*HEADER   TOXIN                                   13-FEB-98   2CCO    
*TITLE    STRUCTURE OF THE CALCIUM CHANNEL BLOCKER OMEGA CONOTOXIN    
*TITLE   2 GVIA, NMR, 20 STRUCTURES                                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: OMEGA-CONOTOXIN GVIA;                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                     
*SOURCE  4 ORGANISM_COMMON: GEOGRAPHY CONE;                           
*SOURCE  5 ORGAN: VENOM GLAND                                         
*KEYWDS   CONOTOXIN, CYSTINE KNOT, INHIBITOR CYSTINE KNOT MOTIF,      
*KEYWDS  2 CALCIUM CHANNEL BLOCKER, CONE-SHELL, NMR, TOXIN            
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   P.K.PALLAGHY,R.S.NORTON                                     
*REVDAT  1   15-JUL-98 2CCO    0                                      
 
 !1 CYS
 assign (resid  1 and name   CB) (resid 16 and name   SG) 0 -1.78 3.10
 assign (resid  1 and name   SG) (resid 16 and name   CB) 0 -1.78 3.10
 assign (resid  1 and name   SG) (resid 16 and name   SG) 0 -1.78 2.10
 !2 LYS
 assign (resid  2 and name   HN) (resid 14 and name   HA) 0 -1.78 4.42
 assign (resid  2 and name   HN) (resid 15 and name   HN) 0 -1.78 4.49
 assign (resid  2 and name   HN) (resid 15 and name   HA) 0 -1.78 3.09
 assign (resid  2 and name   HN) (resid 15 and name  HB2) 0 -1.78 5.53
 assign (resid  2 and name   HN) (resid 17 and name   HN) 0 -1.78 5.54
 assign (resid  2 and name  HB2) (resid  6 and name   HN) 0 -1.78 5.63
 assign (resid  2 and name  HB2) (resid  6 and name  HB2) 0 -1.78 4.15
 assign (resid  2 and name  HB2) (resid  6 and name  HB1) 0 -1.78 4.15
 assign (resid  2 and name  HB2) (resid  6 and name  HB#) 0 -1.78 3.96
 assign (resid  2 and name  HB2) (resid  7 and name   HN) 0 -1.78 5.99
 assign (resid  2 and name  HB2) (resid 15 and name   HN) 0 -1.78 4.85
 assign (resid  2 and name  HB2) (resid 16 and name   HN) 0 -1.78 3.98
 assign (resid  2 and name  HB1) (resid  6 and name   HN) 0 -1.78 4.74
 assign (resid  2 and name  HB1) (resid  6 and name  HB2) 0 -1.78 3.66
 assign (resid  2 and name  HB1) (resid  6 and name  HB1) 0 -1.78 3.66
 assign (resid  2 and name  HB1) (resid  7 and name   HN) 0 -1.78 5.27
 assign (resid  2 and name  HB1) (resid 16 and name   HN) 0 -1.78 4.46
 assign (resid  2 and name  HG2) (resid  6 and name  HB2) 0 -1.78 5.17
 assign (resid  2 and name  HG2) (resid  6 and name  HB1) 0 -1.78 5.17
 assign (resid  2 and name  HG2) (resid 14 and name HD21) 0 -1.78 6.12
 assign (resid  2 and name  HG2) (resid 14 and name HD22) 0 -1.78 6.12
 assign (resid  2 and name  HG2) (resid 16 and name   HN) 0 -1.78 5.80
 assign (resid  2 and name  HG1) (resid  6 and name  HB2) 0 -1.78 5.17
 assign (resid  2 and name  HG1) (resid  6 and name  HB1) 0 -1.78 5.17
 assign (resid  2 and name  HG1) (resid 14 and name HD21) 0 -1.78 6.12
 assign (resid  2 and name  HG1) (resid 14 and name HD22) 0 -1.78 6.12
 assign (resid  2 and name  HG1) (resid 16 and name   HN) 0 -1.78 5.80
 assign (resid  2 and name  HG#) (resid  6 and name  HB#) 0 -1.78 4.87
 assign (resid  2 and name  HG#) (resid 14 and name HD2#) 0 -1.78 5.32
 assign (resid  2 and name  HD2) (resid  6 and name  HB2) 0 -1.78 6.71
 assign (resid  2 and name  HD2) (resid  6 and name  HB1) 0 -1.78 6.71
 assign (resid  2 and name  HD2) (resid 14 and name HD21) 0 -1.78 7.18
 assign (resid  2 and name  HD2) (resid 14 and name HD22) 0 -1.78 7.18
 assign (resid  2 and name  HD1) (resid  6 and name  HB2) 0 -1.78 6.71
 assign (resid  2 and name  HD1) (resid  6 and name  HB1) 0 -1.78 6.71
 assign (resid  2 and name  HD1) (resid 14 and name HD21) 0 -1.78 7.18
 assign (resid  2 and name  HD1) (resid 14 and name HD22) 0 -1.78 7.18
 assign (resid  2 and name  HD#) (resid  6 and name  HB#) 0 -1.78 5.34
 assign (resid  2 and name  HD#) (resid 14 and name HD2#) 0 -1.78 6.11
 !3 SER
 assign (resid  3 and name   HN) (resid  6 and name   HN) 0 -1.78 5.34
 !4 HYP
 assign (resid  4 and name   HA) (resid 26 and name   HN) 0 -1.78 3.10
 assign (resid  4 and name   HA) (resid 26 and name  HB2) 0 -1.78 3.21
 assign (resid  4 and name   HA) (resid 26 and name  HB1) 0 -1.78 3.31
 assign (resid  4 and name   HA) (resid 27 and name   HN) 0 -1.78 4.24
 assign (resid  4 and name   HA) (resid 27 and name    O) 0 -1.78 5.24
 assign (resid  4 and name  HB2) (resid  6 and name   HN) 0 -1.78 6.01
 assign (resid  4 and name  HB2) (resid 27 and name    O) 0 -1.78 5.11
 assign (resid  4 and name  HB1) (resid  6 and name   HN) 0 -1.78 5.77
 assign (resid  4 and name  HB1) (resid 27 and name   HA) 0 -1.78 3.95
 assign (resid  4 and name  HB1) (resid 27 and name    O) 0 -1.78 4.69
 assign (resid  4 and name   HG) (resid 27 and name    O) 0 -1.78 5.72
 assign (resid  4 and name  HD#) (resid 16 and name  HB1) 0 -1.78 6.17
 assign (resid  4 and name  HD#) (resid 27 and name    O) 0 -1.78 7.78
 !5 GLY
 assign (resid  5 and name   HN) (resid 25 and name  HB2) 0 -1.78 4.46
 assign (resid  5 and name   HN) (resid 25 and name  HB1) 0 -1.78 4.38
 assign (resid  5 and name   HN) (resid 26 and name  HB2) 0 -1.78 3.16
 assign (resid  5 and name   HN) (resid 27 and name    O) 0 -1.78 5.84
 assign (resid  5 and name  HA#) (resid 25 and name   HA) 0 -1.78 4.49
 assign (resid  5 and name  HA#) (resid 25 and name  HB2) 0 -1.78 4.62
 assign (resid  5 and name  HA#) (resid 27 and name    O) 0 -1.78 6.71
 !6 SER
 assign (resid  6 and name   HN) (resid 25 and name   HA) 0 -1.78 4.35
 assign (resid  6 and name   HN) (resid 25 and name  HB2) 0 -1.78 5.21
 assign (resid  6 and name   HN) (resid 25 and name  HB1) 0 -1.78 4.82
 assign (resid  6 and name   HN) (resid 26 and name   HN) 0 -1.78 3.21
 assign (resid  6 and name   HN) (resid 26 and name  HB2) 0 -1.78 3.59
 assign (resid  6 and name  HB2) (resid 26 and name   HN) 0 -1.78 4.80
 assign (resid  6 and name  HB1) (resid 26 and name   HN) 0 -1.78 4.80
 assign (resid  6 and name  HB#) (resid 26 and name   HN) 0 -1.78 4.52
 !7 SER
 assign (resid  7 and name   HN) (resid 25 and name   HA) 0 -1.78 4.26
 assign (resid  7 and name   HN) (resid 25 and name  HB1) 0 -1.78 5.87
 assign (resid  7 and name   HA) (resid 25 and name   HA) 0 -1.78 2.96
 assign (resid  7 and name   HA) (resid 25 and name  HB2) 0 -1.78 4.91
 assign (resid  7 and name   HA) (resid 25 and name  HB1) 0 -1.78 4.86
 assign (resid  7 and name   HA) (resid 25 and name  HG#) 0 -1.78 4.85
 assign (resid  7 and name   HA) (resid 26 and name   HN) 0 -1.78 3.60
 !8 CYS
 assign (resid  8 and name   HN) (resid 24 and name   HA) 0 -1.78 3.70
 assign (resid  8 and name   HN) (resid 24 and name  HB2) 0 -1.78 3.83
 assign (resid  8 and name   HN) (resid 24 and name  HB1) 0 -1.78 3.92
 assign (resid  8 and name   HN) (resid 25 and name   HN) 0 -1.78 4.44
 assign (resid  8 and name   HN) (resid 25 and name   HA) 0 -1.78 3.06
 assign (resid  8 and name   HN) (resid 25 and name  HB1) 0 -1.78 4.92
 assign (resid  8 and name   HN) (resid 25 and name  HG#) 0 -1.78 5.44
 assign (resid  8 and name   HN) (resid 26 and name   HN) 0 -1.78 4.02
 assign (resid  8 and name   HA) (resid 14 and name HD2#) 0 -1.78 5.78
 assign (resid  8 and name   CB) (resid 19 and name   SG) 0 -1.78 3.10
 assign (resid  8 and name  HB2) (resid 12 and name  HB#) 0 -1.78 5.61
 assign (resid  8 and name  HB1) (resid 12 and name   HN) 0 -1.78 4.54
 assign (resid  8 and name  HB1) (resid 25 and name   HA) 0 -1.78 4.66
 assign (resid  8 and name  HB1) (resid 26 and name   HN) 0 -1.78 4.27
 assign (resid  8 and name   SG) (resid 19 and name   CB) 0 -1.78 3.10
 assign (resid  8 and name   SG) (resid 19 and name   SG) 0 -1.78 2.10
 !9 SER
 assign (resid  9 and name   HN) (resid 11 and name   HN) 0 -1.78 4.74
 assign (resid  9 and name   HN) (resid 12 and name   HN) 0 -1.78 3.75
 assign (resid  9 and name   HA) (resid 11 and name   HN) 0 -1.78 4.04
 assign (resid  9 and name  HB2) (resid 12 and name   HN) 0 -1.78 4.41
 assign (resid  9 and name  HB1) (resid 12 and name   HN) 0 -1.78 4.41
 assign (resid  9 and name  HB#) (resid 11 and name   HN) 0 -1.78 5.27
 !10 HYP
 assign (resid 10 and name   HA) (resid 19 and name  HB2) 0 -1.78 3.68
