1   0.15  0.50  2
  4 GLU  N       0.04 1   0.15  0.50  2
  4 GLU  HN      0.06 1   0.15  0.50  2
  5 GLU  N       0.02 1   0.15  0.50  2
  5 GLU  HN      0.00 1   0.15  0.50  2
  6 LEU  N      -0.02 1   0.15  0.50  2
  6 LEU  HN      0.00 1   0.15  0.50  2
  7 LYS  N       0.00 1   0.15  0.50  2
  7 LYS  HN      0.00 1   0.15  0.50  2
  8 GLY  N      -0.07 1   0.15  0.50  2
  8 GLY  HN     -0.05 1   0.15  0.50  2
  9 ILE  N      -0.16 1   0.15  0.50  2
  9 ILE  HN     -0.14 1   0.15  0.50  2
 10 PHE  N      -0.16 1   0.15  0.50  2
 10 PHE  HN     -0.13 1   0.15  0.50  2
 11 GLU  N      -0.31 1   0.26  0.50  2
 11 GLU  HN     -0.25 1   0.15  0.50  2
 12 LYS  N      -0.34 1   0.15  0.50  2
 12 LYS  HN     -0.29 1   0.15  0.50  2
 13 TYR  N      -0.43 1   0.15  0.50  2
 13 TYR  HN     -0.41 1   0.15  0.50  2
 14 ALA  N      -0.76 1   0.15  0.50  2
 14 ALA  HN     -0.63 1   0.15  0.50  2
 15 ALA  N      -0.55 1   0.15  0.50  2
 15 ALA  HN     -0.48 1   0.15  0.50  2
 16 LYS  N      -0.43 1   0.45  0.50  2
 16 LYS  HN     -0.45 1   0.15  0.50  2
 17 GLU  N      -0.33 1   0.15  0.50  2
 17 GLU  HN     -0.44 1   0.15  0.50  2
 18 GLY  N      -0.29 1   0.56  0.50  2
 18 GLY  HN     -0.22 1   0.15  0.50  2
 19 ASP  N      -0.50 1   0.41  0.50  2
 19 ASP  HN     -0.48 1   0.15  0.50  2
 21 ASN  N      -0.60 1   0.81  0.50  2
 21 ASN  HN     -0.63 1   0.19  0.50  2
 21 ASN  ND2    -0.24 1   0.34  0.50  2
 22 GLN  N      -1.53 1   0.15  0.50  2
 22 GLN  HN     -1.32 1   0.15  0.50  2
 24 SER  N      -1.83 1   0.18  0.50  2
 24 SER  HN     -1.46 1   0.15  0.50  2
 25 LYS  N      -0.56 1   0.15  0.50  2
 25 LYS  HN     -0.82 1   0.15  0.50  2
 26 GLU  N      -0.32 1   0.22  0.50  2
 26 GLU  HN     -0.35 1   0.15  0.50  2
 27 GLU  N      -0.54 1   0.15  0.50  2
 27 GLU  HN     -0.63 1   0.15  0.50  2
 28 LEU  N      -0.81 1   0.15  0.50  2
 28 LEU  HN     -0.93 1   0.15  0.50  2
 29 LYS  N      -0.66 1   0.24  0.50  2
 29 LYS  HN     -0.47 1   0.15  0.50  2
 30 LEU  N      -0.35 1   0.15  0.50  2
 30 LEU  HN     -0.37 1   0.15  0.50  2
 31 LEU  N      -0.34 1   0.15  0.50  2
 31 LEU  HN     -0.44 1   0.15  0.50  2
 32 LEU  N      -0.19 1   0.15  0.50  2
 32 LEU  HN     -0.35 1   0.15  0.50  2
 33 GLN  N      -0.19 1   0.15  0.50  2
 33 GLN  HN     -0.23 1   0.15  0.50  2
 33 GLN  NE2    -0.09 1   0.27  0.50  2
 34 THR  N      -0.16 1   0.15  0.50  2
 34 THR  HN     -0.20 1   0.15  0.50  2
 35 GLU  N      -0.17 1   0.15  0.50  2
 35 GLU  HN     -0.18 1   0.15  0.50  2
 36 PHE  N      -0.15 1   0.15  0.50  2
 36 PHE  HN     -0.16 1   0.15  0.50  2
 38 SER  N      -0.08 1   0.15  0.50  2
 38 SER  HN     -0.09 1   0.15  0.50  2
 39 LEU  N      -0.07 1   0.15  0.50  2
 39 LEU  HN     -0.10 1   0.15  0.50  2
 40 LEU  N      -0.14 1   0.15  0.50  2
 40 LEU  HN     -0.11 1   0.15  0.50  2
 41 LYS  N      -0.06 1   0.18  0.50  2
 41 LYS  HN     -0.08 1   0.15  0.50  2
 42 GLY  N      -0.04 1   0.22  0.50  2
 42 GLY  HN     -0.05 1   0.15  0.50  2
 43 MET  N       -.18 1    .29 -1.00  2
 43 MET  HN      -.11 1    .15 -1.00  2
 44 SER  N       -.01 1    .15 -1.00  2
 44 SER  HN      -.05 1    .15 -1.00  2
 45 THR  N      -0.14 1   0.89  0.50  2
 45 THR  HN      0.00 1   0.18  0.50  2
 46 LEU  N      -0.02 1   0.74  0.50  2
 46 LEU  HN     -0.06 1   0.15  0.50  2
 47 ASP  N      -0.07 1   0.56  0.50  2
 47 ASP  HN      0.03 1   0.15  0.50  2
 48 GLU  N       0.20 1   0.64  0.50  2
 48 GLU  HN      0.15 1   0.15  0.50  2
 49 LEU  N       0.00 1   1.08  0.50  2
 49 LEU  HN      0.00 1   0.15  0.50  2
 50 PHE  N      -0.16 1   0.15  0.50  2
 50 PHE  HN     -0.14 1   0.15  0.50  2
 51 GLU  N       0.38 1   0.15  0.50  2
 51 GLU  HN      0.12 1   0.15  0.50  2
 52 GLU  N       0.00 1   0.15  0.50  2
 52 GLU  HN      0.03 1   0.15  0.50  2
 53 LEU  N      -0.16 1   0.93  0.50  2
 53 LEU  HN     -0.23 1   0.15  0.50  2
 61 VAL  N     -21.93 1   2.18 -1.00  2
 61 VAL  HN     -9.66 1    .24 -1.00  2
 63 PHE  N       0.50 1   0.22  0.50  2
 63 PHE  HN      0.38 1   0.15  0.50  2
 64 GLU  N       2.02 1   0.15  0.50  2
 64 GLU  HN      2.29 1   0.15  0.50  2
 65 GLU  N       4.06 1   0.24  0.50  2
 65 GLU  HN      5.07 1   0.15  0.50  2
 66 PHE  N       1.19 1   0.27  0.50  2
 66 PHE  HN      0.89 1   0.15  0.50  2
 67 GLN  N       0.49 1   0.15  0.50  2
 67 GLN  HN      0.89 1   0.15  0.50  2
 67 GLN  NE2     0.50 1   0.15  0.50  2
 68 VAL  N       0.42 1   0.23  0.50  2
 68 VAL  HN      0.71 1   0.15  0.50  2
 69 LEU  N       0.17 1   0.17  0.50  2
 69 LEU  HN      0.21 1   0.15  0.50  2
 70 VAL  N      -0.04 1   0.15  0.50  2
 70 VAL  HN      0.11 1   0.15  0.50  2
 71 LYS  N       0.11 1   0.15  0.50  2
 71 LYS  HN      0.15 1   0.15  0.50  2
 72 LYS  N       0.08 1   0.15  0.50  2
 72 LYS  HN      0.07 1   0.15  0.50  2
 73 ILE  N       0.00 1   0.23  0.50  2
 73 ILE  HN      0.00 1   0.15  0.50  2
 74 SER  N       0.00 1   0.18  0.50  2
 74 SER  HN      0.00 1   0.15  0.50  2
 75 GLN  N       0.00 1   0.15  0.50  2
 75 GLN  HN      0.02 1   0.15  0.50  2
 75 GLN  NE2     0.00 1   0.15  0.50  2
  1 LYS  HN      0.00 1   0.15  1.00  3
  1 LYS  N       0.00 1   0.15  1.00  3
  2 SER  HN      0.00 1   0.15  1.00  3
  2 SER  N       0.00 1   0.15  1.00  3
  4 GLU  HN      0.03 1   0.15  1.00  3
  4 GLU  N       0.15 1   0.15  1.00  3
  5 GLU  HN      0.01 1   0.15  1.00  3
  5 GLU  N       0.10 1   0.15  1.00  3
  6 LEU  HN      0.00 1   0.15  1.00  3
  6 LEU  N       0.00 1   0.15  1.00  3
  7 LYS  HN      0.01 1   0.15  1.00  3
  7 LYS  N       0.02 1   0.15  1.00  3
  8 GLY  HN     -0.02 1   0.15  1.00  3
  8 GLY  N      -0.05 1   0.15  1.00  3
  9 ILE  HN     -0.06 1   0.15  1.00  3
  9 ILE  N      -0.09 1   0.15  1.00  3
 10 PHE  HN     -0.10 1   0.15  1.00  3
 10 PHE  N      -0.13 1   0.15  1.00  3
 11 GLU  HN     -0.09 1   0.15  1.00  3
 11 GLU  N      -0.08 1   0.26  1.00  3
 12 LYS  HN     -0.11 1   0.15  1.00  3
 12 LYS  N      -0.18 1   0.15  1.00  3
 13 TYR  HN     -0.17 1   0.15  1.00  3
 13 TYR  N      -0.18 1   0.15  1.00  3
 14 ALA  HN     -0.22 1   0.15  1.00  3
 14 ALA  N      -0.26 1   0.15  1.00  3
 15 ALA  HN     -0.17 1   0.15  1.00  3
 15 ALA  N      -0.19 1   0.15  1.00  3
 16 LYS  HN     -0.16 1   0.15  1.00  3
 16 LYS  N      -0.13 1   0.45  1.00  3
 17 GLU  HN     -0.14 1   0.15  1.00  3
 17 GLU  N      -0.06 1   0.15  1.00  3
 18 GLY  HN     -0.06 1   0.15  1.00  3
 18 GLY  N      -0.13 1   0.56  1.00  3
 19 ASP  HN     -0.03 1   0.15  1.00  3
 19 ASP  N      -0.09 1   0.41  1.00  3
 21 ASN  HN     -0.22 1   0.19  1.00  3
 21 ASN  HN     -0.11 1   0.19  1.00  3
 21 ASN  ND2    -0.07 1   0.34  1.00  3
 22 GLN  HN     -0.47 1   0.15  1.00  3
 22 GLN  N      -0.52 1   0.15  1.00  3
 22 GLN  NE2    -1.31 1   1.16  1.00  3
 23 LEU  HN     -1.75 1   0.15  1.00  3
 23 LEU  N      -1.23 1   0.46  1.00  3
 24 SER  HN     -0.50 1   0.15  1.00  3
 24 SER  N      -0.65 1   0.18  1.00  3
 25 LYS  HN     -0.04 1   0.15  1.00  3
 25 LYS  N      -0.28 1   0.15  1.00  3
 26 GLU  HN     -0.08 1   0.15  1.00  3
 26 GLU  N       0.02 1   0.22  1.00  3
 27 GLU  HN     -0.20 1   0.15  1.00  3
 27 GLU  N      -0.13 1   0.15  1.00  3
 28 LEU  HN     -0.39 1   0.15  1.00  3
 28 LEU  N      -0.36 1   0.15  1.00  3
 29 LYS  HN     -0.18 1   0.15  1.00  3
 29 LYS  N      -0.30 1   0.24  1.00  3
 30 LEU  HN     -0.15 1   0.15  1.00  3
 30 LEU  N      -0.13 1   0.15  1.00  3
 31 LEU  HN     -0.21 1   0.15  1.00  3
 31 LEU  N      -0.18 1   0.15  1.00  3
 32 LEU  HN     -0.18 1   0.15  1.00  3
 32 LEU  N      -0.14 1   0.15  1.00  3
 33 GLN  HN     -0.12 1   0.15  1.00  3
 33 GLN  N      -0.08 1   0.15  1.00  3
 33 GLN  NE2     0.00 1   0.27  1.00  3
 34 THR  HN     -0.10 1   0.15  1.00  3
 34 THR  N      -0.05 1   0.15  1.00  3
 35 GLU  HN     -0.09 1   0.15  1.00  3
 35 GLU  N      -0.09 1   0.15  1.00  3
 36 PHE  HN     -0.08 1   0.15  1.00  3
 36 PHE  N      -0.09 1   0.15  1.00  3
 38 SER  HN     -0.05 1   0.15  1.00  3
 38 SER  N       0.00 1   0.15  1.00  3
 39 LEU  HN     -0.07 1   0.15  1.00  3
 39 LEU  N      -0.06 1   0.15  1.00  3
 40 LEU  HN     -0.06 1   0.15  1.00  3
 40 LEU  N      -0.03 1   0.15  1.00  3
 41 LYS  HN      0.04 1   0.15  1.00  3
 41 LYS  N       0.00 1   0.18  1.00  3
 42 GLY  HN     -0.04 1   0.15  1.00  3
 42 GLY  N       0.00 1   0.22  1.00  3
 44 SER  HN     -0.03 1   0.15  1.00  3
 44 SER  N       0.05 1   0.15  1.00  3
 45 THR  HN     -0.03 1   0.18  1.00  3
 45 THR  N      -0.38 1   0.89  1.00  3
 46 LEU  HN     -0.05 1   0.15  1.00  3
 46 LEU  N       0.15 1   0.74  1.00  3
 47 ASP  HN      0.05 1   0.15  1.00  3
 47 ASP  N      -0.14 1   0.56  1.00  3
 48 GLU  HN      0.11 1   0.15  1.00  3
 48 GLU  N      -0.15 1   0.64  1.00  3
 49 LEU  HN      0.05 1   0.15  1.00  3
 49 LEU  N       0.37 1   1.08  1.00  3
 50 PHE  HN     -0.17 1   0.15  1.00  3
 50 PHE  N      -0.08 1   0.15  1.00  3
 51 GLU  HN     -0.02 1   0.15  1.00  3
 51 GLU  N      -0.02 1   0.15  1.00  3
 52 GLU  HN     -0.14 1   0.15  1.00  3
 52 GLU  N      -0.06 1   0.15  1.00  3
 53 LEU  HN     -0.48 1   0.15  1.00  3
 53 LEU  N      -0.50 1   0.93  1.00  3
 54 ASP  HN     -1.52 1   0.50  1.00  3
 54 ASP  N      -2.02 1   1.96  1.00  3
 63 PHE  HN      0.31 1   0.15  1.00  3
 63 PHE  N       0.36 1   0.22  1.00  3
 64 GLU  HN      1.22 1   0.15  1.00  3
 64 GLU  N       1.11 1   0.15  1.00  3
 65 GLU  HN      2.59 1   0.15  1.00  3
 65 GLU  N       1.93 1   0.24  1.00  3
 66 PHE  HN      0.35 1   0.15  1.00  3
 66 PHE  N       0.60 1   0.27  1.00  3
 67 GLN  HN      0.41 1   0.15  1.00  3
 67 GLN  N       0.22 1   0.15  1.00  3
 67 GLN  NE2     0.22 1   0.15  1.00  3
 68 VAL  HN      0.24 1   0.15  1.00  3
 68 VAL  N       0.00 1   0.23  1.00  3
 69 LEU  HN      0.05 1   0.15  1.00  3
 69 LEU  N       0.10 1   0.17  1.00  3
 70 VAL  HN      0.00 1   0.15  1.00  3
 70 VAL  N      -0.19 1   0.15  1.00  3
 71 LYS  HN      0.04 1   0.15  1.00  3
 71 LYS  N       0.08 1   0.15  1.00  3
 72 LYS  HN      0.00 1   0.15  1.00  3
 72 LYS  N      -0.04 1   0.15  1.00  3
 73 ILE  HN     -0.03 1   0.15  1.00  3
 73 ILE  N       0.06 1   0.23  1.00  3
 74 SER  HN     -0.01 1   0.15  1.00  3
 74 SER  N      -0.02 1   0.18  1.00  3
 75 GLN  HN      0.00 1   0.15  1.00  3
 75 GLN  N       0.00 1   0.15  1.00  3
 75 GLN  NE2     0.00 1   0.15  1.00  3
  2 SER  N       0.17 1   0.15  0.50  4
  2 SER  HN      0.07 1   0.15  0.50  4
  4 GLU  N      -0.01 1   0.15  0.50  4
  4 GLU  HN     -0.02 1   0.15  0.50  4
  5 GLU  N      -0.03 1   0.15  0.50  4
  5 GLU  HN     -0.02 1   0.15  0.50  4
  6 LEU  N      -0.19 1   0.15  0.50  4
  6 LEU  HN     -0.16 1   0.15  0.50  4
  7 LYS  N       0.03 1   0.15  0.50  4
  7 LYS  HN     -0.03 1   0.15  0.50  4
  8 GLY  N      -0.11 1   0.15  0.50  4
  8 GLY  HN      0.00 1   0.15  0.50  4
  9 ILE  N      -0.02 1   0.15  0.50  4
  9 ILE  HN      0.03 1   0.15  0.50  4
 10 PHE  N       0.10 1   0.15  0.50  4
 10 PHE  HN      0.26 1   0.15  0.50  4
 11 GLU  N       0.13 1   0.26  0.50  4
 11 GLU  HN      0.09 1   0.15  0.50  4
 12 LYS  N      -0.01 1   0.15  0.50  4
 12 LYS  HN     -0.04 1   0.15  0.50  4
 13 TYR  N       0.12 1   0.15  0.50  4
 13 TYR  HN      0.17 1   0.15  0.50  4
 14 ALA  N       0.27 1   0.15  0.50  4
 14 ALA  HN      0.27 1   0.15  0.50  4
 15 ALA  N       0.16 1   0.15  0.50  4
 15 ALA  HN      0.17 1   0.15  0.50  4
 16 LYS  N       0.51 1   0.45  0.50  4
 16 LYS  HN      0.10 1   0.15  0.50  4
 17 GLU  N       0.16 1   0.15  0.50  4
 17 GLU  HN      0.19 1   0.15  0.50  4
 18 GLY  N       0.02 1   0.56  0.50  4
 18 GLY  HN      0.07 1   0.15  0.50  4
 19 ASP  N       0.28 1   0.41  0.50  4
 19 ASP  HN      0.24 1   0.15  0.50  4
 21 ASN  N       0.31 1   0.81  0.50  4
 21 ASN  HN      0.23 1   0.19  0.50  4
 21 ASN  ND2     0.04 1   0.34  0.50  4
 22 GLN  N       0.63 1   0.15  0.50  4
 22 GLN  HN      0.43 1   0.15  0.50  4
 24 SER  N       0.87 1   0.18  0.50  4
 24 SER  HN      0.71 1   0.15  0.50  4
 25 LYS  N       0.27 1   0.15  0.50  4
 25 LYS  HN      0.29 1   0.15  0.50  4
 26 GLU  N       0.35 1   0.22  0.50  4
 26 GLU  HN      0.20 1   0.15  0.50  4
 27 GLU  N       0.37 1   0.15  0.50  4
 27 GLU  HN      0.38 1   0.15  0.50  4
 28 LEU  N       0.43 1   0.15  0.50  4
 28 LEU  HN      0.52 1   0.15  0.50  4
 29 LYS  N       0.29 1   0.24  0.50  4
 30 LEU  N       0.23 1   0.15  0.50  4
 30 LEU  HN      0.22 1   0.15  0.50  4
 31 LEU  N       0.25 1   0.15  0.50  4
 31 LEU  HN      0.24 1   0.15  0.50  4
 32 LEU  N       0.17 1   0.15  0.50  4
 32 LEU  HN      0.21 1   0.15  0.50  4
 33 GLN  N       0.16 1   0.15  0.50  4
 33 GLN  HN      0.13 1   0.15  0.50  4
 33 GLN  NE2     0.08 1   0.27  0.50  4
 34 THR  N       0.13 1   0.15  0.50  4
 34 THR  HN      0.11 1   0.15  0.50  4
 35 GLU  N       0.05 1   0.15  0.50  4
 35 GLU  HN      0.11 1   0.15  0.50  4
 36 PHE  N       0.07 1   0.15  0.50  4
 36 PHE  HN      0.10 1   0.15  0.50  4
 38 SER  N       0.11 1   0.15  0.50  4
 38 SER  HN      0.05 1   0.15  0.50  4
 39 LEU  N       0.09 1   0.15  0.50  4
 39 LEU  HN      0.06 1   0.15  0.50  4
 40 LEU  N       0.09 1   0.15  0.50  4
 40 LEU  HN      0.07 1   0.15  0.50  4
 41 LYS  N       0.08 1   0.18  0.50  4
 41 LYS  HN      0.05 1   0.15  0.50  4
 42 GLY  N      -0.02 1   0.22  0.50  4
 42 GLY  HN      0.05 1   0.15  0.50  4
 43 MET  N        .28 1    .29 -0.50  4
 43 MET  HN       .11 1    .15 -0.50  4
 44 SER  N        .38 1    .15 -0.50  4
 44 SER  HN       .05 1    .15 -0.50  4
 45 THR  N       0.07 1   0.89  0.50  4
 45 THR  HN      0.02 1   0.18  0.50  4
 46 LEU  N       0.12 1   0.74  0.50  4
 46 LEU  HN      0.06 1   0.15  0.50  4
 47 ASP  N      -0.04 1   0.56  0.50  4
 47 ASP  HN      0.06 1   0.15  0.50  4
 48 GLU  N      -0.12 1   0.64  0.50  4
 48 GLU  HN      0.08 1   0.15  0.50  4
 49 LEU  N       0.42 1   1.08  0.50  4
 49 LEU  HN      0.06 1   0.15  0.50  4
 50 PHE  N       0.23 1   0.15  0.50  4
 50 PHE  HN      0.12 1   0.15  0.50  4
 51 GLU  N       0.29 1   0.15  0.50  4
 51 GLU  HN     -0.12 1   0.15  0.50  4
 67 GLN  N      -0.39 1   0.15  0.50  4
 67 GLN  HN     -0.47 1   0.15  0.50  4
 67 GLN  NE2    -0.29 1   0.15  0.50  4
 68 VAL  N      -0.36 1   0.23  0.50  4
 68 VAL  HN     -0.36 1   0.15  0.50  4
 69 LEU  N      -0.11 1   0.17  0.50  4
 69 LEU  HN     -0.07 1   0.15  0.50  4
 70 VAL  N      -0.22 1   0.15  0.50  4
 70 VAL  HN     -0.05 1   0.15  0.50  4
 71 LYS  N      -0.07 1   0.15  0.50  4
 71 LYS  HN     -0.07 1   0.15  0.50  4
 72 LYS  N      -0.05 1   0.15  0.50  4
 72 LYS  HN      0.00 1   0.15  0.50  4
 73 ILE  N      -0.03 1   0.23  0.50  4
 73 ILE  HN      0.00 1   0.15  0.50  4
 74 SER  N      -0.01 1   0.18  0.50  4
 74 SER  HN      0.00 1   0.15  0.50  4
 75 GLN  N      -0.03 1   0.15  0.50  4
 75 GLN  HN      0.00 1   0.15  0.50  4
 75 GLN  NE2     0.00 1   0.15  0.50  4
  2 SER  N       0.23 1   0.15  0.25  5
  2 SER  HN      0.14 1   0.15  0.25  5
  4 GLU  N       1.05 1   0.15  0.25  5
  4 GLU  HN      0.96 1   0.15  0.25  5
  5 GLU  N       0.59 1   0.15  0.25  5
  5 GLU  HN      0.49 1   0.15  0.25  5
  6 LEU  N       0.36 1   0.15  0.25  5
  6 LEU  HN      0.44 1   0.15  0.25  5
  7 LYS  N       1.08 1   0.15  0.25  5
  7 LYS  HN      1.01 1   0.15  0.25  5
  8 GLY  N       0.39 1   0.15  0.25  5
  8 GLY  HN      0.46 1   0.15  0.25  5
  9 ILE  N      -0.45 1   0.15  0.25  5
  9 ILE  HN     -0.33 1   0.15  0.25  5
 18 GLY  N      -1.24 1   0.56  0.25  5
 18 GLY  HN     -1.28 1   0.15  0.25  5
 32 LEU  N      -3.16 1   0.15  0.25  5
 32 LEU  HN     -3.76 1   0.15  0.25  5
 33 GLN  N      -2.28 1   0.15  0.25  5
 33 GLN  HN     -2.46 1   0.15  0.25  5
 33 GLN  NE2    -1.51 1   0.27  0.25  5
 34 THR  N      -1.56 1   0.15  0.25  5
 34 THR  HN     -1.95 1   0.15  0.25  5
 35 GLU  N      -1.53 1   0.15  0.25  5
 35 GLU  HN     -1.89 1   0.15  0.25  5
 36 PHE  N      -1.90 1   0.15  0.25  5
 36 PHE  HN     -2.06 1   0.15  0.25  5
 38 SER  N      -1.43 1   0.15  0.25  5
 38 SER  HN     -1.41 1   0.15  0.25  5
 39 LEU  N      -1.63 1   0.15  0.25  5
 39 LEU  HN     -1.81 1   0.15  0.25  5
 40 LEU  N      -1.66 1   0.15  0.25  5
 40 LEU  HN     -1.99 1   0.15  0.25  5
 41 LYS  N      -1.28 1   0.18  0.25  5
 41 LYS  HN     -1.60 1   0.15  0.25  5
 42 GLY  N      -1.45 1   0.22  0.25  5
 42 GLY  HN     -1.40 1   0.15  0.25  5
 70 VAL  N      -0.79 1   0.15  0.25  5
 70 VAL  HN     -1.22 1   0.15  0.25  5
 71 LYS  N      -0.77 1   0.15  0.25  5
 71 LYS  HN     -0.88 1   0.15  0.25  5
 73 ILE  N      -1.61 1   0.23  0.25  5
 73 ILE  HN     -1.57 1   0.15  0.25  5
 74 SER  N      -0.70 1   0.18  0.25  5
 74 SER  HN     -0.99 1   0.15  0.25  5
 75 GLN  N      -0.46 1   0.15  0.25  5
 75 GLN  HN     -0.64 1   0.15  0.25  5
 75 GLN  NE2    -0.53 1   0.15  0.25  5
  2 SER  N       0.08 1   0.15  0.05  6
  2 SER  HN      0.11 1   0.15  0.05  6
  4 GLU  N       0.74 1   0.15  0.05  6
  4 GLU  HN      0.81 1   0.15  0.05  6
  5 GLU  N       0.14 1   0.15  0.05  6
  5 GLU  HN      0.31 1   0.15  0.05  6
  6 LEU  N       0.01 1   0.15  0.05  6
  6 LEU  HN      0.24 1   0.15  0.05  6
  7 LYS  N       0.46 1   0.15  0.05  6
  7 LYS  HN      0.59 1   0.15  0.05  6
  8 GLY  N      -0.17 1   0.15  0.05  6
  8 GLY  HN     -0.04 1   0.15  0.05  6
  9 ILE  N      -1.14 1   0.15  0.05  6
  9 ILE  HN     -0.83 1   0.15  0.05  6
 10 PHE  N      -1.84 1   0.15  0.05  6
 10 PHE  HN     -1.44 1   0.15  0.05  6
 12 LYS  N      -2.29 1   0.15  0.05  6
 12 LYS  HN     -1.98 1   0.15  0.05  6
 13 TYR  N      -3.23 1   0.15  0.05  6
 13 TYR  HN     -3.32 1   0.15  0.05  6
 15 ALA  N      -3.87 1   0.15  0.05  6
 15 ALA  HN     -3.79 1   0.15  0.05  6
 16 LYS  N      -2.84 1   0.45  0.05  6
 16 LYS  HN     -3.99 1   0.15  0.05  6
 18 GLY  N      -2.50 1   0.56  0.05  6
 18 GLY  HN     -2.34 1   0.15  0.05  6
 27 GLU  N      -6.24 1   0.15  0.05  6
 27 GLU  HN     -7.10 1   0.15  0.05  6
 30 LEU  N      -3.27 1   0.15  0.05  6
 30 LEU  HN     -3.86 1   0.15  0.05  6
 31 LEU  N      -3.59 1   0.15  0.05  6
 31 LEU  HN     -4.38 1   0.15  0.05  6
 33 GLN  N      -2.16 1   0.15  0.05  6
 33 GLN  HN     -2.43 1   0.15  0.05  6
 33 GLN  NE2    -1.79 1   0.27  0.05  6
 34 THR  N      -1.64 1   0.15  0.05  6
 34 THR  HN     -2.01 1   0.15  0.05  6
 35 GLU  N      -1.43 1   0.15  0.05  6
 35 GLU  HN     -1.88 1   0.15  0.05  6
 36 PHE  N      -1.55 1   0.15  0.05  6
 36 PHE  HN     -1.75 1   0.15  0.05  6
 38 SER  N      -1.02 1   0.15  0.05  6
 38 SER  HN     -0.96 1   0.15  0.05  6
 39 LEU  N      -1.04 1   0.15  0.05  6
 39 LEU  HN     -1.12 1   0.15  0.05  6
 40 LEU  N      -1.13 1   0.15  0.05  6
 40 LEU  HN     -1.25 1   0.15  0.05  6
 41 LYS  N      -0.61 1   0.18  0.05  6
 41 LYS  HN     -0.88 1   0.15  0.05  6
 42 GLY  N      -1.00 1   0.22  0.05  6
 42 GLY  HN     -0.76 1   0.15  0.05  6
 71 LYS  N       0.57 1   0.15  0.05  6
 71 LYS  HN      0.68 1   0.15  0.05  6
 72 LYS  N      -0.17 1   0.15  0.05  6
 72 LYS  HN     -0.09 1   0.15  0.05  6
 73 ILE  N      -0.70 1   0.23  0.05  6
 73 ILE  HN     -0.42 1   0.15  0.05  6
 74 SER  N      -0.08 1   0.18  0.05  6
 74 SER  HN     -0.20 1   0.15  0.05  6
 75 GLN  N       0.14 1   0.15  0.05  6
 75 GLN  HN     -0.09 1   0.15  0.05  6
 75 GLN  NE2    -0.19 1   0.15  0.05  6
  2 SER  N       0.34 1   0.15  0.50  7
  2 SER  HN      0.28 1   0.15  0.50  7
  4 GLU  N       0.66 1   0.15  0.50  7
  4 GLU  HN      0.63 1   0.15  0.50  7
  5 GLU  N       0.42 1   0.15  0.50  7
  5 GLU  HN      0.42 1   0.15  0.50  7
  6 LEU  N       0.36 1   0.15  0.50  7
  6 LEU  HN      0.43 1   0.15  0.50  7
  7 LYS  N       0.65 1   0.15  0.50  7
  7 LYS  HN      0.63 1   0.15  0.50  7
  8 GLY  N       0.23 1   0.15  0.50  7
  8 GLY  HN      0.24 1   0.15  0.50  7
  9 ILE  N      -0.14 1   0.15  0.50  7
  9 ILE  HN     -0.07 1   0.15  0.50  7
 10 PHE  N      -0.38 1   0.15  0.50  7
 10 PHE  HN     -0.18 1   0.15  0.50  7
 11 GLU  N      -0.61 1   0.26  0.50  7
 11 GLU  HN     -0.17 1   0.15  0.50  7
 12 LYS  N      -0.69 1   0.15  0.50  7
 12 LYS  HN     -0.75 1   0.15  0.50  7
 13 TYR  N      -1.15 1   0.15  0.50  7
 13 TYR  HN     -1.17 1   0.15  0.50  7
 14 ALA  N      -2.06 1   0.15  0.50  7
 14 ALA  HN     -1.76 1   0.15  0.50  7
 15 ALA  N      -1.39 1   0.15  0.50  7
 15 ALA  HN     -1.35 1   0.15  0.50  7
 16 LYS  N      -0.85 1   0.45  0.50  7
 16 LYS  HN     -1.40 1   0.15  0.50  7
 17 GLU  N      -1.03 1   0.15  0.50  7
 17 GLU  HN     -1.81 1   0.15  0.50  7
 21 ASN  N      -1.72 1   0.81  0.50  7
 21 ASN  HN     -2.83 1   0.19  0.50  7
 28 LEU  N      -3.82 1   0.15  0.50  7
 28 LEU  HN     -4.45 1   0.15  0.50  7
 29 LYS  N      -2.39 1   0.24  0.50  7
 29 LYS  HN     -2.62 1   0.15  0.50  7
 30 LEU  N      -1.50 1   0.15  0.50  7
 30 LEU  HN     -1.71 1   0.15  0.50  7
 31 LEU  N      -1.55 1   0.15  0.50  7
 31 LEU  HN     -1.92 1   0.15  0.50  7
 32 LEU  N      -1.38 1   0.15  0.50  7
 32 LEU  HN     -1.58 1   0.15  0.50  7
 33 GLN  N      -1.06 1   0.15  0.50  7
 33 GLN  HN     -1.19 1   0.15  0.50  7
 33 GLN  NE2    -0.76 1   0.27  0.50  7
 34 THR  N      -0.72 1   0.15  0.50  7
 34 THR  HN     -0.87 1   0.15  0.50  7
 35 GLU  N      -0.59 1   0.15  0.50  7
 35 GLU  HN     -0.80 1   0.15  0.50  7
 36 PHE  N      -0.68 1   0.15  0.50  7