 assign (resid 10 and name   HA) (resid 19 and name  HB1) 0 -1.78 3.44
 assign (resid 10 and name  HB2) (resid 12 and name   HN) 0 -1.78 5.68
 !11 THR
 assign (resid 11 and name   HN) (resid 12 and name  HB#) 0 -1.78 5.93
 assign (resid 11 and name   HA) (resid 13 and name   HN) 0 -1.78 4.11
 assign (resid 11 and name   HA) (resid 13 and name  HD#) 0 -1.78 7.13
 assign (resid 11 and name   HA) (resid 13 and name  HE#) 0 -1.78 6.53
 assign (resid 11 and name HG2#) (resid 13 and name  HE#) 0 -1.78 9.58
 !12 SER
 assign (resid 12 and name   HN) (resid 14 and name  HB#) 0 -1.78 5.74
 assign (resid 12 and name   HA) (resid 14 and name   HN) 0 -1.78 4.14
 !13 TYR
 assign (resid 13 and name   HN) (resid 14 and name   HA) 0 -1.78 4.78
 assign (resid 13 and name   HN) (resid 14 and name  HB#) 0 -1.78 7.09
 assign (resid 13 and name   HN) (resid 15 and name   HN) 0 -1.78 4.55
 assign (resid 13 and name   HA) (resid 15 and name   HN) 0 -1.78 3.69
 assign (resid 13 and name  HB#) (resid 15 and name   HN) 0 -1.78 5.90
 assign (resid 13 and name  HD#) (resid 15 and name   HN) 0 -1.78 7.44
 !14 ASN
 assign (resid 14 and name   HN) (resid 15 and name  HB2) 0 -1.78 4.84
 !15 CYS
 assign (resid 15 and name   HN) (resid 17 and name   HN) 0 -1.78 4.73
 assign (resid 15 and name   HN) (resid 18 and name   HN) 0 -1.78 5.08
 assign (resid 15 and name   CB) (resid 26 and name   SG) 0 -1.78 3.10
 assign (resid 15 and name  HB2) (resid 17 and name   HN) 0 -1.78 3.72
 assign (resid 15 and name  HB2) (resid 18 and name   HN) 0 -1.78 3.88
 assign (resid 15 and name  HB2) (resid 18 and name   HA) 0 -1.78 3.22
 assign (resid 15 and name  HB2) (resid 18 and name  HB#) 0 -1.78 5.50
 assign (resid 15 and name  HB2) (resid 19 and name   HN) 0 -1.78 4.26
 assign (resid 15 and name  HB2) (resid 26 and name   HA) 0 -1.78 4.55
 assign (resid 15 and name  HB2) (resid 26 and name  HB1) 0 -1.78 3.74
 assign (resid 15 and name  HB1) (resid 17 and name   HN) 0 -1.78 3.27
 assign (resid 15 and name  HB1) (resid 18 and name   HN) 0 -1.78 3.85
 assign (resid 15 and name   SG) (resid 26 and name   CB) 0 -1.78 3.10
 assign (resid 15 and name   SG) (resid 26 and name   SG) 0 -1.78 2.10
 !16 CYS
 assign (resid 16 and name   HN) (resid 17 and name  HB2) 0 -1.78 4.77
 assign (resid 16 and name   HN) (resid 18 and name   HN) 0 -1.78 5.11
 assign (resid 16 and name   HN) (resid 26 and name  HB1) 0 -1.78 4.97
 !17 ARG
 assign (resid 17 and name   HN) (resid 26 and name  HB1) 0 -1.78 4.12
 assign (resid 17 and name  HB2) (resid 27 and name   HN) 0 -1.78 4.56
 assign (resid 17 and name  HB2) (resid 27 and name  HB#) 0 -1.78 4.68
 assign (resid 17 and name  HB2) (resid 27 and name    O) 0 -1.78 5.97
 assign (resid 17 and name  HB1) (resid 27 and name   HN) 0 -1.78 5.12
 assign (resid 17 and name  HB1) (resid 27 and name  HB#) 0 -1.78 4.85
 assign (resid 17 and name  HB1) (resid 27 and name  HD#) 0 -1.78 7.37
 assign (resid 17 and name  HB1) (resid 27 and name    O) 0 -1.78 6.93
 assign (resid 17 and name  HG#) (resid 27 and name   HN) 0 -1.78 7.00
 !18 SER
 assign (resid 18 and name   HN) (resid 26 and name   HA) 0 -1.78 4.51
 assign (resid 18 and name   HN) (resid 26 and name  HB1) 0 -1.78 4.87
 assign (resid 18 and name   HN) (resid 27 and name   HN) 0 -1.78 3.50
 assign (resid 18 and name   HN) (resid 27 and name  HB#) 0 -1.78 4.70
 assign (resid 18 and name  HB2) (resid 27 and name  HD#) 0 -1.78 6.79
 assign (resid 18 and name  HB2) (resid 27 and name  HE#) 0 -1.78 7.33
 assign (resid 18 and name  HB1) (resid 27 and name  HD#) 0 -1.78 6.79
 assign (resid 18 and name  HB1) (resid 27 and name  HE#) 0 -1.78 7.33
 !19 CYS
 assign (resid 19 and name   HN) (resid 27 and name  HD#) 0 -1.78 7.28
 assign (resid 19 and name   HN) (resid 27 and name  HE#) 0 -1.78 7.25
 !20 ASN
 assign (resid 20 and name   HN) (resid 23 and name   HN) 0 -1.78 4.84
 assign (resid 20 and name   HN) (resid 24 and name   HN) 0 -1.78 4.69
 assign (resid 20 and name   HN) (resid 24 and name   HA) 0 -1.78 3.95
 assign (resid 20 and name   HN) (resid 25 and name   HN) 0 -1.78 3.30
 assign (resid 20 and name   HN) (resid 25 and name   HA) 0 -1.78 4.98
 assign (resid 20 and name   HN) (resid 26 and name   HN) 0 -1.78 4.67
 assign (resid 20 and name   HN) (resid 26 and name   HA) 0 -1.78 3.35
 assign (resid 20 and name   HN) (resid 27 and name   HN) 0 -1.78 3.77
 assign (resid 20 and name   HN) (resid 27 and name  HE#) 0 -1.78 7.21
 assign (resid 20 and name   HA) (resid 24 and name   HN) 0 -1.78 4.35
 assign (resid 20 and name   HA) (resid 27 and name  HE#) 0 -1.78 5.71
 assign (resid 20 and name  HB2) (resid 22 and name   HN) 0 -1.78 4.55
 assign (resid 20 and name  HB2) (resid 27 and name   HN) 0 -1.78 4.48
 assign (resid 20 and name  HB2) (resid 27 and name  HD#) 0 -1.78 6.01
 assign (resid 20 and name  HB2) (resid 27 and name  HE#) 0 -1.78 6.26
 assign (resid 20 and name  HB1) (resid 22 and name   HN) 0 -1.78 4.65
 assign (resid 20 and name  HB1) (resid 23 and name   HN) 0 -1.78 4.03
 assign (resid 20 and name  HB1) (resid 24 and name   HN) 0 -1.78 4.19
 assign (resid 20 and name  HB1) (resid 25 and name   HN) 0 -1.78 3.53
 assign (resid 20 and name  HB1) (resid 27 and name   HN) 0 -1.78 5.05
 assign (resid 20 and name  HB1) (resid 27 and name  HD#) 0 -1.78 6.33
 assign (resid 20 and name  HB1) (resid 27 and name  HE#) 0 -1.78 6.99
 assign (resid 20 and name HD21) (resid 22 and name   HN) 0 -1.78 5.32
 assign (resid 20 and name HD21) (resid 23 and name HG2#) 0 -1.78 5.66
 assign (resid 20 and name HD22) (resid 22 and name   HN) 0 -1.78 5.32
 assign (resid 20 and name HD22) (resid 23 and name HG2#) 0 -1.78 5.66
 assign (resid 20 and name HD2#) (resid 21 and name  HD#) 0 -1.78 7.66
 assign (resid 20 and name HD2#) (resid 22 and name   HN) 0 -1.78 5.06
 assign (resid 20 and name HD2#) (resid 22 and name   HA) 0 -1.78 6.84
 assign (resid 20 and name HD2#) (resid 23 and name HG2#) 0 -1.78 5.50
 !21 HYP
 assign (resid 21 and name   HA) (resid 24 and name   HN) 0 -1.78 3.95
 assign (resid 21 and name   HA) (resid 24 and name   HA) 0 -1.78 4.00
 assign (resid 21 and name  HB#) (resid 23 and name   HN) 0 -1.78 6.70
 !22 TYR
 assign (resid 22 and name   HN) (resid 24 and name   HN) 0 -1.78 3.55
 assign (resid 22 and name   HA) (resid 24 and name   HN) 0 -1.78 4.15
 assign (resid 22 and name  HB#) (resid 23 and name HG2#) 0 -1.78 6.48
 assign (resid 22 and name  HB#) (resid 24 and name   HN) 0 -1.78 5.74
 assign (resid 22 and name  HE#) (resid 23 and name HG2#) 0 -1.78 9.10
 !23 THR
 assign (resid 23 and name   HN) (resid 24 and name   HA) 0 -1.78 3.44
 assign (resid 23 and name   HN) (resid 24 and name  HB2) 0 -1.78 5.56
 assign (resid 23 and name   HN) (resid 24 and name  HG#) 0 -1.78 5.00
 assign (resid 23 and name HG2#) (resid 25 and name   HN) 0 -1.78 6.95
 !24 LYS
 assign (resid 24 and name   HN) (resid 25 and name   HA) 0 -1.78 4.70
 !25 ARG
 assign (resid 25 and name   HA) (resid 26 and name  HB2) 0 -1.78 4.36


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          3H        CYS   1  21.168   6.001  10.590
    2   2H    CYS   1          2H        CYS   1  19.590   5.665  11.123
    3   3H    CYS   1          1H        CYS   1  20.852   4.558  11.433
    4    HA   CYS   1           HA       CYS   1  20.495   3.535   9.530
    5   1HB   CYS   1          2HB       CYS   1  18.498   4.253   8.170
    6   2HB   CYS   1          1HB       CYS   1  18.141   4.093   9.862
    7    H    LYS   2           H        LYS   2  20.167   4.088   7.014
    8    HA   LYS   2           HA       LYS   2  22.291   6.074   6.359
    9   1HB   LYS   2          2HB       LYS   2  21.635   3.453   4.951
   10   2HB   LYS   2          1HB       LYS   2  22.727   4.621   4.375
   11   1HG   LYS   2          2HG       LYS   2  22.847   3.248   7.098
   12   2HG   LYS   2          1HG       LYS   2  23.718   2.710   5.670
   13   1HD   LYS   2          2HD       LYS   2  25.010   4.856   5.675
   14   2HD   LYS   2          1HD       LYS   2  24.137   5.368   7.120