 36 PHE  HN     -0.79 1   0.15  0.50  7
 38 SER  N      -0.49 1   0.15  0.50  7
 38 SER  HN     -0.50 1   0.15  0.50  7
 39 LEU  N      -0.52 1   0.15  0.50  7
 39 LEU  HN     -0.63 1   0.15  0.50  7
 40 LEU  N      -0.74 1   0.15  0.50  7
 40 LEU  HN     -0.73 1   0.15  0.50  7
 41 LYS  N      -0.47 1   0.18  0.50  7
 41 LYS  HN     -0.62 1   0.15  0.50  7
 42 GLY  N      -0.60 1   0.22  0.50  7
 42 GLY  HN     -0.58 1   0.15  0.50  7
 46 LEU  N      -1.33 1   0.74  0.50  7
 46 LEU  HN     -0.74 1   0.15  0.50  7
 67 GLN  NE2     3.55 1   0.15  0.50  7
 68 VAL  N       2.86 1   0.23  0.50  7
 68 VAL  HN      3.86 1   0.15  0.50  7
 69 LEU  N       0.66 1   0.17  0.50  7
 69 LEU  HN      0.80 1   0.15  0.50  7
 70 VAL  N       0.21 1   0.15  0.50  7
 70 VAL  HN      0.76 1   0.15  0.50  7
 71 LYS  N       0.67 1   0.15  0.50  7
 71 LYS  HN      0.77 1   0.15  0.50  7
 72 LYS  N       0.15 1   0.15  0.50  7
 72 LYS  HN      0.16 1   0.15  0.50  7
 73 ILE  N      -0.17 1   0.23  0.50  7
 73 ILE  HN     -0.04 1   0.15  0.50  7
 74 SER  N       0.16 1   0.18  0.50  7
 74 SER  HN      0.06 1   0.15  0.50  7
 75 GLN  N       0.30 1   0.15  0.50  7
 75 GLN  HN      0.15 1   0.15  0.50  7
 75 GLN  NE2     0.14 1   0.15  0.50  7
  2 SER  N       0.11 1   0.15  1.00  8
  2 SER  HN      0.06 1   0.15  1.00  8
  4 GLU  N      -0.19 1   0.15  1.00  8
  4 GLU  HN     -0.17 1   0.15  1.00  8
  5 GLU  N      -0.02 1   0.15  1.00  8
  5 GLU  HN     -0.07 1   0.15  1.00  8
  6 LEU  N       0.01 1   0.15  1.00  8
  6 LEU  HN      0.01 1   0.15  1.00  8
  7 LYS  N       0.01 1   0.15  1.00  8
  7 LYS  HN     -0.18 1   0.15  1.00  8
  8 GLY  N      -0.05 1   0.15  1.00  8
  8 GLY  HN     -0.06 1   0.15  1.00  8
  9 ILE  N       0.19 1   0.15  1.00  8
  9 ILE  HN      0.18 1   0.15  1.00  8
 10 PHE  N       0.46 1   0.15  1.00  8
 10 PHE  HN      0.29 1   0.15  1.00  8
 11 GLU  N      -0.14 1   0.26  1.00  8
 11 GLU  HN     -0.03 1   0.15  1.00  8
 12 LYS  N       0.15 1   0.15  1.00  8
 12 LYS  HN      0.19 1   0.15  1.00  8
 13 TYR  N       0.53 1   0.15  1.00  8
 13 TYR  HN      0.53 1   0.15  1.00  8
 14 ALA  N       0.60 1   0.15  1.00  8
 14 ALA  HN      0.63 1   0.15  1.00  8
 15 ALA  N       0.38 1   0.15  1.00  8
 15 ALA  HN      0.26 1   0.15  1.00  8
 16 LYS  N       0.53 1   0.45  1.00  8
 16 LYS  HN      0.36 1   0.15  1.00  8
 17 GLU  N       0.16 1   0.15  1.00  8
 17 GLU  HN      0.26 1   0.15  1.00  8
 28 LEU  N       2.13 1   0.15  1.00  8
 28 LEU  HN      2.22 1   0.15  1.00  8
 29 LYS  N       1.64 1   0.24  1.00  8
 29 LYS  HN      1.51 1   0.15  1.00  8
 30 LEU  N       1.01 1   0.15  1.00  8
 30 LEU  HN      0.97 1   0.15  1.00  8
 31 LEU  N       1.11 1   0.15  1.00  8
 31 LEU  HN      1.21 1   0.15  1.00  8
 32 LEU  N       1.27 1   0.15  1.00  8
 32 LEU  HN      1.42 1   0.15  1.00  8
 33 GLN  N       0.86 1   0.15  1.00  8
 33 GLN  HN      0.91 1   0.15  1.00  8
 33 GLN  NE2     0.31 1   0.27  1.00  8
 34 THR  N       0.62 1   0.15  1.00  8
 34 THR  HN      0.69 1   0.15  1.00  8
 35 GLU  N       0.61 1   0.15  1.00  8
 35 GLU  HN      0.70 1   0.15  1.00  8
 36 PHE  N       0.66 1   0.15  1.00  8
 36 PHE  HN      0.75 1   0.15  1.00  8
 38 SER  N       0.46 1   0.15  1.00  8
 38 SER  HN      0.56 1   0.15  1.00  8
 39 LEU  N       0.74 1   0.15  1.00  8
 39 LEU  HN      0.76 1   0.15  1.00  8
 40 LEU  N       0.85 1   0.15  1.00  8
 40 LEU  HN      0.80 1   0.15  1.00  8
 41 LYS  N       0.73 1   0.18  1.00  8
 41 LYS  HN      0.66 1   0.15  1.00  8
 42 GLY  N       0.55 1   0.22  1.00  8
 42 GLY  HN      0.54 1   0.15  1.00  8
 43 MET  N        .59 1    .29 -1.00  8
 43 MET  HN       .61 1    .15 -1.00  8
 70 VAL  N       0.87 1   0.15  1.00  8
 70 VAL  HN      1.06 1   0.15  1.00  8
 71 LYS  N       0.57 1   0.15  1.00  8
 71 LYS  HN      0.62 1   0.15  1.00  8
 72 LYS  N       0.75 1   0.15  1.00  8
 72 LYS  HN      0.85 1   0.15  1.00  8
 73 ILE  N       0.60 1   0.23  1.00  8
 73 ILE  HN      0.71 1   0.15  1.00  8
 74 SER  N       0.52 1   0.18  1.00  8
 74 SER  HN      0.47 1   0.15  1.00  8
 75 GLN  N       0.30 1   0.15  1.00  8
 75 GLN  HN      0.28 1   0.15  1.00  8
 75 GLN  NE2     0.23 1   0.15  1.00  8
  2 SER  N      -0.01 1   0.15  0.25  9
  2 SER  HN     -0.14 1   0.15  0.25  9
  4 GLU  N      -0.56 1   0.15  0.25  9
  4 GLU  HN     -0.42 1   0.15  0.25  9
  5 GLU  N      -0.33 1   0.15  0.25  9
  5 GLU  HN     -0.43 1   0.15  0.25  9
  6 LEU  N      -0.27 1   0.15  0.25  9
  6 LEU  HN     -0.38 1   0.15  0.25  9
  7 LYS  N      -0.62 1   0.15  0.25  9
  7 LYS  HN     -0.81 1   0.15  0.25  9
  8 GLY  N      -0.53 1   0.15  0.25  9
  8 GLY  HN     -0.52 1   0.15  0.25  9
  9 ILE  N      -0.05 1   0.15  0.25  9
  9 ILE  HN     -0.15 1   0.15  0.25  9
 10 PHE  N       0.17 1   0.15  0.25  9
 10 PHE  HN     -0.17 1   0.15  0.25  9
 11 GLU  N      -0.73 1   0.26  0.25  9
 11 GLU  HN     -0.76 1   0.15  0.25  9
 12 LYS  N      -0.19 1   0.15  0.25  9
 12 LYS  HN     -0.21 1   0.15  0.25  9
 13 TYR  N       0.41 1   0.15  0.25  9
 13 TYR  HN      0.32 1   0.15  0.25  9
 14 ALA  N       0.17 1   0.15  0.25  9
 14 ALA  HN      0.12 1   0.15  0.25  9
 15 ALA  N      -0.09 1   0.15  0.25  9
 15 ALA  HN     -0.28 1   0.15  0.25  9
 16 LYS  N       0.33 1   0.45  0.25  9
 16 LYS  HN     -0.04 1   0.15  0.25  9
 28 LEU  N       3.95 1   0.15  0.25  9
 28 LEU  HN      4.09 1   0.15  0.25  9
 29 LYS  N       3.50 1   0.24  0.25  9
 29 LYS  HN      3.27 1   0.15  0.25  9
 30 LEU  N       2.00 1   0.15  0.25  9
 30 LEU  HN      1.86 1   0.15  0.25  9
 31 LEU  N       2.03 1   0.15  0.25  9
 31 LEU  HN      2.10 1   0.15  0.25  9
 32 LEU  N       2.48 1   0.15  0.25  9
 32 LEU  HN      2.69 1   0.15  0.25  9
 33 GLN  N       1.80 1   0.15  0.25  9
 33 GLN  HN      1.78 1   0.15  0.25  9
 33 GLN  NE2     0.81 1   0.27  0.25  9
 34 THR  N       1.16 1   0.15  0.25  9
 34 THR  HN      1.21 1   0.15  0.25  9
 35 GLU  N       1.10 1   0.15  0.25  9
 35 GLU  HN      1.18 1   0.15  0.25  9
 36 PHE  N       1.29 1   0.15  0.25  9
 36 PHE  HN      1.36 1   0.15  0.25  9
 38 SER  N       1.08 1   0.15  0.25  9
 38 SER  HN      1.03 1   0.15  0.25  9
 39 LEU  N       1.58 1   0.15  0.25  9
 39 LEU  HN      1.49 1   0.15  0.25  9
 40 LEU  N       1.88 1   0.15  0.25  9
 40 LEU  HN      1.68 1   0.15  0.25  9
 41 LYS  N       1.52 1   0.18  0.25  9
 41 LYS  HN      1.42 1   0.15  0.25  9
 42 GLY  N       1.21 1   0.22  0.25  9
 42 GLY  HN      1.19 1   0.15  0.25  9
 43 MET  N       1.43 1    .29 -1.00  9
 43 MET  HN      1.23 1    .15 -1.00  9
 44 SER  N       2.30 1    .15 -1.00  9
 44 SER  HN      1.72 1    .15 -1.00  9
 67 GLN  NE2    -3.37 1   0.15  0.25  9
 69 LEU  N       3.34 1   0.17  0.25  9
 69 LEU  HN      3.30 1   0.15  0.25  9
 70 VAL  N       1.44 1   0.15  0.25  9
 70 VAL  HN      1.16 1   0.15  0.25  9
 71 LYS  N       0.78 1   0.15  0.25  9
 71 LYS  HN      0.73 1   0.15  0.25  9
 72 LYS  N       1.29 1   0.15  0.25  9
 72 LYS  HN      1.38 1   0.15  0.25  9
 73 ILE  N       1.14 1   0.23  0.25  9
 73 ILE  HN      1.18 1   0.15  0.25  9
 74 SER  N       0.80 1   0.18  0.25  9
 74 SER  HN      0.68 1   0.15  0.25  9
 75 GLN  N       0.46 1   0.15  0.25  9
 75 GLN  HN      0.41 1   0.15  0.25  9
 75 GLN  NE2     0.39 1   0.15  0.25  9
  2 SER  N      -0.05 1   0.15  0.10 10
  2 SER  HN     -0.02 1   0.15  0.10 10
  4 GLU  N      -0.23 1   0.15  0.10 10
  4 GLU  HN     -0.13 1   0.15  0.10 10
  5 GLU  N      -0.10 1   0.15  0.10 10
  5 GLU  HN     -0.11 1   0.15  0.10 10
  6 LEU  N      -0.11 1   0.15  0.10 10
  6 LEU  HN     -0.08 1   0.15  0.10 10
  7 LYS  N      -0.14 1   0.15  0.10 10
  7 LYS  HN     -0.16 1   0.15  0.10 10
  8 GLY  N      -0.07 1   0.15  0.10 10
  8 GLY  HN     -0.02 1   0.15  0.10 10
  9 ILE  N       0.07 1   0.15  0.10 10
  9 ILE  HN      0.08 1   0.15  0.10 10
 10 PHE  N       0.38 1   0.15  0.10 10
 10 PHE  HN      0.08 1   0.15  0.10 10
 11 GLU  N      -0.02 1   0.26  0.10 10
 11 GLU  HN      0.06 1   0.15  0.10 10
 12 LYS  N       0.17 1   0.15  0.10 10
 12 LYS  HN      0.21 1   0.15  0.10 10
 13 TYR  N       0.51 1   0.15  0.10 10
 13 TYR  HN      0.49 1   0.15  0.10 10
 14 ALA  N       0.62 1   0.15  0.10 10
 14 ALA  HN      0.64 1   0.15  0.10 10
 15 ALA  N       0.51 1   0.15  0.10 10
 15 ALA  HN      0.43 1   0.15  0.10 10
 16 LYS  N       0.69 1   0.45  0.10 10
 16 LYS  HN      0.53 1   0.15  0.10 10
 17 GLU  N       0.40 1   0.15  0.10 10
 17 GLU  HN      0.50 1   0.15  0.10 10
 18 GLY  N       0.53 1   0.56  0.10 10
 18 GLY  HN      0.26 1   0.15  0.10 10
 19 ASP  N      -0.69 1   0.41  0.10 10
 19 ASP  HN     -0.78 1   0.15  0.10 10
 21 ASN  ND2    -0.14 1   0.34  0.10 10
 24 SER  N       3.09 1   0.18  0.10 10
 24 SER  HN      2.37 1   0.15  0.10 10
 25 LYS  N       1.98 1   0.15  0.10 10
 25 LYS  HN      1.61 1   0.15  0.10 10
 26 GLU  N       0.79 1   0.22  0.10 10
 26 GLU  HN      1.19 1   0.15  0.10 10
 28 LEU  N       1.77 1   0.15  0.10 10
 28 LEU  HN      2.05 1   0.15  0.10 10
 29 LYS  N       1.28 1   0.24  0.10 10
 29 LYS  HN      1.32 1   0.15  0.10 10
 30 LEU  N       0.83 1   0.15  0.10 10
 30 LEU  HN      0.88 1   0.15  0.10 10
 31 LEU  N       0.77 1   0.15  0.10 10
 31 LEU  HN      0.90 1   0.15  0.10 10
 32 LEU  N       0.76 1   0.15  0.10 10
 32 LEU  HN      0.88 1   0.15  0.10 10
 33 GLN  N       0.53 1   0.15  0.10 10
 33 GLN  HN      0.62 1   0.15  0.10 10
 33 GLN  NE2     0.16 1   0.27  0.10 10
 34 THR  N       0.36 1   0.15  0.10 10
 34 THR  HN      0.46 1   0.15  0.10 10
 35 GLU  N       0.33 1   0.15  0.10 10
 35 GLU  HN      0.41 1   0.15  0.10 10
 36 PHE  N       0.30 1   0.15  0.10 10
 36 PHE  HN      0.40 1   0.15  0.10 10
 38 SER  N       0.18 1   0.15  0.10 10
 38 SER  HN      0.24 1   0.15  0.10 10
 39 LEU  N       0.32 1   0.15  0.10 10
 39 LEU  HN      0.34 1   0.15  0.10 10
 40 LEU  N       0.39 1   0.15  0.10 10
 40 LEU  HN      0.40 1   0.15  0.10 10
 41 LYS  N       0.34 1   0.18  0.10 10
 41 LYS  HN      0.33 1   0.15  0.10 10
 42 GLY  N       0.20 1   0.22  0.10 10
 42 GLY  HN      0.25 1   0.15  0.10 10
 43 MET  N        .70 1    .29 -1.00 10
 43 MET  HN       .73 1    .15 -1.00 10
 44 SER  N        .95 1    .15 -1.00 10
 44 SER  HN       .47 1    .15 -1.00 10
 45 THR  N       0.73 1   0.89  0.10 10
 45 THR  HN      0.60 1   0.18  0.10 10
 46 LEU  N       0.68 1   0.74  0.10 10
 46 LEU  HN      0.74 1   0.15  0.10 10
 47 ASP  N       0.64 1   0.56  0.10 10
 47 ASP  HN      0.78 1   0.15  0.10 10
 48 GLU  N       1.86 1   0.64  0.10 10
 48 GLU  HN      0.82 1   0.15  0.10 10
 49 LEU  N       1.29 1   1.08  0.10 10
 49 LEU  HN      1.42 1   0.15  0.10 10
 50 PHE  N       2.05 1   0.15  0.10 10
 50 PHE  HN      1.83 1   0.15  0.10 10
 67 GLN  N      -1.29 1   0.15  0.10 10
 67 GLN  HN     -1.93 1   0.15  0.10 10
 68 VAL  N      -0.87 1   0.23  0.10 10
 68 VAL  HN     -1.22 1   0.15  0.10 10
 69 LEU  N      -0.05 1   0.17  0.10 10
 69 LEU  HN     -0.13 1   0.15  0.10 10
 70 VAL  N      -0.11 1   0.15  0.10 10
 70 VAL  HN     -0.15 1   0.15  0.10 10
 71 LYS  N      -0.23 1   0.15  0.10 10
 71 LYS  HN     -0.23 1   0.15  0.10 10
 72 LYS  N      -0.05 1   0.15  0.10 10
 72 LYS  HN     -0.04 1   0.15  0.10 10
 73 ILE  N      -0.06 1   0.23  0.10 10
 73 ILE  HN      0.04 1   0.15  0.10 10
 74 SER  N       0.00 1   0.18  0.10 10
 74 SER  HN      0.01 1   0.15  0.10 10
 75 GLN  N      -0.10 1   0.15  0.10 10
 75 GLN  HN     -0.04 1   0.15  0.10 10
 75 GLN  NE2    -0.03 1   0.15  0.10 10
  1 LYS  N       0.00 1   0.15  0.10 11
  1 LYS  HN     -0.02 1   0.15  0.10 11
  2 SER  N       0.00 1   0.15  0.10 11
  2 SER  HN      0.00 1   0.15  0.10 11
  4 GLU  N       0.00 1   0.15  0.10 11
  4 GLU  HN      0.00 1   0.15  0.10 11
  5 GLU  N       0.00 1   0.15  0.10 11
  5 GLU  HN     -0.01 1   0.15  0.10 11
  6 LEU  N       0.00 1   0.15  0.10 11
  6 LEU  HN      0.00 1   0.15  0.10 11
  7 LYS  N       0.00 1   0.15  0.10 11
  7 LYS  HN      0.00 1   0.15  0.10 11
  8 GLY  N       0.00 1   0.15  0.10 11
  8 GLY  HN      0.00 1   0.15  0.10 11
  9 ILE  N      -0.03 1   0.15  0.10 11
  9 ILE  HN     -0.02 1   0.15  0.10 11
 10 PHE  N      -0.02 1   0.15  0.10 11
 10 PHE  HN     -0.01 1   0.15  0.10 11
 11 GLU  N       0.00 1   0.26  0.10 11
 11 GLU  HN      0.00 1   0.15  0.10 11
 12 LYS  N       0.00 1   0.15  0.10 11
 12 LYS  HN      0.00 1   0.15  0.10 11
 13 TYR  N      -0.04 1   0.15  0.10 11
 13 TYR  HN     -0.02 1   0.15  0.10 11
 14 ALA  N       0.00 1   0.15  0.10 11
 14 ALA  HN      0.00 1   0.15  0.10 11
 15 ALA  N      -0.06 1   0.15  0.10 11
 15 ALA  HN     -0.01 1   0.15  0.10 11
 16 LYS  N      -0.04 1   0.45  0.10 11
 16 LYS  HN     -0.02 1   0.15  0.10 11
 17 GLU  N       0.05 1   0.15  0.10 11
 17 GLU  HN     -0.02 1   0.15  0.10 11
 18 GLY  N      -0.10 1   0.56  0.10 11
 18 GLY  HN     -0.02 1   0.15  0.10 11
 19 ASP  N      -0.01 1   0.41  0.10 11
 19 ASP  HN      0.07 1   0.15  0.10 11
 21 ASN  N       0.00 1   0.81  0.10 11
 21 ASN  HN      0.00 1   0.19  0.10 11
 21 ASN  ND2     0.00 1   0.34  0.10 11
 22 GLN  N       0.03 1   0.15  0.10 11
 22 GLN  HN     -0.04 1   0.15  0.10 11
 22 GLN  NE2    -0.08 1   1.16  0.10 11
 23 LEU  N      -0.12 1   0.46  0.10 11
 23 LEU  HN     -0.21 1   0.15  0.10 11
 24 SER  N      -0.11 1   0.18  0.10 11
 24 SER  HN     -0.06 1   0.15  0.10 11
 25 LYS  N      -0.09 1   0.15  0.10 11
 25 LYS  HN      0.03 1   0.15  0.10 11
 26 GLU  N       0.15 1   0.22  0.10 11
 26 GLU  HN     -0.01 1   0.15  0.10 11
 27 GLU  N       0.06 1   0.15  0.10 11
 27 GLU  HN     -0.01 1   0.15  0.10 11
 28 LEU  N      -0.08 1   0.15  0.10 11
 28 LEU  HN     -0.07 1   0.15  0.10 11
 29 LYS  N      -0.08 1   0.24  0.10 11
 29 LYS  HN     -0.02 1   0.15  0.10 11
 30 LEU  N      -0.03 1   0.15  0.10 11
 30 LEU  HN     -0.03 1   0.15  0.10 11
 31 LEU  N      -0.04 1   0.15  0.10 11
 31 LEU  HN     -0.05 1   0.15  0.10 11
 32 LEU  N      -0.03 1   0.15  0.10 11
 32 LEU  HN     -0.05 1   0.15  0.10 11
 33 GLN  N       0.00 1   0.15  0.10 11
 33 GLN  HN     -0.03 1   0.15  0.10 11
 33 GLN  NE2     0.02 1   0.27  0.10 11
 34 THR  N       0.03 1   0.15  0.10 11
 34 THR  HN     -0.03 1   0.15  0.10 11
 35 GLU  N       0.00 1   0.15  0.10 11
 35 GLU  HN      0.00 1   0.15  0.10 11
 36 PHE  N      -0.02 1   0.15  0.10 11
 36 PHE  HN     -0.02 1   0.15  0.10 11
 38 SER  N       0.05 1   0.15  0.10 11
 38 SER  HN     -0.01 1   0.15  0.10 11
 39 LEU  N      -0.04 1   0.15  0.10 11
 39 LEU  HN     -0.03 1   0.15  0.10 11
 40 LEU  N       0.05 1   0.15  0.10 11
 40 LEU  HN     -0.02 1   0.15  0.10 11
 41 LYS  N       0.00 1   0.18  0.10 11
 41 LYS  HN      0.00 1   0.15  0.10 11
 42 GLY  N       0.08 1   0.22  0.10 11
 42 GLY  HN      0.01 1   0.15  0.10 11
 43 MET  N        .53 1    .29 -1.00 11
 43 MET  HN       .05 1    .15 -1.00 11
 44 SER  N        .24 1    .15 -1.00 11
 44 SER  HN       .02 1    .15 -1.00 11
 45 THR  N      -0.33 1   0.89  0.10 11
 45 THR  HN     -0.07 1   0.18  0.10 11
 46 LEU  N       0.32 1   0.74  0.10 11
 46 LEU  HN     -0.03 1   0.15  0.10 11
 47 ASP  N      -0.18 1   0.56  0.10 11
 47 ASP  HN      0.09 1   0.15  0.10 11
 48 GLU  N       0.00 1   0.64  0.10 11
 48 GLU  HN      0.00 1   0.15  0.10 11
 49 LEU  N       0.57 1   1.08  0.10 11
 49 LEU  HN     -0.02 1   0.15  0.10 11
 50 PHE  N       0.12 1   0.15  0.10 11
 50 PHE  HN     -0.09 1   0.15  0.10 11
 51 GLU  N       0.33 1   0.15  0.10 11
 51 GLU  HN      0.12 1   0.15  0.10 11
 52 GLU  N       0.11 1   0.15  0.10 11
 52 GLU  HN     -0.05 1   0.15  0.10 11
 53 LEU  N       0.36 1   0.93  0.10 11
 53 LEU  HN     -0.16 1   0.15  0.10 11
 55 LYS  N       0.49 1   2.32  0.10 11
 55 LYS  HN     -0.47 1   0.34  0.10 11
 59 GLY  N       1.74 1   0.25  0.10 11
 59 GLY  HN      2.21 1   0.15  0.10 11
 60 GLU  N      -0.17 1   0.69  0.10 11
 60 GLU  HN     -0.04 1   0.15  0.10 11
 61 VAL  N       -.88 1   2.18 -1.00 11
 61 VAL  HN      -.70 1    .24 -1.00 11
 62 SER  N       0.02 1   0.15  0.10 11
 62 SER  HN      0.30 1   0.22  0.10 11
 63 PHE  N       0.18 1   0.22  0.10 11
 63 PHE  HN      0.16 1   0.15  0.10 11
 64 GLU  N      -0.04 1   0.15  0.10 11
 64 GLU  HN      0.27 1   0.15  0.10 11
 65 GLU  N       0.07 1   0.24  0.10 11
 65 GLU  HN      0.01 1   0.15  0.10 11
 66 PHE  N       0.14 1   0.27  0.10 11
 66 PHE  HN     -0.03 1   0.15  0.10 11
 67 GLN  N      -0.01 1   0.15  0.10 11
 67 GLN  HN      0.07 1   0.15  0.10 11
 67 GLN  NE2     0.01 1   0.15  0.10 11
 68 VAL  N      -0.20 1   0.23  0.10 11
 68 VAL  HN     -0.02 1   0.15  0.10 11
 69 LEU  N       0.03 1   0.17  0.10 11
 69 LEU  HN      0.01 1   0.15  0.10 11
 70 VAL  N      -0.24 1   0.15  0.10 11
 70 VAL  HN     -0.03 1   0.15  0.10 11
 71 LYS  N       0.05 1   0.15  0.10 11
 71 LYS  HN     -0.01 1   0.15  0.10 11
 72 LYS  N       0.00 1   0.15  0.10 11
 72 LYS  HN      0.00 1   0.15  0.10 11
 73 ILE  N       0.05 1   0.23  0.10 11
 73 ILE  HN     -0.02 1   0.15  0.10 11
 74 SER  N      -0.02 1   0.18  0.10 11
 74 SER  HN     -0.01 1   0.15  0.10 11
 75 GLN  N       0.00 1   0.15  0.10 11
 75 GLN  HN      0.00 1   0.15  0.10 11
 75 GLN  NE2     0.00 1   0.15  0.10 11
105 LTNS PCN
115 LTNS PCN  
125 LTNS PCN   
135 LTNS PCN  
145 LTNS PCN  
155 LTNS PCN  
165 LTNS PCN  
175 LTNS PCN  
185 LTNS PCN  
195 LTNS PCN  
205 LTNS PCN  
#
Residual Dipolar Coupling

  2 SER  HN       0.31  0.05  0.40  
  4 GLU- HN      -0.66  0.05  0.40  
  5 GLU- HN      -0.23  0.05  0.40  
  6 LEU  HN      -0.77  0.05  0.40  
  7 LYS+ HN      -1.06  0.05  0.40  
  8 GLY  HN      -0.82  0.05  0.40  
  9 ILE  HN      -0.65  0.05  0.40  
 10 PHE  HN      -1.16  0.05  0.40  
 11 GLU- HN      -1.26  0.05  0.40  
 12 LYS+ HN      -0.53  0.05  0.40  
 13 TYR  HN      -0.61  0.05  0.40  
 14 ALA  HN      -1.16  0.05  0.40  
 15 ALA  HN      -0.30  0.05  0.40 
 16 LYS+ HN      -0.13  0.05  0.40  
 17 GLU- HN       0.02  0.05  0.40  
 18 GLY  HN      -0.12  0.05  0.40  
 19 ASP- HN       0.15  0.05  0.40  
 21 ASN  HN      -0.15  0.05  0.40  
 22 GLN  HN       0.22  0.05  0.40  
 23 LEU  HN      -0.07  0.05  0.40  
 24 SER  HN       0.46  0.05  0.40  
 25 LYS+ HN      -0.13  0.05  0.40  
 26 GLU- HN       0.17  0.05  0.40  
 27 GLU- HN       0.60  0.05  0.40  
 28 LEU  HN       0.05  0.05  0.40  
 29 LYS+ HN      -0.18  0.05  0.40  
 30 LEU  HN       0.29  0.05  0.40  
 31 LEU  HN       0.21  0.05  0.40  
 32 LEU  HN       0.01  0.05  0.40  
 33 GLN  HN       0.14  0.05  0.40  
 34 THR  HN       0.33  0.05  0.40  
 35 GLU- HN       0.08  0.05  0.40  
 36 PHE  HN      -1.01  0.05  0.40  
 38 SER  HN      -0.50  0.05  0.40  
 39 LEU  HN       0.41  0.05  0.40  
 40 LEU  HN       0.33  0.05  0.40  
 41 LYS+ HN      -0.49  0.05  0.40  
 42 GLY  HN      -0.39  0.05  0.40  
 43 MET  HN      -0.91  0.05  0.40  
 44 SER  HN      -0.28  0.05  0.40  
 45 THR  HN       0.38  0.05  0.40  
 46 LEU  HN      -0.41  0.05  0.40  
 47 ASP- HN      -0.41  0.05  0.40  
 48 GLU- HN       0.19  0.05  0.40  
 49 LEU  HN       0.20  0.05  0.40  
 50 PHE  HN      -0.74  0.05  0.40  
 51 GLU- HN      -0.27  0.05  0.40  
 52 GLU- HN       0.23  0.05  0.40  
 53 LEU  HN      -0.28  0.05  0.40  
 54 ASP- HN      -0.63  0.05  0.40  
 61 VAL  HN      -0.08  0.05  0.40  
 63 PHE  HN       0.31  0.05  0.40  
 64 GLU- HN       0.14  0.05  0.40  
 65 GLU- HN       0.04  0.05  0.40  
 66 PHE  HN       0.27  0.05  0.40  
 67 GLN  HN       0.38  0.05  0.40  
 68 VAL  HN      -0.29  0.05  0.40  
 69 LEU  HN       0.37  0.05  0.40  
 70 VAL  HN       0.41  0.05  0.40  
 71 LYS+ HN      -0.12  0.05  0.40  
 72 LYS+ HN       0.10  0.05  0.40  
 73 ILE  HN       0.20  0.05  0.40  
 74 SER  HN       0.18  0.05  0.40  
 75 GLN  HN      -0.17  0.55  0.40  
105 LTNS 
#



  Entry H atom name         Submitted Coord H atom name
    1    H    LYS   1           HN       LYS   1   1.884   0.000   0.829
    2    HA   LYS   1           HA       LYS   1   2.866   0.742  -1.150
    3   1HB   LYS   1          2HB       LYS   1   3.092  -1.432  -2.497
    4   2HB   LYS   1          3HB       LYS   1   3.629  -1.435  -0.829
    5   1HG   LYS   1          2HG       LYS   1   2.288  -3.458  -1.309
    6   2HG   LYS   1          3HG       LYS   1   1.487  -2.463  -0.110
    7   1HD   LYS   1          2HD       LYS   1  -0.056  -1.561  -1.774
    8   2HD   LYS   1          3HD       LYS   1   0.842  -2.296  -3.087
    9   1HE   LYS   1          2HE       LYS   1   0.234  -4.547  -2.341
   10   2HE   LYS   1          3HE       LYS   1  -0.470  -3.924  -0.862
   11   1HZ   LYS   1          1HZ       LYS   1  -2.153  -4.357  -2.484
   12   2HZ   LYS   1          2HZ       LYS   1  -2.087  -2.747  -2.216
   13   3HZ   LYS   1          3HZ       LYS   1  -1.445  -3.376  -3.580
   14    H    SER   2           HN       SER   2  -0.345   0.914  -1.064
   15    HA   SER   2           HA       SER   2  -0.972   0.555  -3.801
   16   1HB   SER   2          2HB       SER   2  -2.370   1.230  -1.316
   17   2HB   SER   2          3HB       SER   2  -2.927   2.233  -2.640
   18    HG   SER   2           HG       SER   2  -2.638  -0.457  -3.357
   19    HA   PRO   3           HA       PRO   3  -0.073   4.563  -5.241
   20   1HB   PRO   3          2HB       PRO   3  -2.076   5.108  -7.019