   15   1HE   LYS   2          2HE       LYS   2  24.975   3.405   8.370
   16   2HE   LYS   2          1HE       LYS   2  25.852   2.852   6.944
   17   1HZ   LYS   2          3HZ       LYS   2  26.526   5.528   7.427
   18   2HZ   LYS   2          2HZ       LYS   2  26.667   4.673   8.883
   19   3HZ   LYS   2          1HZ       LYS   2  27.521   4.155   7.513
   20    H    SER   3           H        SER   3  22.445   6.848   4.258
   21    HA   SER   3           HA       SER   3  19.956   7.902   3.298
   22   1HB   SER   3          2HB       SER   3  21.807   9.246   1.917
   23   2HB   SER   3          1HB       SER   3  21.728   9.541   3.665
   24    HG   SER   3           HG       SER   3  23.257   7.358   2.595
   25    HA   HYP   4           HA       HYP   4  20.066   5.416  -0.509
   26   1HB   HYP   4          1HB       HYP   4  18.610   6.645  -1.890
   27   2HB   HYP   4          2HB       HYP   4  19.845   7.850  -2.145
   28   1HD   HYP   4          1HD       HYP   4  18.125   7.211   1.460
   29   2HD   HYP   4          2HD       HYP   4  19.119   8.663   1.665
   30    HOD  HYP   4           HOD2     HYP   4  16.850   8.174   0.322
   31    HG   HYP   4           HG       HYP   4  18.908   9.350  -0.580
   32    H    GLY   5           H        GLY   5  21.589   4.824  -1.865
   33   1HA   GLY   5          2HA       GLY   5  23.654   5.169  -3.115
   34   2HA   GLY   5          1HA       GLY   5  23.932   6.661  -2.214
   35    H    SER   6           H        SER   6  23.235   5.338   0.345
   36    HA   SER   6           HA       SER   6  25.869   4.455   1.098
   37   1HB   SER   6          2HB       SER   6  23.145   3.894   2.405
   38   2HB   SER   6          1HB       SER   6  24.692   3.720   3.246
   39    HG   SER   6           HG       SER   6  24.779   5.862   3.479
   40    H    SER   7           H        SER   7  26.316   2.054   1.388
   41    HA   SER   7           HA       SER   7  24.844   0.587  -0.700
   42   1HB   SER   7          2HB       SER   7  27.426   0.506  -0.593
   43   2HB   SER   7          1HB       SER   7  27.250  -0.501   0.853
   44    HG   SER   7           HG       SER   7  25.639  -1.284  -1.283
   45    H    CYS   8           H        CYS   8  23.455  -0.982  -0.357
   46    HA   CYS   8           HA       CYS   8  23.155  -1.995   2.450
   47   1HB   CYS   8          2HB       CYS   8  20.679  -2.087   1.784
   48   2HB   CYS   8          1HB       CYS   8  21.385  -0.514   2.017
   49    H    SER   9           H        SER   9  21.491  -3.672   2.487
   50    HA   SER   9           HA       SER   9  22.044  -6.037   0.745
   51   1HB   SER   9          2HB       SER   9  22.904  -6.022   3.291
   52   2HB   SER   9          1HB       SER   9  21.187  -5.961   3.694
   53    HG   SER   9           HG       SER   9  22.580  -8.124   3.075
   54    HA   HYP  10           HA       HYP  10  18.009  -5.429  -0.616
   55   1HB   HYP  10          1HB       HYP  10  17.677  -7.632  -1.375
   56   2HB   HYP  10          2HB       HYP  10  16.611  -7.808   0.025
   57   1HD   HYP  10          1HD       HYP  10  20.306  -7.647  -0.781
   58   2HD   HYP  10          2HD       HYP  10  20.724  -8.025   0.904
   59    HOD  HYP  10           HOD2     HYP  10  18.165  -9.600  -1.117
   60    HG   HYP  10           HG       HYP  10  18.426  -8.749   1.417
   61    H    THR  11           H        THR  11  18.348  -6.827   2.394
   62    HA   THR  11           HA       THR  11  16.337  -4.978   3.624
   63    HB   THR  11           HB       THR  11  15.717  -6.937   5.189
   64    HG1  THR  11           HG1      THR  11  17.609  -8.021   5.005
   65   1HG2  THR  11          1HG2      THR  11  14.428  -6.712   2.932
   66   2HG2  THR  11          3HG2      THR  11  15.607  -7.815   2.243
   67   3HG2  THR  11          2HG2      THR  11  14.545  -8.365   3.527
   68    H    SER  12           H        SER  12  19.033  -4.138   3.623
   69    HA   SER  12           HA       SER  12  20.557  -5.221   5.781
   70   1HB   SER  12          2HB       SER  12  20.500  -2.397   4.615
   71   2HB   SER  12          1HB       SER  12  21.510  -2.795   6.012
   72    HG   SER  12           HG       SER  12  22.822  -3.743   4.701
   73    H    TYR  13           H        TYR  13  17.897  -3.047   5.864
   74    HA   TYR  13           HA       TYR  13  16.513  -2.257   7.568
   75   1HB   TYR  13          2HB       TYR  13  17.965  -4.537   9.006
   76   2HB   TYR  13          1HB       TYR  13  17.287  -3.290  10.019
   77    HD1  TYR  13           HD1      TYR  13  16.305  -5.344   7.036
   78    HD2  TYR  13           HD2      TYR  13  15.071  -3.566  10.690
   79    HE1  TYR  13           HE1      TYR  13  14.074  -6.356   6.781
   80    HE2  TYR  13           HE2      TYR  13  12.859  -4.571  10.437
   81    HH   TYR  13           HH       TYR  13  11.636  -6.159   9.266
   82    H    ASN  14           H        ASN  14  19.070  -1.421   6.607
   83    HA   ASN  14           HA       ASN  14  19.853   0.341   8.824
   84   1HB   ASN  14          2HB       ASN  14  21.610  -1.341   8.306
   85   2HB   ASN  14          1HB       ASN  14  21.640  -0.789   6.637
   86   1HD2  ASN  14          2HD2      ASN  14  24.074   1.561   7.381
   87   2HD2  ASN  14          1HD2      ASN  14  23.411   0.479   6.251
   88    H    CYS  15           H        CYS  15  18.265   0.452   6.021
   89    HA   CYS  15           HA       CYS  15  19.430   3.064   5.164
   90   1HB   CYS  15          2HB       CYS  15  17.503   1.230   3.592
   91   2HB   CYS  15          1HB       CYS  15  18.189   2.734   3.097
   92    H    CYS  16           H        CYS  16  18.296   4.824   5.500
   93    HA   CYS  16           HA       CYS  16  16.010   4.800   7.249
   94   1HB   CYS  16          2HB       CYS  16  16.779   7.049   5.384
   95   2HB   CYS  16          1HB       CYS  16  15.882   7.180   6.873
   96    H    ARG  17           H        ARG  17  16.090   4.164   3.990
   97    HA   ARG  17           HA       ARG  17  13.153   4.612   3.715
   98   1HB   ARG  17          2HB       ARG  17  15.356   5.156   1.721
   99   2HB   ARG  17          1HB       ARG  17  13.684   5.014   1.200
  100   1HG   ARG  17          2HG       ARG  17  14.457   6.928   3.425
  101   2HG   ARG  17          1HG       ARG  17  14.676   7.385   1.752
  102   1HD   ARG  17          2HD       ARG  17  12.481   8.172   2.658
  103   2HD   ARG  17          1HD       ARG  17  12.239   7.060   1.322
  104    HE   ARG  17           HE       ARG  17  12.085   6.116   4.159
  105   1HH1  ARG  17          2HH1      ARG  17  11.576   3.981   2.312
  106   2HH1  ARG  17          1HH1      ARG  17   9.877   4.072   2.009
  107   1HH2  ARG  17          1HH2      ARG  17   9.688   7.347   3.242
  108   2HH2  ARG  17          2HH2      ARG  17   8.741   6.070   2.556
  109    H    SER  18           H        SER  18  15.791   2.710   2.407
  110    HA   SER  18           HA       SER  18  14.955   0.158   2.575
  111   1HB   SER  18          2HB       SER  18  12.791   0.757   1.172
  112   2HB   SER  18          1HB       SER  18  13.871   1.176  -0.152
  113    HG   SER  18           HG       SER  18  13.010  -1.180   0.290
  114    H    CYS  19           H        CYS  19  15.732  -1.000   0.341
  115    HA   CYS  19           HA       CYS  19  18.445   0.105  -0.250
  116   1HB   CYS  19          2HB       CYS  19  18.348  -2.096   0.904
  117   2HB   CYS  19          1HB       CYS  19  17.466  -2.738  -0.452
  118    H    ASN  20           H        ASN  20  19.349  -0.482  -2.481
  119    HA   ASN  20           HA       ASN  20  17.242  -0.377  -4.565
  120   1HB   ASN  20          2HB       ASN  20  18.474   1.723  -4.343
  121   2HB   ASN  20          1HB       ASN  20  19.955   0.859  -4.706
  122   1HD2  ASN  20          2HD2      ASN  20  19.079   0.426  -8.069
  123   2HD2  ASN  20          1HD2      ASN  20  20.223   0.167  -6.830
  124    HA   HYP  21           HA       HYP  21  19.268  -4.443  -4.718
  125   1HB   HYP  21          1HB       HYP  21  17.251  -5.583  -4.745