   21   2HB   PRO   3          3HB       PRO   3  -0.717   4.067  -7.396
   22   1HG   PRO   3          2HG       PRO   3  -3.513   3.320  -6.790
   23   2HG   PRO   3          3HG       PRO   3  -2.266   2.367  -7.570
   24   1HD   PRO   3          2HD       PRO   3  -3.180   2.110  -4.864
   25   2HD   PRO   3          3HD       PRO   3  -1.856   1.238  -5.610
   26    H    GLU   4           HN       GLU   4  -3.450   4.306  -4.304
   27    HA   GLU   4           HA       GLU   4  -3.846   7.016  -4.006
   28   1HB   GLU   4          2HB       GLU   4  -5.317   4.641  -3.598
   29   2HB   GLU   4          3HB       GLU   4  -5.322   5.429  -2.033
   30   1HG   GLU   4          2HG       GLU   4  -5.805   7.275  -4.316
   31   2HG   GLU   4          3HG       GLU   4  -7.036   6.042  -4.127
   32    H    GLU   5           HN       GLU   5  -2.338   4.587  -1.872
   33    HA   GLU   5           HA       GLU   5  -2.394   6.194   0.425
   34   1HB   GLU   5          2HB       GLU   5  -1.198   3.615  -0.420
   35   2HB   GLU   5          3HB       GLU   5  -0.254   4.466   0.788
   36   1HG   GLU   5          2HG       GLU   5  -2.825   4.774   1.785
   37   2HG   GLU   5          3HG       GLU   5  -2.934   3.196   1.030
   38    H    LEU   6           HN       LEU   6  -0.223   5.899  -2.377
   39    HA   LEU   6           HA       LEU   6   2.015   7.145  -1.256
   40   1HB   LEU   6          2HB       LEU   6   0.998   6.726  -4.049
   41   2HB   LEU   6          3HB       LEU   6   2.429   7.695  -3.757
   42    HG   LEU   6           HG       LEU   6   2.134   4.843  -2.785
   43   1HD1  LEU   6          1HD1      LEU   6   2.148   4.337  -4.986
   44   2HD1  LEU   6          2HD1      LEU   6   2.847   5.904  -5.461
   45   3HD1  LEU   6          3HD1      LEU   6   3.896   4.622  -4.809
   46   1HD2  LEU   6          1HD2      LEU   6   4.525   4.905  -2.476
   47   2HD2  LEU   6          2HD2      LEU   6   4.612   6.547  -3.157
   48   3HD2  LEU   6          3HD2      LEU   6   3.785   6.270  -1.605
   49    H    LYS   7           HN       LYS   7  -0.908   8.422  -2.938
   50    HA   LYS   7           HA       LYS   7   0.000  11.092  -2.948
   51   1HB   LYS   7          2HB       LYS   7  -2.005   9.731  -4.177
   52   2HB   LYS   7          3HB       LYS   7  -2.918  10.556  -2.930
   53   1HG   LYS   7          2HG       LYS   7  -1.593  12.699  -3.661
   54   2HG   LYS   7          3HG       LYS   7  -1.172  11.784  -5.095
   55   1HD   LYS   7          2HD       LYS   7  -3.209  12.178  -6.008
   56   2HD   LYS   7          3HD       LYS   7  -4.013  11.476  -4.618
   57   1HE   LYS   7          2HE       LYS   7  -3.036  14.034  -3.775
   58   2HE   LYS   7          3HE       LYS   7  -3.766  14.279  -5.349
   59   1HZ   LYS   7          1HZ       LYS   7  -5.015  13.174  -2.947
   60   2HZ   LYS   7          2HZ       LYS   7  -5.490  14.455  -3.841
   61   3HZ   LYS   7          3HZ       LYS   7  -5.674  12.940  -4.423
   62    H    GLY   8           HN       GLY   8  -2.179   9.209  -0.751
   63   1HA   GLY   8          1HA       GLY   8  -2.852  11.265   0.987
   64   2HA   GLY   8          2HA       GLY   8  -2.775   9.560   1.386
   65    H    ILE   9           HN       ILE   9  -0.289   8.727   1.500
   66    HA   ILE   9           HA       ILE   9   0.794   9.885   3.752
   67    HB   ILE   9           HB       ILE   9   1.892   8.054   1.638
   68   1HG1  ILE   9          2HG1      ILE   9   1.007   7.655   4.510
   69   2HG1  ILE   9          3HG1      ILE   9   0.149   7.143   3.070
   70   1HG2  ILE   9          1HG2      ILE   9   3.543   7.866   3.906
   71   2HG2  ILE   9          2HG2      ILE   9   3.976   8.455   2.283
   72   3HG2  ILE   9          3HG2      ILE   9   3.425   9.602   3.528
   73   1HD1  ILE   9          1HD1      ILE   9   1.394   5.255   2.902
   74   2HD1  ILE   9          2HD1      ILE   9   2.912   6.177   3.018
   75   3HD1  ILE   9          3HD1      ILE   9   2.072   5.657   4.498
   76    H    PHE  10           HN       PHE  10   1.600  10.392   0.267
   77    HA   PHE  10           HA       PHE  10   3.801  11.973   0.557
   78   1HB   PHE  10          2HB       PHE  10   3.071  11.328  -1.645
   79   2HB   PHE  10          3HB       PHE  10   1.416  11.814  -1.333
   80    HD1  PHE  10           HD1      PHE  10   4.700  12.908  -2.442
   81    HD2  PHE  10           HD2      PHE  10   0.775  14.189  -1.464
   82    HE1  PHE  10           HE1      PHE  10   5.123  15.091  -3.606
   83    HE2  PHE  10           HE2      PHE  10   1.197  16.372  -2.628
   84    HZ   PHE  10           HZ       PHE  10   3.366  16.797  -3.685
   85    H    GLU  11           HN       GLU  11   0.350  13.108   0.324
   86    HA   GLU  11           HA       GLU  11   0.997  15.765   0.769
   87   1HB   GLU  11          2HB       GLU  11  -1.380  14.160   0.404
   88   2HB   GLU  11          3HB       GLU  11  -1.652  15.251   1.748
   89   1HG   GLU  11          2HG       GLU  11  -0.407  16.932  -0.070
   90   2HG   GLU  11          3HG       GLU  11  -1.290  15.864  -1.141
   91    H    LYS  12           HN       LYS  12   0.364  13.029   2.969
   92    HA   LYS  12           HA       LYS  12  -0.108  14.487   5.293
   93   1HB   LYS  12          2HB       LYS  12  -0.408  11.975   4.793
   94   2HB   LYS  12          3HB       LYS  12   1.288  11.811   5.199
   95   1HG   LYS  12          2HG       LYS  12   0.077  13.447   7.236
   96   2HG   LYS  12          3HG       LYS  12  -0.973  12.066   6.986
   97   1HD   LYS  12          2HD       LYS  12   1.202  10.623   7.104
   98   2HD   LYS  12          3HD       LYS  12   1.971  12.057   7.754
   99   1HE   LYS  12          2HE       LYS  12   0.325  12.143   9.606
  100   2HE   LYS  12          3HE       LYS  12  -0.544  10.779   8.931
  101   1HZ   LYS  12          1HZ       LYS  12   1.077  10.258  10.719
  102   2HZ   LYS  12          2HZ       LYS  12   1.269   9.382   9.355
  103   3HZ   LYS  12          3HZ       LYS  12   2.286  10.617   9.681
  104    H    TYR  13           HN       TYR  13   2.856  13.760   3.485
  105    HA   TYR  13           HA       TYR  13   4.484  14.764   5.685
  106   1HB   TYR  13          2HB       TYR  13   4.811  13.353   2.997
  107   2HB   TYR  13          3HB       TYR  13   6.201  14.189   3.659
  108    HD1  TYR  13           HD1      TYR  13   7.701  12.881   4.838
  109    HD2  TYR  13           HD2      TYR  13   3.559  11.813   4.894
  110    HE1  TYR  13           HE1      TYR  13   8.238  10.846   6.264
  111    HE2  TYR  13           HE2      TYR  13   4.109   9.782   6.320
  112    HH   TYR  13           HH       TYR  13   6.127   8.326   6.672
  113    H    ALA  14           HN       ALA  14   3.422  15.563   2.346
  114    HA   ALA  14           HA       ALA  14   5.154  17.764   2.037
  115   1HB   ALA  14          1HB       ALA  14   2.450  17.436   0.711
  116   2HB   ALA  14          2HB       ALA  14   3.938  18.155   0.049
  117   3HB   ALA  14          3HB       ALA  14   3.829  16.394   0.283
  118    H    ALA  15           HN       ALA  15   2.107  17.234   3.740
  119    HA   ALA  15           HA       ALA  15   1.529  20.053   3.913
  120   1HB   ALA  15          1HB       ALA  15  -0.457  19.360   5.008
  121   2HB   ALA  15          2HB       ALA  15  -0.153  18.101   3.787
  122   3HB   ALA  15          3HB       ALA  15   0.254  17.802   5.494
  123    H    LYS  16           HN       LYS  16   3.462  17.666   5.562
  124    HA   LYS  16           HA       LYS  16   3.359  18.552   8.167
  125   1HB   LYS  16          2HB       LYS  16   4.831  16.705   6.673
  126   2HB   LYS  16          3HB       LYS  16   6.044  17.787   7.326
  127   1HG   LYS  16          2HG       LYS  16   4.839  17.524   9.608
  128   2HG   LYS  16          3HG       LYS  16   3.948  16.206   8.872
  129   1HD   LYS  16          2HD       LYS  16   5.840  14.835   8.682
  130   2HD   LYS  16          3HD       LYS  16   6.950  16.189   8.591
  131   1HE   LYS  16          2HE       LYS  16   6.572  16.675  11.011
  132   2HE   LYS  16          3HE       LYS  16   5.433  15.347  11.109
  133   1HZ   LYS  16          1HZ       LYS  16   7.326  14.325  11.741
  134   2HZ   LYS  16          2HZ       LYS  16   7.455  14.053  10.136
  135   3HZ   LYS  16          3HZ       LYS  16   8.313  15.257  10.832
  136    H    GLU  17           HN       GLU  17   5.883  19.478   5.714
  137    HA   GLU  17           HA       GLU  17   6.024  22.021   7.140
  138   1HB   GLU  17          2HB       GLU  17   8.167  20.319   5.843
  139   2HB   GLU  17          3HB       GLU  17   8.413  22.045   6.024
  140   1HG   GLU  17          2HG       GLU  17   7.427  21.211   8.541
  141   2HG   GLU  17          3HG       GLU  17   8.523  19.931   8.059
  142    H    GLY  18           HN       GLY  18   5.594  23.870   5.977
  143   1HA   GLY  18          1HA       GLY  18   5.130  25.211   4.235
  144   2HA   GLY  18          2HA       GLY  18   6.148  24.191   3.238
  145    H    ASP  19           HN       ASP  19   4.161  25.076   1.795
  146    HA   ASP  19           HA       ASP  19   1.681  23.971   2.073
  147   1HB   ASP  19          2HB       ASP  19   2.790  25.688   0.325
  148   2HB   ASP  19          3HB       ASP  19   2.899  24.254  -0.676
  149    HA   PRO  20           HA       PRO  20   2.497  19.787   0.991
  150   1HB   PRO  20          2HB       PRO  20  -0.065  18.882   0.699
  151   2HB   PRO  20          3HB       PRO  20   0.726  19.034   2.256
  152   1HG   PRO  20          2HG       PRO  20  -1.353  20.760   1.058
  153   2HG   PRO  20          3HG       PRO  20  -0.864  20.634   2.736
  154   1HD   PRO  20          2HD       PRO  20  -0.177  22.729   0.900
  155   2HD   PRO  20          3HD       PRO  20   0.406  22.541   2.542
  156    H    ASN  21           HN       ASN  21   1.514  22.102  -1.079
  157    HA   ASN  21           HA       ASN  21   1.017  20.285  -3.244
  158   1HB   ASN  21          2HB       ASN  21   1.039  23.311  -2.918
  159   2HB   ASN  21          3HB       ASN  21   1.038  22.613  -4.526
  160   1HD2  ASN  21          1HD2      ASN  21  -0.774  23.402  -1.758
  161   2HD2  ASN  21          2HD2      ASN  21  -2.314  22.765  -2.230
  162    H    GLN  22           HN       GLN  22   3.720  21.000  -1.606
  163    HA   GLN  22           HA       GLN  22   5.372  20.689  -3.910
  164   1HB   GLN  22          2HB       GLN  22   6.876  22.659  -3.104
  165   2HB   GLN  22          3HB       GLN  22   5.447  23.037  -4.046
  166   1HG   GLN  22          2HG       GLN  22   4.256  23.188  -1.676
  167   2HG   GLN  22          3HG       GLN  22   5.890  23.370  -1.067
  168   1HE2  GLN  22          1HE2      GLN  22   4.902  25.454  -0.410
  169   2HE2  GLN  22          2HE2      GLN  22   5.006  26.802  -1.494
  170    H    LEU  23           HN       LEU  23   7.175  19.452  -3.400
  171    HA   LEU  23           HA       LEU  23   7.411  18.722  -0.592
  172   1HB   LEU  23          2HB       LEU  23   8.294  17.477  -3.182
  173   2HB   LEU  23          3HB       LEU  23   8.963  16.955  -1.649
  174    HG   LEU  23           HG       LEU  23   6.784  15.862  -2.830
  175   1HD1  LEU  23          1HD1      LEU  23   7.158  14.452  -1.162
  176   2HD1  LEU  23          2HD1      LEU  23   8.138  15.685  -0.333
  177   3HD1  LEU  23          3HD1      LEU  23   6.389  15.580  -0.019
  178   1HD2  LEU  23          1HD2      LEU  23   5.684  17.853  -0.827
  179   2HD2  LEU  23          2HD2      LEU  23   5.417  17.865  -2.587
  180   3HD2  LEU  23          3HD2      LEU  23   4.772  16.533  -1.597
  181    H    SER  24           HN       SER  24   9.622  18.493   0.360
  182    HA   SER  24           HA       SER  24  11.525  20.287  -0.893
  183   1HB   SER  24          2HB       SER  24  10.618  20.456   2.016
  184   2HB   SER  24          3HB       SER  24  11.993  21.323   1.360
  185    HG   SER  24           HG       SER  24   9.745  21.718  -0.206
  186    H    LYS  25           HN       LYS  25  13.722  20.144   0.482
  187    HA   LYS  25           HA       LYS  25  14.553  17.495   0.370
  188   1HB   LYS  25          2HB       LYS  25  15.927  19.633   0.183
  189   2HB   LYS  25          3HB       LYS  25  15.901  19.708   1.933
  190   1HG   LYS  25          2HG       LYS  25  16.668  17.116   1.648
  191   2HG   LYS  25          3HG       LYS  25  17.289  17.741   0.133
  192   1HD   LYS  25          2HD       LYS  25  18.023  19.676   2.078
  193   2HD   LYS  25          3HD       LYS  25  18.313  18.129   2.849
  194   1HE   LYS  25          2HE       LYS  25  19.670  17.392   0.887
  195   2HE   LYS  25          3HE       LYS  25  19.360  18.921   0.088
  196   1HZ   LYS  25          1HZ       LYS  25  20.655  18.718   2.715
  197   2HZ   LYS  25          2HZ       LYS  25  21.479  18.803   1.308
  198   3HZ   LYS  25          3HZ       LYS  25  20.534  20.050   1.778
  199    H    GLU  26           HN       GLU  26  13.927  19.597   3.270
  200    HA   GLU  26           HA       GLU  26  14.329  17.550   5.085
  201   1HB   GLU  26          2HB       GLU  26  13.563  20.313   5.124
  202   2HB   GLU  26          3HB       GLU  26  12.393  19.445   6.099
  203   1HG   GLU  26          2HG       GLU  26  14.925  18.334   6.785
  204   2HG   GLU  26          3HG       GLU  26  15.182  20.066   6.699
  205    H    GLU  27           HN       GLU  27  11.375  18.717   3.383
  206    HA   GLU  27           HA       GLU  27   9.581  17.174   4.820
  207   1HB   GLU  27          2HB       GLU  27   9.593  18.692   2.262
  208   2HB   GLU  27          3HB       GLU  27   8.405  17.406   2.335
  209   1HG   GLU  27          2HG       GLU  27   8.003  18.489   4.801
  210   2HG   GLU  27          3HG       GLU  27   8.596  19.915   3.973
  211    H    LEU  28           HN       LEU  28  10.987  16.583   1.511
  212    HA   LEU  28           HA       LEU  28   9.944  14.037   1.217
  213   1HB   LEU  28          2HB       LEU  28  11.190  15.708  -0.395
  214   2HB   LEU  28          3HB       LEU  28  12.600  14.772   0.059
  215    HG   LEU  28           HG       LEU  28  11.873  12.865  -1.015
  216   1HD1  LEU  28          1HD1      LEU  28   9.802  12.447   0.028
  217   2HD1  LEU  28          2HD1      LEU  28   9.061  13.911  -0.663
  218   3HD1  LEU  28          3HD1      LEU  28   9.453  12.529  -1.715
  219   1HD2  LEU  28          1HD2      LEU  28  11.106  15.339  -2.474
  220   2HD2  LEU  28          2HD2      LEU  28  12.299  14.083  -2.879
  221   3HD2  LEU  28          3HD2      LEU  28  10.567  13.789  -3.162
  222    H    LYS  29           HN       LYS  29  13.035  15.166   2.697
  223    HA   LYS  29           HA       LYS  29  14.343  12.852   3.071
  224   1HB   LYS  29          2HB       LYS  29  15.180  15.034   3.767
  225   2HB   LYS  29          3HB       LYS  29  13.999  15.117   5.058
  226   1HG   LYS  29          2HG       LYS  29  15.084  13.501   6.357
  227   2HG   LYS  29          3HG       LYS  29  15.774  12.686   4.968
  228   1HD   LYS  29          2HD       LYS  29  17.672  13.942   5.046
  229   2HD   LYS  29          3HD       LYS  29  16.770  15.440   5.167
  230   1HE   LYS  29          2HE       LYS  29  16.481  15.132   7.595
  231   2HE   LYS  29          3HE       LYS  29  17.217  13.544   7.521
  232   1HZ   LYS  29          1HZ       LYS  29  19.050  14.690   7.985
  233   2HZ   LYS  29          2HZ       LYS  29  19.087  15.050   6.392
  234   3HZ   LYS  29          3HZ       LYS  29  18.463  16.119   7.457
  235    H    LEU  30           HN       LEU  30  11.728  14.123   5.249
  236    HA   LEU  30           HA       LEU  30  11.690  11.997   6.993
  237   1HB   LEU  30          2HB       LEU  30   9.382  13.709   6.058
  238   2HB   LEU  30          3HB       LEU  30   9.396  12.710   7.498
  239    HG   LEU  30           HG       LEU  30  10.855  15.278   6.957
  240   1HD1  LEU  30          1HD1      LEU  30   9.772  16.083   8.843
  241   2HD1  LEU  30          2HD1      LEU  30   8.548  15.018   8.110
  242   3HD1  LEU  30          3HD1      LEU  30   9.495  14.456   9.509
  243   1HD2  LEU  30          1HD2      LEU  30  11.646  13.229   9.044
  244   2HD2  LEU  30          2HD2      LEU  30  12.628  13.803   7.675
  245   3HD2  LEU  30          3HD2      LEU  30  12.208  14.917   8.998
  246    H    LEU  31           HN       LEU  31   9.624  12.479   4.040
  247    HA   LEU  31           HA       LEU  31   8.327  10.067   4.141
  248   1HB   LEU  31          2HB       LEU  31   8.049  12.130   2.614
  249   2HB   LEU  31          3HB       LEU  31   9.206  11.337   1.563
  250    HG   LEU  31           HG       LEU  31   7.099   9.493   2.322
  251   1HD1  LEU  31          1HD1      LEU  31   5.899  11.746   2.522
  252   2HD1  LEU  31          2HD1      LEU  31   6.093  11.867   0.756
  253   3HD1  LEU  31          3HD1      LEU  31   5.174  10.515   1.460
  254   1HD2  LEU  31          1HD2      LEU  31   7.981   8.747   0.410
  255   2HD2  LEU  31          2HD2      LEU  31   6.906   9.919  -0.389
  256   3HD2  LEU  31          3HD2      LEU  31   8.598  10.354  -0.045
  257    H    LEU  32           HN       LEU  32  11.283  10.803   2.149
  258    HA   LEU  32           HA       LEU  32  11.779   8.255   1.318
  259   1HB   LEU  32          2HB       LEU  32  13.826  10.347   2.068
  260   2HB   LEU  32          3HB       LEU  32  14.084   8.974   1.009
  261    HG   LEU  32           HG       LEU  32  12.097  11.188   0.439
  262   1HD1  LEU  32          1HD1      LEU  32  13.713  12.496  -0.337
  263   2HD1  LEU  32          2HD1      LEU  32  14.892  11.386   0.402
  264   3HD1  LEU  32          3HD1      LEU  32  14.409  11.168  -1.297
  265   1HD2  LEU  32          1HD2      LEU  32  11.371   9.887  -1.200
  266   2HD2  LEU  32          2HD2      LEU  32  13.004   9.871  -1.907
  267   3HD2  LEU  32          3HD2      LEU  32  12.529   8.618  -0.735
  268    H    GLN  33           HN       GLN  33  11.989   9.581   4.548
  269    HA   GLN  33           HA       GLN  33  13.864   7.732   5.521
  270   1HB   GLN  33          2HB       GLN  33  12.702  10.035   6.481
  271   2HB   GLN  33          3HB       GLN  33  11.853   8.827   7.425
  272   1HG   GLN  33          2HG       GLN  33  14.108   7.813   8.034
  273   2HG   GLN  33          3HG       GLN  33  14.882   9.155   7.213
  274   1HE2  GLN  33          1HE2      GLN  33  14.419  11.325   7.937
  275   2HE2  GLN  33          2HE2      GLN  33  14.071  11.638   9.604
  276    H    THR  34           HN       THR  34  10.273   7.990   6.092
  277    HA   THR  34           HA       THR  34  10.206   5.239   6.961
  278    HB   THR  34           HB       THR  34   8.494   7.670   7.015
  279    HG1  THR  34           HG1      THR  34   9.132   6.891   9.012
  280   1HG2  THR  34          1HG2      THR  34   7.371   4.923   6.404
  281   2HG2  THR  34          2HG2      THR  34   6.528   5.949   7.589
  282   3HG2  THR  34          3HG2      THR  34   6.751   6.519   5.918
  283    H    GLU  35           HN       GLU  35   8.889   7.159   4.189
  284    HA   GLU  35           HA       GLU  35   7.544   5.193   2.945
  285   1HB   GLU  35          2HB       GLU  35   7.551   7.491   2.133
  286   2HB   GLU  35          3HB       GLU  35   9.257   7.406   1.740
  287   1HG   GLU  35          2HG       GLU  35   8.557   6.844  -0.358
  288   2HG   GLU  35          3HG       GLU  35   8.286   5.248   0.312
  289    H    PHE  36           HN       PHE  36  11.021   6.046   2.262
  290    HA   PHE  36           HA       PHE  36  11.599   3.232   1.961
  291   1HB   PHE  36          2HB       PHE  36  11.729   5.379  -0.227
  292   2HB   PHE  36          3HB       PHE  36  12.729   3.943  -0.326
  293    HD1  PHE  36           HD1      PHE  36   9.759   5.330  -1.408
  294    HD2  PHE  36           HD2      PHE  36  11.300   1.677   0.104
  295    HE1  PHE  36           HE1      PHE  36   7.864   4.085  -2.485
  296    HE2  PHE  36           HE2      PHE  36   9.405   0.432  -0.973
  297    HZ   PHE  36           HZ       PHE  36   7.710   1.650  -2.254
  298    HA   PRO  37           HA       PRO  37  14.994   5.490   3.808
  299   1HB   PRO  37          2HB       PRO  37  15.613   3.630   5.711
  300   2HB   PRO  37          3HB       PRO  37  14.500   4.954   5.992
  301   1HG   PRO  37          2HG       PRO  37  13.903   2.092   5.551
  302   2HG   PRO  37          3HG       PRO  37  12.878   3.334   6.243
  303   1HD   PRO  37          2HD       PRO  37  12.707   2.244   3.595
  304   2HD   PRO  37          3HD       PRO  37  11.758   3.565   4.248
  305    H    SER  38           HN       SER  38  14.693   2.453   2.325
  306    HA   SER  38           HA       SER  38  17.438   1.840   2.395
  307   1HB   SER  38          2HB       SER  38  15.084   0.523   1.661
  308   2HB   SER  38          3HB       SER  38  15.907   0.727   0.127
  309    HG   SER  38           HG       SER  38  17.077  -0.964   0.709
  310    H    LEU  39           HN       LEU  39  15.310   3.789   0.324
  311    HA   LEU  39           HA       LEU  39  17.063   3.896  -1.897