  126   2HB   HYP  21          2HB       HYP  21  17.232  -5.374  -6.499
  127   1HD   HYP  21          1HD       HYP  21  16.757  -3.294  -3.380
  128   2HD   HYP  21          2HD       HYP  21  16.186  -1.939  -4.371
  129    HOD  HYP  21           HOD2     HYP  21  14.595  -4.903  -5.432
  130    HG   HYP  21           HG       HYP  21  15.886  -3.332  -6.335
  131    H    TYR  22           H        TYR  22  19.175  -2.004  -6.994
  132    HA   TYR  22           HA       TYR  22  20.740  -3.805  -8.746
  133   1HB   TYR  22          2HB       TYR  22  18.757  -1.555  -9.532
  134   2HB   TYR  22          1HB       TYR  22  19.869  -2.238 -10.718
  135    HD1  TYR  22           HD1      TYR  22  19.968  -4.856 -10.795
  136    HD2  TYR  22           HD2      TYR  22  16.646  -2.687  -9.226
  137    HE1  TYR  22           HE1      TYR  22  18.563  -6.810 -11.082
  138    HE2  TYR  22           HE2      TYR  22  15.232  -4.671  -9.522
  139    HH   TYR  22           HH       TYR  22  16.551  -7.758 -10.527
  140    H    THR  23           H        THR  23  21.323  -1.934  -6.709
  141    HA   THR  23           HA       THR  23  23.810  -0.960  -7.996
  142    HB   THR  23           HB       THR  23  23.557   1.220  -6.797
  143    HG1  THR  23           HG1      THR  23  22.010   1.409  -5.425
  144   1HG2  THR  23          3HG2      THR  23  21.156   0.666  -8.612
  145   2HG2  THR  23          2HG2      THR  23  21.750   2.260  -8.165
  146   3HG2  THR  23          1HG2      THR  23  22.736   1.186  -9.142
  147    H    LYS  24           H        LYS  24  21.671  -1.329  -5.317
  148    HA   LYS  24           HA       LYS  24  21.839  -2.528  -3.327
  149   1HB   LYS  24          2HB       LYS  24  24.878  -2.661  -3.571
  150   2HB   LYS  24          1HB       LYS  24  23.840  -3.679  -2.625
  151   1HG   LYS  24          2HG       LYS  24  23.070  -4.993  -4.393
  152   2HG   LYS  24          1HG       LYS  24  23.443  -3.823  -5.627
  153   1HD   LYS  24          2HD       LYS  24  25.968  -4.258  -4.715
  154   2HD   LYS  24          1HD       LYS  24  25.248  -5.779  -4.223
  155   1HE   LYS  24          2HE       LYS  24  26.122  -6.007  -6.509
  156   2HE   LYS  24          1HE       LYS  24  24.364  -6.062  -6.578
  157   1HZ   LYS  24          2HZ       LYS  24  25.193  -3.376  -6.709
  158   2HZ   LYS  24          1HZ       LYS  24  26.088  -4.266  -7.844
  159   3HZ   LYS  24          3HZ       LYS  24  24.392  -4.295  -7.896
  160    H    ARG  25           H        ARG  25  21.719   0.014  -3.843
  161    HA   ARG  25           HA       ARG  25  23.385   1.431  -1.773
  162   1HB   ARG  25          2HB       ARG  25  21.827   2.753  -3.955
  163   2HB   ARG  25          1HB       ARG  25  23.007   3.328  -2.807
  164   1HG   ARG  25          2HG       ARG  25  24.866   2.579  -3.923
  165   2HG   ARG  25          1HG       ARG  25  24.035   1.316  -4.789
  166   1HD   ARG  25          2HD       ARG  25  22.760   3.288  -6.037
  167   2HD   ARG  25          1HD       ARG  25  23.884   4.354  -5.226
  168    HE   ARG  25           HE       ARG  25  24.967   2.178  -6.965
  169   1HH1  ARG  25          2HH1      ARG  25  26.750   4.023  -5.752
  170   2HH1  ARG  25          1HH1      ARG  25  27.015   5.254  -6.943
  171   1HH2  ARG  25          1HH2      ARG  25  24.100   4.190  -8.672
  172   2HH2  ARG  25          2HH2      ARG  25  25.370   5.360  -8.728
  173    H    CYS  26           H        CYS  26  21.986   2.811  -0.415
  174    HA   CYS  26           HA       CYS  26  19.507   1.562   0.150
  175   1HB   CYS  26          2HB       CYS  26  20.874   4.099   0.726
  176   2HB   CYS  26          1HB       CYS  26  19.280   3.800   1.459
  177    H    TYR  27           H        TYR  27  17.460   2.251  -0.657
  178    HA   TYR  27           HA       TYR  27  17.342   3.165  -3.336
  179   1HB   TYR  27          2HB       TYR  27  15.509   1.942  -1.648
  180   2HB   TYR  27          1HB       TYR  27  14.868   3.582  -1.641
  181    HD1  TYR  27           HD1      TYR  27  15.139   4.674  -4.227
  182    HD2  TYR  27           HD2      TYR  27  14.523   0.576  -3.226
  183    HE1  TYR  27           HE1      TYR  27  14.227   4.263  -6.434
  184    HE2  TYR  27           HE2      TYR  27  13.620   0.172  -5.438
  185    HH   TYR  27           HH       TYR  27  13.971   1.380  -7.787
  186   1HN   NH2  28          1HT       TYR  27  16.631   4.969  -0.356
  187   2HN   NH2  28          2HT       TYR  27  16.788   6.497  -1.089
   
  No H/Q in entry =         187
  Start of MODEL    2
    1   1H    CYS   1          3H        CYS   1  21.162   6.060  10.513
    2   2H    CYS   1          2H        CYS   1  19.566   5.777  11.021
    3   3H    CYS   1          1H        CYS   1  20.783   4.631  11.353
    4    HA   CYS   1           HA       CYS   1  20.425   3.614   9.444
    5   1HB   CYS   1          2HB       CYS   1  18.488   4.377   8.041
    6   2HB   CYS   1          1HB       CYS   1  18.087   4.277   9.732
    7    H    LYS   2           H        LYS   2  20.243   4.062   6.956
    8    HA   LYS   2           HA       LYS   2  22.412   5.985   6.262
    9   1HB   LYS   2          2HB       LYS   2  21.624   3.387   4.908
   10   2HB   LYS   2          1HB       LYS   2  22.684   4.553   4.278
   11   1HG   LYS   2          2HG       LYS   2  22.990   3.223   6.985
   12   2HG   LYS   2          1HG       LYS   2  23.649   2.558   5.494
   13   1HD   LYS   2          2HD       LYS   2  24.919   4.822   5.267
   14   2HD   LYS   2          1HD       LYS   2  24.498   5.083   6.953
   15   1HE   LYS   2          2HE       LYS   2  26.030   2.665   5.874
   16   2HE   LYS   2          1HE       LYS   2  26.725   3.996   6.774
   17   1HZ   LYS   2          3HZ       LYS   2  24.583   2.997   8.282
   18   2HZ   LYS   2          2HZ       LYS   2  25.545   1.670   7.789
   19   3HZ   LYS   2          1HZ       LYS   2  26.231   2.955   8.635
   20    H    SER   3           H        SER   3  22.440   7.059   4.277
   21    HA   SER   3           HA       SER   3  19.824   7.737   3.275
   22   1HB   SER   3          2HB       SER   3  21.541   9.440   2.028
   23   2HB   SER   3          1HB       SER   3  21.138   9.703   3.738
   24    HG   SER   3           HG       SER   3  23.300   9.487   3.886
   25    HA   HYP   4           HA       HYP   4  20.252   5.495  -0.562
   26   1HB   HYP   4          1HB       HYP   4  18.755   6.673  -1.920
   27   2HB   HYP   4          2HB       HYP   4  19.994   7.843  -2.283
   28   1HD   HYP   4          1HD       HYP   4  18.238   7.310   1.294
   29   2HD   HYP   4          2HD       HYP   4  19.227   8.760   1.554
   30    HOD  HYP   4           HOD2     HYP   4  17.021   8.473   0.128
   31    HG   HYP   4           HG       HYP   4  19.149   9.436  -0.720
   32    H    GLY   5           H        GLY   5  21.816   4.835  -1.752
   33   1HA   GLY   5          2HA       GLY   5  23.826   5.083  -3.048
   34   2HA   GLY   5          1HA       GLY   5  24.108   6.669  -2.303
   35    H    SER   6           H        SER   6  23.220   5.208   0.271
   36    HA   SER   6           HA       SER   6  25.923   4.480   1.148
   37   1HB   SER   6          2HB       SER   6  23.146   3.974   2.349
   38   2HB   SER   6          1HB       SER   6  24.650   3.613   3.212
   39    HG   SER   6           HG       SER   6  23.608   6.127   2.405
   40    H    SER   7           H        SER   7  26.369   2.080   1.393
   41    HA   SER   7           HA       SER   7  24.913   0.576  -0.663
   42   1HB   SER   7          2HB       SER   7  27.420   0.503  -0.742
   43   2HB   SER   7          1HB       SER   7  27.452  -0.207   0.886
   44    HG   SER   7           HG       SER   7  26.941  -2.061   0.039
   45    H    CYS   8           H        CYS   8  23.562  -0.976  -0.331
   46    HA   CYS   8           HA       CYS   8  23.242  -2.014   2.463
   47   1HB   CYS   8          2HB       CYS   8  20.763  -2.188   1.756
   48   2HB   CYS   8          1HB       CYS   8  21.357  -0.616   2.049