  312   1HB   LEU  39          2HB       LEU  39  14.461   4.805  -1.181
  313   2HB   LEU  39          3HB       LEU  39  15.374   6.189  -1.749
  314    HG   LEU  39           HG       LEU  39  13.986   4.825  -3.440
  315   1HD1  LEU  39          1HD1      LEU  39  16.137   6.484  -3.704
  316   2HD1  LEU  39          2HD1      LEU  39  16.691   5.039  -4.584
  317   3HD1  LEU  39          3HD1      LEU  39  15.171   5.838  -5.052
  318   1HD2  LEU  39          1HD2      LEU  39  15.198   2.662  -2.513
  319   2HD2  LEU  39          2HD2      LEU  39  14.698   2.799  -4.216
  320   3HD2  LEU  39          3HD2      LEU  39  16.394   3.088  -3.760
  321    H    LEU  40           HN       LEU  40  17.021   5.364   1.264
  322    HA   LEU  40           HA       LEU  40  18.485   7.695   0.515
  323   1HB   LEU  40          2HB       LEU  40  17.883   6.390   3.169
  324   2HB   LEU  40          3HB       LEU  40  18.787   7.882   3.005
  325    HG   LEU  40           HG       LEU  40  15.984   7.553   1.919
  326   1HD1  LEU  40          1HD1      LEU  40  16.847   7.771   4.686
  327   2HD1  LEU  40          2HD1      LEU  40  15.816   9.138   4.202
  328   3HD1  LEU  40          3HD1      LEU  40  15.229   7.469   4.009
  329   1HD2  LEU  40          1HD2      LEU  40  17.099   9.390   0.903
  330   2HD2  LEU  40          2HD2      LEU  40  16.007  10.063   2.137
  331   3HD2  LEU  40          3HD2      LEU  40  17.753   9.946   2.462
  332    H    LYS  41           HN       LYS  41  19.215   4.333   1.293
  333    HA   LYS  41           HA       LYS  41  21.905   4.749   2.038
  334   1HB   LYS  41          2HB       LYS  41  20.639   2.251   0.879
  335   2HB   LYS  41          3HB       LYS  41  22.112   2.348   1.823
  336   1HG   LYS  41          2HG       LYS  41  20.548   3.514   3.630
  337   2HG   LYS  41          3HG       LYS  41  19.251   2.748   2.735
  338   1HD   LYS  41          2HD       LYS  41  20.279   0.527   3.054
  339   2HD   LYS  41          3HD       LYS  41  21.679   1.247   3.823
  340   1HE   LYS  41          2HE       LYS  41  20.449   1.877   5.768
  341   2HE   LYS  41          3HE       LYS  41  18.904   1.747   4.951
  342   1HZ   LYS  41          1HZ       LYS  41  19.219  -0.138   6.322
  343   2HZ   LYS  41          2HZ       LYS  41  19.327  -0.651   4.775
  344   3HZ   LYS  41          3HZ       LYS  41  20.679  -0.478   5.675
  345    H    GLY  42           HN       GLY  42  20.172   4.489  -1.053
  346   1HA   GLY  42          1HA       GLY  42  22.035   3.763  -2.856
  347   2HA   GLY  42          2HA       GLY  42  20.883   5.056  -3.125
  348    H    MET  43           HN       MET  43  23.356   5.172  -4.394
  349    HA   MET  43           HA       MET  43  25.218   6.611  -2.835
  350   1HB   MET  43          2HB       MET  43  24.893   6.273  -5.869
  351   2HB   MET  43          3HB       MET  43  26.318   6.951  -5.107
  352   1HG   MET  43          2HG       MET  43  26.970   4.882  -4.162
  353   2HG   MET  43          3HG       MET  43  25.346   4.228  -4.209
  354   1HE   MET  43          1HE       MET  43  27.615   2.735  -4.795
  355   2HE   MET  43          2HE       MET  43  26.511   1.769  -5.802
  356   3HE   MET  43          3HE       MET  43  28.046   2.361  -6.481
  357    H    SER  44           HN       SER  44  22.199   7.486  -3.970
  358    HA   SER  44           HA       SER  44  22.997  10.150  -4.743
  359   1HB   SER  44          2HB       SER  44  20.283   8.760  -4.686
  360   2HB   SER  44          3HB       SER  44  20.509  10.425  -5.184
  361    HG   SER  44           HG       SER  44  20.489   8.736  -6.932
  362    H    THR  45           HN       THR  45  23.587  11.303  -2.893
  363    HA   THR  45           HA       THR  45  22.377  10.947  -0.382
  364    HB   THR  45           HB       THR  45  23.715  12.949   0.184
  365    HG1  THR  45           HG1      THR  45  24.620  14.108  -1.705
  366   1HG2  THR  45          1HG2      THR  45  25.702  11.856  -0.113
  367   2HG2  THR  45          2HG2      THR  45  24.819  10.657  -1.087
  368   3HG2  THR  45          3HG2      THR  45  25.593  12.050  -1.879
  369    H    LEU  46           HN       LEU  46  21.336  12.884   0.833
  370    HA   LEU  46           HA       LEU  46  18.806  13.222  -0.165
  371   1HB   LEU  46          2HB       LEU  46  20.046  13.707   2.172
  372   2HB   LEU  46          3HB       LEU  46  19.890  15.352   1.588
  373    HG   LEU  46           HG       LEU  46  17.958  15.161   2.788
  374   1HD1  LEU  46          1HD1      LEU  46  16.995  13.982   0.171
  375   2HD1  LEU  46          2HD1      LEU  46  16.075  14.984   1.319
  376   3HD1  LEU  46          3HD1      LEU  46  17.428  15.692   0.406
  377   1HD2  LEU  46          1HD2      LEU  46  17.326  12.360   1.894
  378   2HD2  LEU  46          2HD2      LEU  46  18.486  12.660   3.210
  379   3HD2  LEU  46          3HD2      LEU  46  16.805  13.229   3.357
  380    H    ASP  47           HN       ASP  47  21.384  15.788  -0.040
  381    HA   ASP  47           HA       ASP  47  20.098  17.664  -1.452
  382   1HB   ASP  47          2HB       ASP  47  22.804  17.077  -0.702
  383   2HB   ASP  47          3HB       ASP  47  22.848  17.532  -2.393
  384    H    GLU  48           HN       GLU  48  22.145  14.934  -2.706
  385    HA   GLU  48           HA       GLU  48  22.054  15.579  -5.358
  386   1HB   GLU  48          2HB       GLU  48  22.762  13.279  -3.726
  387   2HB   GLU  48          3HB       GLU  48  21.956  12.736  -5.184
  388   1HG   GLU  48          2HG       GLU  48  23.587  14.564  -6.323
  389   2HG   GLU  48          3HG       GLU  48  24.548  14.242  -4.893
  390    H    LEU  49           HN       LEU  49  19.737  13.638  -3.376
  391    HA   LEU  49           HA       LEU  49  18.085  12.941  -5.544
  392   1HB   LEU  49          2HB       LEU  49  18.322  12.248  -2.901
  393   2HB   LEU  49          3HB       LEU  49  16.828  13.164  -2.901
  394    HG   LEU  49           HG       LEU  49  16.860  11.295  -5.116
  395   1HD1  LEU  49          1HD1      LEU  49  17.573  10.222  -2.397
  396   2HD1  LEU  49          2HD1      LEU  49  16.620   9.255  -3.548
  397   3HD1  LEU  49          3HD1      LEU  49  18.252   9.812  -3.990
  398   1HD2  LEU  49          1HD2      LEU  49  14.695  11.475  -4.685
  399   2HD2  LEU  49          2HD2      LEU  49  14.925  10.622  -3.139
  400   3HD2  LEU  49          3HD2      LEU  49  15.054  12.396  -3.205
  401    H    PHE  50           HN       PHE  50  18.079  15.668  -3.181
  402    HA   PHE  50           HA       PHE  50  15.661  16.774  -3.907
  403   1HB   PHE  50          2HB       PHE  50  17.205  17.391  -1.979
  404   2HB   PHE  50          3HB       PHE  50  18.338  18.078  -3.125
  405    HD1  PHE  50           HD1      PHE  50  15.022  18.499  -1.584
  406    HD2  PHE  50           HD2      PHE  50  17.992  20.256  -4.053
  407    HE1  PHE  50           HE1      PHE  50  13.858  20.716  -1.406
  408    HE2  PHE  50           HE2      PHE  50  16.829  22.473  -3.875
  409    HZ   PHE  50           HZ       PHE  50  14.776  22.677  -2.554
  410    H    GLU  51           HN       GLU  51  18.984  17.545  -5.168
  411    HA   GLU  51           HA       GLU  51  17.992  19.367  -7.047
  412   1HB   GLU  51          2HB       GLU  51  20.519  18.541  -6.082
  413   2HB   GLU  51          3HB       GLU  51  20.557  18.176  -7.796
  414   1HG   GLU  51          2HG       GLU  51  19.546  20.598  -8.090
  415   2HG   GLU  51          3HG       GLU  51  20.110  20.860  -6.452
  416    H    GLU  52           HN       GLU  52  18.684  15.857  -7.078
  417    HA   GLU  52           HA       GLU  52  18.597  15.539  -9.833
  418   1HB   GLU  52          2HB       GLU  52  19.498  13.838  -8.279
  419   2HB   GLU  52          3HB       GLU  52  17.903  13.576  -7.603
  420   1HG   GLU  52          2HG       GLU  52  17.063  12.741  -9.760
  421   2HG   GLU  52          3HG       GLU  52  18.571  13.153 -10.553
  422    H    LEU  53           HN       LEU  53  16.033  15.096  -7.295
  423    HA   LEU  53           HA       LEU  53  13.988  14.345  -8.967
  424   1HB   LEU  53          2HB       LEU  53  13.878  16.000  -6.442
  425   2HB   LEU  53          3HB       LEU  53  12.503  15.219  -7.196
  426    HG   LEU  53           HG       LEU  53  14.864  13.531  -6.461
  427   1HD1  LEU  53          1HD1      LEU  53  13.544  13.246  -4.192
  428   2HD1  LEU  53          2HD1      LEU  53  14.784  14.506  -4.393
  429   3HD1  LEU  53          3HD1      LEU  53  13.060  14.926  -4.528
  430   1HD2  LEU  53          1HD2      LEU  53  12.132  12.630  -5.860
  431   2HD2  LEU  53          2HD2      LEU  53  12.422  12.993  -7.579
  432   3HD2  LEU  53          3HD2      LEU  53  13.453  11.814  -6.731
  433    H    ASP  54           HN       ASP  54  14.803  17.705  -7.843
  434    HA   ASP  54           HA       ASP  54  12.913  18.847  -9.565
  435   1HB   ASP  54          2HB       ASP  54  13.764  19.966  -7.517
  436   2HB   ASP  54          3HB       ASP  54  15.376  20.031  -8.200
  437    H    LYS  55           HN       LYS  55  13.247  18.374 -11.786
  438    HA   LYS  55           HA       LYS  55  15.927  18.969 -12.831
  439   1HB   LYS  55          2HB       LYS  55  14.879  16.586 -12.987
  440   2HB   LYS  55          3HB       LYS  55  13.886  17.274 -14.256
  441   1HG   LYS  55          2HG       LYS  55  16.300  18.220 -15.070
  442   2HG   LYS  55          3HG       LYS  55  16.853  16.797 -14.209
  443   1HD   LYS  55          2HD       LYS  55  15.658  15.309 -15.625
  444   2HD   LYS  55          3HD       LYS  55  14.555  16.556 -16.172
  445   1HE   LYS  55          2HE       LYS  55  15.972  17.263 -17.829
  446   2HE   LYS  55          3HE       LYS  55  17.384  17.175 -16.794
  447   1HZ   LYS  55          1HZ       LYS  55  17.466  14.832 -17.132
  448   2HZ   LYS  55          2HZ       LYS  55  16.071  14.830 -17.981
  449   3HZ   LYS  55          3HZ       LYS  55  17.399  15.554 -18.595
  450    H    ASN  56           HN       ASN  56  13.195  20.550 -12.242
  451    HA   ASN  56           HA       ASN  56  12.949  21.619 -14.932
  452   1HB   ASN  56          2HB       ASN  56  11.078  22.802 -13.050
  453   2HB   ASN  56          3HB       ASN  56  10.723  21.809 -14.450
  454   1HD2  ASN  56          1HD2      ASN  56   9.645  20.048 -14.054
  455   2HD2  ASN  56          2HD2      ASN  56   9.673  19.092 -12.610
  456    H    GLY  57           HN       GLY  57  13.241  22.528 -11.421
  457   1HA   GLY  57          1HA       GLY  57  14.902  24.112 -10.755