   49    H    SER   9           H        SER   9  21.495  -3.672   2.312
   50    HA   SER   9           HA       SER   9  22.101  -6.014   0.597
   51   1HB   SER   9          2HB       SER   9  22.994  -6.176   3.098
   52   2HB   SER   9          1HB       SER   9  21.319  -5.936   3.591
   53    HG   SER   9           HG       SER   9  21.179  -8.020   3.336
   54    HA   HYP  10           HA       HYP  10  18.029  -4.992  -0.559
   55   1HB   HYP  10          1HB       HYP  10  17.638  -6.958  -1.718
   56   2HB   HYP  10          2HB       HYP  10  16.607  -7.412  -0.362
   57   1HD   HYP  10          1HD       HYP  10  20.375  -7.202  -1.130
   58   2HD   HYP  10          2HD       HYP  10  20.690  -7.887   0.486
   59    HOD  HYP  10           HOD2     HYP  10  18.028  -9.612  -1.349
   60    HG   HYP  10           HG       HYP  10  18.405  -8.737   0.690
   61    H    THR  11           H        THR  11  18.445  -6.826   2.236
   62    HA   THR  11           HA       THR  11  16.283  -5.372   3.690
   63    HB   THR  11           HB       THR  11  16.281  -7.645   5.077
   64    HG1  THR  11           HG1      THR  11  17.196  -8.929   2.856
   65   1HG2  THR  11          1HG2      THR  11  14.511  -7.036   3.272
   66   2HG2  THR  11          3HG2      THR  11  15.547  -7.777   2.074
   67   3HG2  THR  11          2HG2      THR  11  14.845  -8.759   3.353
   68    H    SER  12           H        SER  12  19.144  -4.407   3.580
   69    HA   SER  12           HA       SER  12  20.642  -5.186   5.801
   70   1HB   SER  12          2HB       SER  12  20.282  -2.384   4.641
   71   2HB   SER  12          1HB       SER  12  21.471  -2.781   5.894
   72    HG   SER  12           HG       SER  12  22.643  -3.644   4.391
   73    H    TYR  13           H        TYR  13  17.848  -3.158   5.832
   74    HA   TYR  13           HA       TYR  13  16.468  -2.378   7.547
   75   1HB   TYR  13          2HB       TYR  13  17.906  -4.707   8.851
   76   2HB   TYR  13          1HB       TYR  13  17.451  -3.452   9.978
   77    HD1  TYR  13           HD1      TYR  13  16.010  -5.327   7.054
   78    HD2  TYR  13           HD2      TYR  13  15.297  -3.537  10.847
   79    HE1  TYR  13           HE1      TYR  13  13.680  -6.120   7.000
   80    HE2  TYR  13           HE2      TYR  13  12.984  -4.335  10.790
   81    HH   TYR  13           HH       TYR  13  11.312  -4.950   8.898
   82    H    ASN  14           H        ASN  14  18.948  -1.458   6.522
   83    HA   ASN  14           HA       ASN  14  19.737   0.334   8.712
   84   1HB   ASN  14          2HB       ASN  14  21.510  -1.336   8.230
   85   2HB   ASN  14          1HB       ASN  14  21.534  -0.816   6.551
   86   1HD2  ASN  14          2HD2      ASN  14  23.975   1.546   7.231
   87   2HD2  ASN  14          1HD2      ASN  14  23.334   0.400   6.157
   88    H    CYS  15           H        CYS  15  18.088   0.484   5.909
   89    HA   CYS  15           HA       CYS  15  19.337   3.086   5.107
   90   1HB   CYS  15          2HB       CYS  15  17.416   1.317   3.534
   91   2HB   CYS  15          1HB       CYS  15  18.116   2.806   3.021
   92    H    CYS  16           H        CYS  16  18.279   4.825   5.492
   93    HA   CYS  16           HA       CYS  16  16.058   4.958   7.261
   94   1HB   CYS  16          2HB       CYS  16  16.754   7.032   5.174
   95   2HB   CYS  16          1HB       CYS  16  15.883   7.297   6.662
   96    H    ARG  17           H        ARG  17  16.019   4.281   3.977
   97    HA   ARG  17           HA       ARG  17  13.048   4.537   3.827
   98   1HB   ARG  17          2HB       ARG  17  15.207   5.060   1.796
   99   2HB   ARG  17          1HB       ARG  17  13.548   4.819   1.269
  100   1HG   ARG  17          2HG       ARG  17  14.550   6.976   3.195
  101   2HG   ARG  17          1HG       ARG  17  14.134   7.238   1.515
  102   1HD   ARG  17          2HD       ARG  17  11.754   6.348   2.146
  103   2HD   ARG  17          1HD       ARG  17  12.271   6.601   3.817
  104    HE   ARG  17           HE       ARG  17  12.338   8.784   1.768
  105   1HH1  ARG  17          2HH1      ARG  17  13.656   9.357   4.214
  106   2HH1  ARG  17          1HH1      ARG  17  12.457  10.104   5.222
  107   1HH2  ARG  17          1HH2      ARG  17   9.902   8.796   3.156
  108   2HH2  ARG  17          2HH2      ARG  17  10.163   9.761   4.572
  109    H    SER  18           H        SER  18  15.624   2.853   2.105
  110    HA   SER  18           HA       SER  18  14.881   0.193   2.544
  111   1HB   SER  18          2HB       SER  18  13.423   1.497   0.202
  112   2HB   SER  18          1HB       SER  18  14.011  -0.145  -0.035
  113    HG   SER  18           HG       SER  18  12.529   0.686   2.237
  114    H    CYS  19           H        CYS  19  15.764  -1.148   0.460
  115    HA   CYS  19           HA       CYS  19  18.433   0.036  -0.137
  116   1HB   CYS  19          2HB       CYS  19  18.427  -2.129   1.066
  117   2HB   CYS  19          1HB       CYS  19  17.465  -2.822  -0.211
  118    H    ASN  20           H        ASN  20  19.299  -0.501  -2.366
  119    HA   ASN  20           HA       ASN  20  17.120  -0.558  -4.398
  120   1HB   ASN  20          2HB       ASN  20  18.216   1.557  -4.322
  121   2HB   ASN  20          1HB       ASN  20  19.763   0.778  -4.606
  122   1HD2  ASN  20          2HD2      ASN  20  18.979   0.102  -7.978
  123   2HD2  ASN  20          1HD2      ASN  20  20.060  -0.189  -6.693
  124    HA   HYP  21           HA       HYP  21  19.158  -4.602  -4.701
  125   1HB   HYP  21          1HB       HYP  21  17.155  -5.735  -4.893
  126   2HB   HYP  21          2HB       HYP  21  17.166  -5.387  -6.621
  127   1HD   HYP  21          1HD       HYP  21  16.687  -3.566  -3.348
  128   2HD   HYP  21          2HD       HYP  21  16.101  -2.133  -4.211
  129    HOD  HYP  21           HOD2     HYP  21  14.399  -4.807  -5.484
  130    HG   HYP  21           HG       HYP  21  15.799  -3.346  -6.286
  131    H    TYR  22           H        TYR  22  18.955  -2.121  -7.026
  132    HA   TYR  22           HA       TYR  22  20.715  -3.812  -8.731
  133   1HB   TYR  22          2HB       TYR  22  18.727  -1.596  -9.494
  134   2HB   TYR  22          1HB       TYR  22  20.016  -2.001 -10.607
  135    HD1  TYR  22           HD1      TYR  22  17.339  -3.745  -8.587
  136    HD2  TYR  22           HD2      TYR  22  19.597  -3.633 -12.200
  137    HE1  TYR  22           HE1      TYR  22  16.030  -5.622  -9.481
  138    HE2  TYR  22           HE2      TYR  22  18.295  -5.495 -13.077
  139    HH   TYR  22           HH       TYR  22  16.732  -7.062 -12.617
  140    H    THR  23           H        THR  23  21.193  -1.857  -6.620
  141    HA   THR  23           HA       THR  23  23.713  -0.859  -7.839
  142    HB   THR  23           HB       THR  23  23.327   1.402  -6.634
  143    HG1  THR  23           HG1      THR  23  20.912   1.551  -6.232
  144   1HG2  THR  23          2HG2      THR  23  21.069   0.690  -8.604
  145   2HG2  THR  23          1HG2      THR  23  21.648   2.310  -8.238
  146   3HG2  THR  23          3HG2      THR  23  22.676   1.173  -9.085
  147    H    LYS  24           H        LYS  24  21.542  -1.445  -5.211
  148    HA   LYS  24           HA       LYS  24  21.754  -2.500  -3.219
  149   1HB   LYS  24          2HB       LYS  24  24.789  -2.713  -3.598
  150   2HB   LYS  24          1HB       LYS  24  23.791  -3.631  -2.518
  151   1HG   LYS  24          2HG       LYS  24  22.544  -4.669  -4.455
  152   2HG   LYS  24          1HG       LYS  24  23.702  -3.924  -5.539
  153   1HD   LYS  24          2HD       LYS  24  25.552  -5.176  -4.631
  154   2HD   LYS  24          1HD       LYS  24  24.591  -5.762  -3.281
  155   1HE   LYS  24          2HE       LYS  24  23.994  -6.393  -6.207
  156   2HE   LYS  24          1HE       LYS  24  24.817  -7.477  -5.099
  157   1HZ   LYS  24          2HZ       LYS  24  22.469  -6.560  -3.866
  158   2HZ   LYS  24          1HZ       LYS  24  22.064  -7.095  -5.425