  458   2HA   GLY  57          2HA       GLY  57  14.646  24.990 -12.250
  459    H    ASP  58           HN       ASP  58  12.287  23.612  -9.855
  460    HA   ASP  58           HA       ASP  58  11.186  26.304  -9.683
  461   1HB   ASP  58          2HB       ASP  58   9.614  23.956  -8.691
  462   2HB   ASP  58          3HB       ASP  58   9.058  25.383  -9.543
  463    H    GLY  59           HN       GLY  59  12.447  23.436  -7.988
  464   1HA   GLY  59          1HA       GLY  59  13.492  23.576  -5.900
  465   2HA   GLY  59          2HA       GLY  59  12.503  24.960  -5.480
  466    H    GLU  60           HN       GLU  60  10.153  23.264  -6.837
  467    HA   GLU  60           HA       GLU  60   9.539  21.919  -4.340
  468   1HB   GLU  60          2HB       GLU  60   7.616  22.518  -6.621
  469   2HB   GLU  60          3HB       GLU  60   7.212  22.109  -4.966
  470   1HG   GLU  60          2HG       GLU  60   8.550  24.670  -5.947
  471   2HG   GLU  60          3HG       GLU  60   6.949  24.519  -5.250
  472    H    VAL  61           HN       VAL  61   9.411  19.703  -4.211
  473    HA   VAL  61           HA       VAL  61   9.881  18.251  -6.695
  474    HB   VAL  61           HB       VAL  61  10.176  17.597  -3.767
  475   1HG1  VAL  61          1HG1      VAL  61   9.750  15.451  -4.241
  476   2HG1  VAL  61          2HG1      VAL  61   9.703  15.768  -5.992
  477   3HG1  VAL  61          3HG1      VAL  61  11.260  15.459  -5.185
  478   1HG2  VAL  61          1HG2      VAL  61  12.261  18.311  -4.104
  479   2HG2  VAL  61          2HG2      VAL  61  12.495  16.991  -5.276
  480   3HG2  VAL  61          3HG2      VAL  61  11.927  18.584  -5.831
  481    H    SER  62           HN       SER  62   7.422  19.183  -6.937
  482    HA   SER  62           HA       SER  62   5.361  18.093  -5.606
  483   1HB   SER  62          2HB       SER  62   4.454  18.051  -8.240
  484   2HB   SER  62          3HB       SER  62   4.418  19.435  -7.166
  485    HG   SER  62           HG       SER  62   6.629  18.761  -8.916
  486    H    PHE  63           HN       PHE  63   3.793  16.303  -6.342
  487    HA   PHE  63           HA       PHE  63   4.971  13.860  -6.226
  488   1HB   PHE  63          2HB       PHE  63   2.473  14.719  -6.092
  489   2HB   PHE  63          3HB       PHE  63   2.440  14.518  -7.832
  490    HD1  PHE  63           HD1      PHE  63   4.001  12.354  -5.230
  491    HD2  PHE  63           HD2      PHE  63   1.010  12.732  -8.216
  492    HE1  PHE  63           HE1      PHE  63   3.404   9.933  -4.939
  493    HE2  PHE  63           HE2      PHE  63   0.413  10.311  -7.926
  494    HZ   PHE  63           HZ       PHE  63   1.618   8.941  -6.291
  495    H    GLU  64           HN       GLU  64   4.562  15.965  -9.047
  496    HA   GLU  64           HA       GLU  64   4.688  14.089 -11.037
  497   1HB   GLU  64          2HB       GLU  64   5.869  16.078 -12.307
  498   2HB   GLU  64          3HB       GLU  64   4.202  16.239 -11.793
  499   1HG   GLU  64          2HG       GLU  64   4.719  17.971 -10.420
  500   2HG   GLU  64          3HG       GLU  64   5.956  17.029  -9.610
  501    H    GLU  65           HN       GLU  65   7.415  15.938  -9.494
  502    HA   GLU  65           HA       GLU  65   9.378  14.563 -10.918
  503   1HB   GLU  65          2HB       GLU  65   9.531  16.084  -8.279
  504   2HB   GLU  65          3HB       GLU  65  10.931  15.546  -9.186
  505   1HG   GLU  65          2HG       GLU  65  10.684  17.168 -10.804
  506   2HG   GLU  65          3HG       GLU  65   8.934  17.067 -10.793
  507    H    PHE  66           HN       PHE  66   7.610  13.902  -7.906
  508    HA   PHE  66           HA       PHE  66   9.350  12.073  -6.764
  509   1HB   PHE  66          2HB       PHE  66   7.171  13.176  -5.884
  510   2HB   PHE  66          3HB       PHE  66   6.276  12.040  -6.873
  511    HD1  PHE  66           HD1      PHE  66   8.040  12.538  -3.773
  512    HD2  PHE  66           HD2      PHE  66   6.439   9.586  -6.367
  513    HE1  PHE  66           HE1      PHE  66   8.101  10.863  -1.904
  514    HE2  PHE  66           HE2      PHE  66   6.500   7.911  -4.498
  515    HZ   PHE  66           HZ       PHE  66   7.330   8.570  -2.289
  516    H    GLN  67           HN       GLN  67   6.752  11.650  -9.237
  517    HA   GLN  67           HA       GLN  67   6.682   8.934  -9.279
  518   1HB   GLN  67          2HB       GLN  67   6.487  10.751 -11.720
  519   2HB   GLN  67          3HB       GLN  67   5.789   9.152 -11.557
  520   1HG   GLN  67          2HG       GLN  67   4.772  10.453  -9.315
  521   2HG   GLN  67          3HG       GLN  67   4.823  11.750 -10.493
  522   1HE2  GLN  67          1HE2      GLN  67   2.626  10.142  -9.238
  523   2HE2  GLN  67          2HE2      GLN  67   1.649   9.566 -10.547
  524    H    VAL  68           HN       VAL  68   9.285  11.057 -10.185
  525    HA   VAL  68           HA       VAL  68  10.508   9.339 -12.086
  526    HB   VAL  68           HB       VAL  68  11.735  11.523 -10.396
  527   1HG1  VAL  68          1HG1      VAL  68  13.610  10.969 -11.474
  528   2HG1  VAL  68          2HG1      VAL  68  12.745   9.794 -12.494
  529   3HG1  VAL  68          3HG1      VAL  68  12.831  11.503 -12.983
  530   1HG2  VAL  68          1HG2      VAL  68  10.683  13.104 -11.585
  531   2HG2  VAL  68          2HG2      VAL  68  10.963  12.251 -13.122
  532   3HG2  VAL  68          3HG2      VAL  68   9.568  11.817 -12.105
  533    H    LEU  69           HN       LEU  69  10.498   9.655  -8.542
  534    HA   LEU  69           HA       LEU  69  12.796   7.993  -8.198
  535   1HB   LEU  69          2HB       LEU  69  11.661   9.846  -6.675
  536   2HB   LEU  69          3HB       LEU  69  10.795   8.462  -6.038
  537    HG   LEU  69           HG       LEU  69  12.953   7.370  -5.496
  538   1HD1  LEU  69          1HD1      LEU  69  14.118   9.941  -6.582
  539   2HD1  LEU  69          2HD1      LEU  69  15.009   8.842  -5.501
  540   3HD1  LEU  69          3HD1      LEU  69  14.455   8.269  -7.093
  541   1HD2  LEU  69          1HD2      LEU  69  12.930  10.114  -4.249
  542   2HD2  LEU  69          2HD2      LEU  69  11.636   8.932  -3.937
  543   3HD2  LEU  69          3HD2      LEU  69  13.319   8.543  -3.509
  544    H    VAL  70           HN       VAL  70   9.238   7.585  -8.303
  545    HA   VAL  70           HA       VAL  70   9.013   5.073  -7.246
  546    HB   VAL  70           HB       VAL  70   7.566   6.576  -9.403
  547   1HG1  VAL  70          1HG1      VAL  70   6.890   4.600 -10.266
  548   2HG1  VAL  70          2HG1      VAL  70   7.381   3.681  -8.823
  549   3HG1  VAL  70          3HG1      VAL  70   5.828   4.552  -8.838
  550   1HG2  VAL  70          1HG2      VAL  70   7.033   5.816  -6.530
  551   2HG2  VAL  70          2HG2      VAL  70   7.063   7.431  -7.279
  552   3HG2  VAL  70          3HG2      VAL  70   5.716   6.317  -7.617
  553    H    LYS  71           HN       LYS  71  10.560   6.114 -10.229
  554    HA   LYS  71           HA       LYS  71  10.434   3.603 -11.535
  555   1HB   LYS  71          2HB       LYS  71  10.910   6.047 -12.421
  556   2HB   LYS  71          3HB       LYS  71  12.578   5.629 -12.084
  557   1HG   LYS  71          2HG       LYS  71  11.596   3.339 -13.378
  558   2HG   LYS  71          3HG       LYS  71  10.798   4.649 -14.226
  559   1HD   LYS  71          2HD       LYS  71  13.025   5.766 -14.566
  560   2HD   LYS  71          3HD       LYS  71  13.809   4.425 -13.755
  561   1HE   LYS  71          2HE       LYS  71  14.025   3.817 -16.020
  562   2HE   LYS  71          3HE       LYS  71  12.600   2.917 -15.538
  563   1HZ   LYS  71          1HZ       LYS  71  12.327   4.165 -17.604
  564   2HZ   LYS  71          2HZ       LYS  71  11.232   4.602 -16.474
  565   3HZ   LYS  71          3HZ       LYS  71  12.507   5.572 -16.794
  566    H    LYS  72           HN       LYS  72  12.896   5.278  -9.481
  567    HA   LYS  72           HA       LYS  72  14.735   3.132  -9.655
  568   1HB   LYS  72          2HB       LYS  72  14.517   5.487  -7.759
  569   2HB   LYS  72          3HB       LYS  72  15.857   4.359  -7.771
  570   1HG   LYS  72          2HG       LYS  72  14.960   6.017 -10.177
  571   2HG   LYS  72          3HG       LYS  72  16.306   6.425  -9.132
  572   1HD   LYS  72          2HD       LYS  72  17.001   3.859  -9.756
  573   2HD   LYS  72          3HD       LYS  72  16.090   4.262 -11.198
  574   1HE   LYS  72          2HE       LYS  72  17.550   6.500 -11.129
  575   2HE   LYS  72          3HE       LYS  72  18.626   5.531 -10.143
  576   1HZ   LYS  72          1HZ       LYS  72  18.055   5.319 -12.932
  577   2HZ   LYS  72          2HZ       LYS  72  19.386   4.861 -12.104
  578   3HZ   LYS  72          3HZ       LYS  72  18.081   3.880 -12.160
  579    H    ILE  73           HN       ILE  73  11.983   3.962  -7.551
  580    HA   ILE  73           HA       ILE  73  12.655   2.009  -5.583
  581    HB   ILE  73           HB       ILE  73  10.256   3.732  -6.143
  582   1HG1  ILE  73          2HG1      ILE  73  11.897   3.731  -3.631
  583   2HG1  ILE  73          3HG1      ILE  73  12.545   4.490  -5.071
  584   1HG2  ILE  73          1HG2      ILE  73   9.235   2.902  -4.085
  585   2HG2  ILE  73          2HG2      ILE  73   9.415   1.600  -5.286
  586   3HG2  ILE  73          3HG2      ILE  73  10.539   1.703  -3.909
  587   1HD1  ILE  73          1HD1      ILE  73  11.251   6.308  -4.710
  588   2HD1  ILE  73          2HD1      ILE  73   9.788   5.299  -4.819
  589   3HD1  ILE  73          3HD1      ILE  73  10.592   5.536  -3.248
  590    H    SER  74           HN       SER  74  11.531   1.841  -8.786
  591    HA   SER  74           HA       SER  74   9.865  -0.450  -8.290
  592   1HB   SER  74          2HB       SER  74  10.075   1.530 -10.343
  593   2HB   SER  74          3HB       SER  74  10.439  -0.008 -11.099
  594    HG   SER  74           HG       SER  74   8.391  -0.625 -10.896
  595    H    GLN  75           HN       GLN  75  13.009   0.431  -9.840
  596    HA   GLN  75           HA       GLN  75  13.546  -2.191 -10.683
  597   1HB   GLN  75          2HB       GLN  75  14.672   0.369 -11.048
  598   2HB   GLN  75          3HB       GLN  75  15.931  -0.542 -10.237
  599   1HG   GLN  75          2HG       GLN  75  16.436  -1.364 -12.303
  600   2HG   GLN  75          3HG       GLN  75  15.032  -2.392 -12.097
  601   1HE2  GLN  75          1HE2      GLN  75  13.035  -0.400 -12.181
  602   2HE2  GLN  75          2HE2      GLN  75  12.912   0.215 -13.795