  159   3HZ   LYS  24          3HZ       LYS  24  22.850  -8.141  -4.343
  160    H    ARG  25           H        ARG  25  21.646   0.000  -3.744
  161    HA   ARG  25           HA       ARG  25  23.356   1.361  -1.708
  162   1HB   ARG  25          2HB       ARG  25  22.050   2.613  -4.109
  163   2HB   ARG  25          1HB       ARG  25  23.096   3.282  -2.872
  164   1HG   ARG  25          2HG       ARG  25  24.081   1.061  -4.698
  165   2HG   ARG  25          1HG       ARG  25  24.334   2.755  -5.081
  166   1HD   ARG  25          2HD       ARG  25  25.567   3.003  -2.905
  167   2HD   ARG  25          1HD       ARG  25  25.330   1.288  -2.602
  168    HE   ARG  25           HE       ARG  25  26.842   2.311  -4.975
  169   1HH1  ARG  25          1HH2      ARG  25  25.994  -0.527  -4.550
  170   2HH1  ARG  25          2HH2      ARG  25  27.430  -1.275  -3.940
  171   1HH2  ARG  25          2HH1      ARG  25  28.801   1.910  -3.229
  172   2HH2  ARG  25          1HH1      ARG  25  29.147   0.210  -3.132
  173    H    CYS  26           H        CYS  26  22.005   2.775  -0.387
  174    HA   CYS  26           HA       CYS  26  19.447   1.653   0.137
  175   1HB   CYS  26          2HB       CYS  26  20.906   4.161   0.743
  176   2HB   CYS  26          1HB       CYS  26  19.284   3.892   1.466
  177    H    TYR  27           H        TYR  27  17.463   2.340  -0.683
  178    HA   TYR  27           HA       TYR  27  17.350   3.247  -3.346
  179   1HB   TYR  27          2HB       TYR  27  15.505   2.165  -1.528
  180   2HB   TYR  27          1HB       TYR  27  14.888   3.799  -1.737
  181    HD1  TYR  27           HD2      TYR  27  15.272   4.558  -4.430
  182    HD2  TYR  27           HD1      TYR  27  14.496   0.637  -2.946
  183    HE1  TYR  27           HE2      TYR  27  14.361   3.901  -6.602
  184    HE2  TYR  27           HE1      TYR  27  13.594  -0.006  -5.118
  185    HH   TYR  27           HH       TYR  27  13.910   0.801  -7.526
  186   1HN   NH2  28          1HT       TYR  27  16.638   5.157  -0.414
  187   2HN   NH2  28          2HT       TYR  27  16.900   6.655  -1.179
   
  No H/Q in entry =         187
  Start of MODEL    3
    1   1H    CYS   1          2H        CYS   1  21.114   6.271  10.468
    2   2H    CYS   1          1H        CYS   1  19.562   5.850  11.017
    3   3H    CYS   1          3H        CYS   1  20.891   4.834  11.350
    4    HA   CYS   1           HA       CYS   1  20.590   3.739   9.483
    5   1HB   CYS   1          2HB       CYS   1  18.558   4.360   8.079
    6   2HB   CYS   1          1HB       CYS   1  18.219   4.134   9.771
    7    H    LYS   2           H        LYS   2  20.312   4.108   6.989
    8    HA   LYS   2           HA       LYS   2  22.351   6.134   6.231
    9   1HB   LYS   2          2HB       LYS   2  21.541   3.581   4.841
   10   2HB   LYS   2          1HB       LYS   2  22.618   4.726   4.197
   11   1HG   LYS   2          2HG       LYS   2  22.834   3.155   6.786
   12   2HG   LYS   2          1HG       LYS   2  23.640   2.777   5.279
   13   1HD   LYS   2          2HD       LYS   2  24.876   5.079   5.571
   14   2HD   LYS   2          1HD       LYS   2  24.191   5.083   7.181
   15   1HE   LYS   2          2HE       LYS   2  25.225   2.990   7.792
   16   2HE   LYS   2          1HE       LYS   2  25.814   2.716   6.152
   17   1HZ   LYS   2          3HZ       LYS   2  26.721   5.216   7.032
   18   2HZ   LYS   2          2HZ       LYS   2  27.051   4.070   8.240
   19   3HZ   LYS   2          1HZ       LYS   2  27.624   3.824   6.662
   20    H    SER   3           H        SER   3  22.334   7.182   4.249
   21    HA   SER   3           HA       SER   3  19.694   7.882   3.324
   22   1HB   SER   3          2HB       SER   3  21.286   9.568   1.989
   23   2HB   SER   3          1HB       SER   3  21.181   9.808   3.743
   24    HG   SER   3           HG       SER   3  23.201   8.618   2.201
   25    HA   HYP   4           HA       HYP   4  20.172   5.428  -0.466
   26   1HB   HYP   4          1HB       HYP   4  18.642   6.526  -1.863
   27   2HB   HYP   4          2HB       HYP   4  19.824   7.763  -2.203
   28   1HD   HYP   4          1HD       HYP   4  18.056   7.064   1.314
   29   2HD   HYP   4          2HD       HYP   4  18.899   8.592   1.638
   30    HOD  HYP   4           HOD2     HYP   4  16.817   8.214   0.215
   31    HG   HYP   4           HG       HYP   4  18.914   9.292  -0.619
   32    H    GLY   5           H        GLY   5  21.673   4.867  -1.819
   33   1HA   GLY   5          2HA       GLY   5  23.690   5.150  -3.095
   34   2HA   GLY   5          1HA       GLY   5  23.984   6.698  -2.285
   35    H    SER   6           H        SER   6  23.232   5.287   0.281
   36    HA   SER   6           HA       SER   6  25.949   4.485   1.014
   37   1HB   SER   6          2HB       SER   6  24.224   5.328   2.751
   38   2HB   SER   6          1HB       SER   6  23.313   3.834   2.438
   39    HG   SER   6           HG       SER   6  25.298   4.028   4.107
   40    H    SER   7           H        SER   7  26.316   2.083   1.472
   41    HA   SER   7           HA       SER   7  24.947   0.565  -0.611
   42   1HB   SER   7          2HB       SER   7  27.171  -0.639   1.127
   43   2HB   SER   7          1HB       SER   7  26.885  -0.895  -0.599
   44    HG   SER   7           HG       SER   7  28.072   0.783  -1.001
   45    H    CYS   8           H        CYS   8  23.508  -0.973  -0.310
   46    HA   CYS   8           HA       CYS   8  23.029  -1.946   2.475
   47   1HB   CYS   8          2HB       CYS   8  20.607  -2.199   1.612
   48   2HB   CYS   8          1HB       CYS   8  21.132  -0.609   1.871
   49    H    SER   9           H        SER   9  21.339  -3.628   2.266
   50    HA   SER   9           HA       SER   9  22.048  -6.007   0.649
   51   1HB   SER   9          2HB       SER   9  22.807  -6.096   3.243
   52   2HB   SER   9          1HB       SER   9  21.083  -5.973   3.580
   53    HG   SER   9           HG       SER   9  20.987  -8.041   3.212
   54    HA   HYP  10           HA       HYP  10  18.030  -4.880  -0.625
   55   1HB   HYP  10          1HB       HYP  10  17.709  -6.823  -1.862
   56   2HB   HYP  10          2HB       HYP  10  16.579  -7.283  -0.584
   57   1HD   HYP  10          1HD       HYP  10  20.369  -7.138  -1.158
   58   2HD   HYP  10          2HD       HYP  10  20.613  -7.852   0.459
   59    HOD  HYP  10           HOD2     HYP  10  17.928  -9.451  -1.522
   60    HG   HYP  10           HG       HYP  10  18.291  -8.630   0.585
   61    H    THR  11           H        THR  11  18.325  -6.941   1.990
   62    HA   THR  11           HA       THR  11  16.269  -5.570   3.640
   63    HB   THR  11           HB       THR  11  16.334  -7.972   4.802
   64    HG1  THR  11           HG1      THR  11  17.018  -9.192   2.571
   65   1HG2  THR  11          2HG2      THR  11  14.451  -7.175   3.212
   66   2HG2  THR  11          1HG2      THR  11  15.396  -7.778   1.865
   67   3HG2  THR  11          3HG2      THR  11  14.771  -8.893   3.074
   68    H    SER  12           H        SER  12  18.784  -4.273   3.628
   69    HA   SER  12           HA       SER  12  20.472  -5.498   5.661
   70   1HB   SER  12          2HB       SER  12  21.500  -3.875   4.117
   71   2HB   SER  12          1HB       SER  12  20.383  -2.602   4.608
   72    HG   SER  12           HG       SER  12  21.580  -3.787   6.771
   73    H    TYR  13           H        TYR  13  18.028  -3.082   5.668
   74    HA   TYR  13           HA       TYR  13  16.575  -2.276   7.301
   75   1HB   TYR  13          2HB       TYR  13  18.115  -4.038   9.323
   76   2HB   TYR  13          1HB       TYR  13  16.542  -3.309   9.555
   77    HD1  TYR  13           HD1      TYR  13  14.790  -3.892   7.536
   78    HD2  TYR  13           HD2      TYR  13  18.094  -6.303   8.708
   79    HE1  TYR  13           HE1      TYR  13  13.722  -5.856   6.527
   80    HE2  TYR  13           HE2      TYR  13  17.028  -8.255   7.702
   81    HH   TYR  13           HH       TYR  13  14.930  -9.056   6.961
   82    H    ASN  14           H        ASN  14  19.214  -1.558   6.401
   83    HA   ASN  14           HA       ASN  14  20.084   0.185   8.627
   84   1HB   ASN  14          2HB       ASN  14  21.778  -1.458   7.861
   85   2HB   ASN  14          1HB       ASN  14  21.672  -0.829   6.234
   86   1HD2  ASN  14          2HD2      ASN  14  24.190   1.496   6.934
   87   2HD2  ASN  14          1HD2      ASN  14  23.443   0.492   5.784
   88    H    CYS  15           H        CYS  15  18.255   0.453   5.922
   89    HA   CYS  15           HA       CYS  15  19.381   3.127   5.200
   90   1HB   CYS  15          2HB       CYS  15  17.445   1.396   3.583
   91   2HB   CYS  15          1HB       CYS  15  18.205   2.882   3.119
   92    H    CYS  16           H        CYS  16  18.204   4.902   5.385
   93    HA   CYS  16           HA       CYS  16  15.936   4.862   7.216
   94   1HB   CYS  16          2HB       CYS  16  16.708   7.113   5.354
   95   2HB   CYS  16          1HB       CYS  16  15.781   7.251   6.816
   96    H    ARG  17           H        ARG  17  16.081   4.233   3.974
   97    HA   ARG  17           HA       ARG  17  13.148   4.784   3.580
   98   1HB   ARG  17          2HB       ARG  17  15.387   4.940   1.529
   99   2HB   ARG  17          1HB       ARG  17  13.699   5.146   1.148
  100   1HG   ARG  17          2HG       ARG  17  14.647   6.893   3.387
  101   2HG   ARG  17          1HG       ARG  17  15.449   7.189   1.861
  102   1HD   ARG  17          2HD       ARG  17  12.419   7.076   2.128
  103   2HD   ARG  17          1HD       ARG  17  13.360   8.563   2.230
  104    HE   ARG  17           HE       ARG  17  13.368   6.790  -0.196
  105   1HH1  ARG  17          1HH2      ARG  17  15.469   8.536  -0.634
  106   2HH1  ARG  17          2HH2      ARG  17  14.788  10.034  -1.157
  107   1HH2  ARG  17          2HH1      ARG  17  11.601   9.124   0.025
  108   2HH2  ARG  17          1HH1      ARG  17  12.457  10.382  -0.805
  109    H    SER  18           H        SER  18  15.735   2.774   2.333
  110    HA   SER  18           HA       SER  18  14.901   0.218   2.673
  111   1HB   SER  18          2HB       SER  18  13.380   1.481   0.336
  112   2HB   SER  18          1HB       SER  18  13.966  -0.162   0.100
  113    HG   SER  18           HG       SER  18  12.310   0.874   2.110
  114    H    CYS  19           H        CYS  19  15.735  -1.093   0.516
  115    HA   CYS  19           HA       CYS  19  18.439   0.024  -0.017
  116   1HB   CYS  19          2HB       CYS  19  18.355  -2.198   1.016
  117   2HB   CYS  19          1HB       CYS  19  17.326  -2.767  -0.269
  118    H    ASN  20           H        ASN  20  19.361  -0.587  -2.260
  119    HA   ASN  20           HA       ASN  20  17.319  -0.345  -4.401
  120   1HB   ASN  20          2HB       ASN  20  18.705   1.724  -4.126
  121   2HB   ASN  20          1HB       ASN  20  20.110   0.738  -4.505
  122   1HD2  ASN  20          2HD2      ASN  20  19.210   0.309  -7.846
  123   2HD2  ASN  20          1HD2      ASN  20  20.311  -0.059  -6.603
  124    HA   HYP  21           HA       HYP  21  19.228  -4.416  -4.521
  125   1HB   HYP  21          1HB       HYP  21  17.133  -5.425  -4.333
  126   2HB   HYP  21          2HB       HYP  21  17.217  -5.560  -6.091
  127   1HD   HYP  21          1HD       HYP  21  16.465  -2.968  -3.402
  128   2HD   HYP  21          2HD       HYP  21  16.123  -1.789  -4.691
  129    HOD  HYP  21           HOD2     HYP  21  14.807  -5.166  -5.134
  130    HG   HYP  21           HG       HYP  21  15.941  -3.451  -6.393
  131    H    TYR  22           H        TYR  22  19.157  -2.028  -6.747
  132    HA   TYR  22           HA       TYR  22  20.499  -3.822  -8.653
  133   1HB   TYR  22          2HB       TYR  22  18.333  -1.787  -9.084
  134   2HB   TYR  22          1HB       TYR  22  19.694  -1.473 -10.152
  135    HD1  TYR  22           HD1      TYR  22  20.696  -3.582 -11.331
  136    HD2  TYR  22           HD2      TYR  22  16.734  -3.393  -9.779
  137    HE1  TYR  22           HE1      TYR  22  20.028  -5.431 -12.798
  138    HE2  TYR  22           HE2      TYR  22  16.074  -5.237 -11.252
  139    HH   TYR  22           HH       TYR  22  17.345  -7.215 -12.395
  140    H    THR  23           H        THR  23  21.239  -1.898  -6.569
  141    HA   THR  23           HA       THR  23  23.787  -1.202  -7.929
  142    HB   THR  23           HB       THR  23  23.688   1.108  -6.843
  143    HG1  THR  23           HG1      THR  23  22.090   1.458  -5.514
  144   1HG2  THR  23          2HG2      THR  23  21.166   0.569  -8.503
  145   2HG2  THR  23          1HG2      THR  23  21.906   2.133  -8.220
  146   3HG2  THR  23          3HG2      THR  23  22.734   0.917  -9.176
  147    H    LYS  24           H        LYS  24  21.706  -1.402  -5.234
  148    HA   LYS  24           HA       LYS  24  21.850  -2.565  -3.218
  149   1HB   LYS  24          2HB       LYS  24  24.903  -2.715  -3.493
  150   2HB   LYS  24          1HB       LYS  24  23.901  -3.566  -2.366
  151   1HG   LYS  24          2HG       LYS  24  22.799  -4.866  -4.200
  152   2HG   LYS  24          1HG       LYS  24  23.925  -4.143  -5.349
  153   1HD   LYS  24          2HD       LYS  24  25.843  -5.050  -4.060
  154   2HD   LYS  24          1HD       LYS  24  24.735  -5.748  -2.885
  155   1HE   LYS  24          2HE       LYS  24  23.736  -7.171  -4.664
  156   2HE   LYS  24          1HE       LYS  24  24.823  -6.451  -5.850
  157   1HZ   LYS  24          3HZ       LYS  24  26.344  -7.314  -3.660
  158   2HZ   LYS  24          2HZ       LYS  24  25.314  -8.585  -4.115
  159   3HZ   LYS  24          1HZ       LYS  24  26.366  -7.897  -5.254
  160    H    ARG  25           H        ARG  25  21.757  -0.023  -3.800
  161    HA   ARG  25           HA       ARG  25  23.434   1.390  -1.739
  162   1HB   ARG  25          2HB       ARG  25  21.884   2.753  -3.876
  163   2HB   ARG  25          1HB       ARG  25  23.120   3.304  -2.787
  164   1HG   ARG  25          2HG       ARG  25  24.907   2.432  -3.960
  165   2HG   ARG  25          1HG       ARG  25  23.967   1.302  -4.881
  166   1HD   ARG  25          2HD       ARG  25  22.825   3.497  -5.914
  167   2HD   ARG  25          1HD       ARG  25  24.088   4.386  -5.083
  168    HE   ARG  25           HE       ARG  25  25.666   2.831  -6.477
  169   1HH1  ARG  25          1HH2      ARG  25  23.721   5.224  -7.363
  170   2HH1  ARG  25          2HH2      ARG  25  23.602   4.877  -9.058
  171   1HH2  ARG  25          2HH1      ARG  25  25.097   1.719  -8.569
  172   2HH2  ARG  25          1HH1      ARG  25  24.390   2.751  -9.761
  173    H    CYS  26           H        CYS  26  22.059   2.798  -0.393
  174    HA   CYS  26           HA       CYS  26  19.553   1.596   0.216
  175   1HB   CYS  26          2HB       CYS  26  20.999   4.123   0.788
  176   2HB   CYS  26          1HB       CYS  26  19.373   3.886   1.493
  177    H    TYR  27           H        TYR  27  17.555   2.222  -0.557
  178    HA   TYR  27           HA       TYR  27  17.276   3.051  -3.223
  179   1HB   TYR  27          2HB       TYR  27  15.542   1.878  -1.441
  180   2HB   TYR  27          1HB       TYR  27  14.952   3.534  -1.316
  181    HD1  TYR  27           HD1      TYR  27  16.189   1.226  -3.932
  182    HD2  TYR  27           HD2      TYR  27  13.205   4.062  -2.897
  183    HE1  TYR  27           HE1      TYR  27  15.146   0.867  -6.086
  184    HE2  TYR  27           HE2      TYR  27  12.141   3.704  -5.067
  185    HH   TYR  27           HH       TYR  27  12.952   2.937  -7.358
  186   1HN   NH2  28          1HT       TYR  27  16.544   5.024  -0.351
  187   2HN   NH2  28          2HT       TYR  27  16.752   6.496  -1.172
   
  No H/Q in entry =         187
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1  21.635   5.778  10.613
    2   2H    CYS   1          3H        CYS   1  20.107   5.489  11.295
    3   3H    CYS   1          2H        CYS   1  21.333   4.312  11.422
    4    HA   CYS   1           HA       CYS   1  20.722   3.394   9.524
    5   1HB   CYS   1          2HB       CYS   1  18.647   4.150   8.455
    6   2HB   CYS   1          1HB       CYS   1  18.459   4.271  10.180
    7    H    LYS   2           H        LYS   2  20.321   3.993   7.088
    8    HA   LYS   2           HA       LYS   2  22.303   6.096   6.352
    9   1HB   LYS   2          2HB       LYS   2  21.864   3.335   5.201
   10   2HB   LYS   2          1HB       LYS   2  22.750   4.584   4.438
   11   1HG   LYS   2          2HG       LYS   2  24.071   4.748   6.734
   12   2HG   LYS   2          1HG       LYS   2  23.126   3.388   7.274
   13   1HD   LYS   2          2HD       LYS   2  25.187   3.337   5.057
   14   2HD   LYS   2          1HD       LYS   2  25.280   2.569   6.621
   15   1HE   LYS   2          2HE       LYS   2  23.163   1.228   5.983
   16   2HE   LYS   2          1HE       LYS   2  23.391   1.818   4.354
   17   1HZ   LYS   2          2HZ       LYS   2  25.868   0.916   5.231
   18   2HZ   LYS   2          1HZ       LYS   2  24.746  -0.300   5.590
   19   3HZ   LYS   2          3HZ       LYS   2  24.888   0.285   4.013
   20    H    SER   3           H        SER   3  22.142   7.157   4.311
   21    HA   SER   3           HA       SER   3  19.427   7.521   3.433
   22   1HB   SER   3          2HB       SER   3  20.850   9.418   2.123
   23   2HB   SER   3          1HB       SER   3  20.674   9.589   3.881
   24    HG   SER   3           HG       SER   3  22.856   8.717   2.371
   25    HA   HYP   4           HA       HYP   4  19.966   5.376  -0.481
   26   1HB   HYP   4          1HB       HYP   4  18.548   6.573  -1.905
   27   2HB   HYP   4          2HB       HYP   4  19.807   7.744  -2.164
   28   1HD   HYP   4          1HD       HYP   4  17.898   7.117   1.292
   29   2HD   HYP   4          2HD       HYP   4  18.836   8.583   1.641
   30    HOD  HYP   4           HOD2     HYP   4  16.753   8.599  -0.045
   31    HG   HYP   4           HG       HYP   4  18.898   9.289  -0.641
   32    H    GLY   5           H        GLY   5  21.408   4.889  -1.973
   33   1HA   GLY   5          2HA       GLY   5  23.494   5.187  -3.171
   34   2HA   GLY   5          1HA       GLY   5  23.799   6.652  -2.237
   35    H    SER   6           H        SER   6  23.157   5.406   0.222
   36    HA   SER   6           HA       SER   6  25.747   4.512   1.095
   37   1HB   SER   6          2HB       SER   6  22.985   4.000   2.329
   38   2HB   SER   6          1HB       SER   6  24.526   3.737   3.159
   39    HG   SER   6           HG       SER   6  23.256   6.088   2.421
   40    H    SER   7           H        SER   7  26.356   2.231   1.322
   41    HA   SER   7           HA       SER   7  24.937   0.651  -0.650
   42   1HB   SER   7          2HB       SER   7  27.303  -0.443   0.975
   43   2HB   SER   7          1HB       SER   7  26.945  -0.696  -0.738
   44    HG   SER   7           HG       SER   7  27.985   1.099  -1.172
   45    H    CYS   8           H        CYS   8  23.522  -0.893  -0.295
   46    HA   CYS   8           HA       CYS   8  23.277  -1.966   2.512
   47   1HB   CYS   8          2HB       CYS   8  20.758  -1.960   1.987
   48   2HB   CYS   8          1HB       CYS   8  21.490  -0.414   2.084
   49    H    SER   9           H        SER   9  21.240  -3.568   2.053
   50    HA   SER   9           HA       SER   9  21.810  -5.732   0.170
   51   1HB   SER   9          2HB       SER   9  22.301  -5.805   3.114
   52   2HB   SER   9          1HB       SER   9  21.011  -6.925   2.652
   53    HG   SER   9           HG       SER   9  23.690  -6.916   1.949
   54    HA   HYP  10           HA       HYP  10  17.691  -5.055  -0.718
   55   1HB   HYP  10          1HB       HYP  10  17.211  -7.096  -1.689
   56   2HB   HYP  10          2HB       HYP  10  16.471  -7.561  -0.158
   57   1HD   HYP  10          1HD       HYP  10  20.083  -7.008  -1.408
   58   2HD   HYP  10          2HD       HYP  10  20.627  -7.676   0.152
   59    HOD  HYP  10           HOD2     HYP  10  18.941  -9.831  -1.219
   60    HG   HYP  10           HG       HYP  10  18.477  -8.755   0.569
   61    H    THR  11           H        THR  11  18.336  -6.672   2.143
   62    HA   THR  11           HA       THR  11  16.280  -5.080   3.639
   63    HB   THR  11           HB       THR  11  15.531  -7.440   3.260
   64    HG1  THR  11           HG1      THR  11  14.782  -7.423   5.227
   65   1HG2  THR  11          2HG2      THR  11  17.797  -8.582   3.207
   66   2HG2  THR  11          1HG2      THR  11  17.972  -8.254   4.925
   67   3HG2  THR  11          3HG2      THR  11  16.706  -9.318   4.364
   68    H    SER  12           H        SER  12  18.760  -3.864   3.514
   69    HA   SER  12           HA       SER  12  20.699  -4.857   5.331
   70   1HB   SER  12          2HB       SER  12  21.465  -2.455   5.506
   71   2HB   SER  12          1HB       SER  12  21.116  -2.857   3.830
   72    HG   SER  12           HG       SER  12  19.829  -1.127   4.082
   73    H    TYR  13           H        TYR  13  17.933  -2.940   5.699
   74    HA   TYR  13           HA       TYR  13  16.485  -2.412   7.461
   75   1HB   TYR  13          2HB       TYR  13  17.930  -4.835   8.507
   76   2HB   TYR  13          1HB       TYR  13  17.596  -3.692   9.787
   77    HD1  TYR  13           HD1      TYR  13  15.989  -5.545   6.964
   78    HD2  TYR  13           HD2      TYR  13  15.399  -3.511  10.659
   79    HE1  TYR  13           HE1      TYR  13  13.646  -6.283   7.011
   80    HE2  TYR  13           HE2      TYR  13  13.067  -4.258  10.695
   81    HH   TYR  13           HH       TYR  13  11.345  -4.946   8.837
   82    H    ASN  14           H        ASN  14  19.119  -1.415   6.583
   83    HA   ASN  14           HA       ASN  14  19.637   0.303   8.918
   84   1HB   ASN  14          2HB       ASN  14  21.336  -1.504   8.682
   85   2HB   ASN  14          1HB       ASN  14  21.662  -0.971   7.048
   86   1HD2  ASN  14          2HD2      ASN  14  24.316   0.862   8.330
   87   2HD2  ASN  14          1HD2      ASN  14  23.823  -0.433   7.359
   88    H    CYS  15           H        CYS  15  18.163   0.507   6.290
   89    HA   CYS  15           HA       CYS  15  19.457   3.016   5.284
   90   1HB   CYS  15          2HB       CYS  15  17.678   1.098   3.696
   91   2HB   CYS  15          1HB       CYS  15  18.295   2.625   3.171
   92    H    CYS  16           H        CYS  16  18.319   4.780   5.780
   93    HA   CYS  16           HA       CYS  16  15.559   4.487   6.807
   94   1HB   CYS  16          2HB       CYS  16  17.422   6.756   6.449
   95   2HB   CYS  16          1HB       CYS  16  15.742   7.182   6.572
   96    H    ARG  17           H        ARG  17  15.946   3.791   4.051
   97    HA   ARG  17           HA       ARG  17  13.583   5.168   2.900
   98   1HB   ARG  17          2HB       ARG  17  16.303   5.093   1.554
   99   2HB   ARG  17          1HB       ARG  17  14.827   5.261   0.610
  100   1HG   ARG  17          2HG       ARG  17  15.810   7.185   2.749
  101   2HG   ARG  17          1HG       ARG  17  15.764   7.452   1.015
  102   1HD   ARG  17          2HD       ARG  17  13.358   7.266   2.866
  103   2HD   ARG  17          1HD       ARG  17  13.908   8.638   1.930
  104    HE   ARG  17           HE       ARG  17  13.367   7.207  -0.141
  105   1HH1  ARG  17          2HH1      ARG  17  12.473   4.797   0.993
  106   2HH1  ARG  17          1HH1      ARG  17  10.780   4.975   1.242
  107   1HH2  ARG  17          1HH2      ARG  17  11.034   8.482   0.939
  108   2HH2  ARG  17          2HH2      ARG  17   9.897   7.199   1.184
  109    H    SER  18           H        SER  18  15.906   2.626   2.611
  110    HA   SER  18           HA       SER  18  14.909   0.289   2.599
  111   1HB   SER  18          2HB       SER  18  13.773   1.484  -0.017
  112   2HB   SER  18          1HB       SER  18  14.002  -0.258   0.158
  113    HG   SER  18           HG       SER  18  12.319   1.471   1.493
  114    H    CYS  19           H        CYS  19  15.786  -1.130   0.537
  115    HA   CYS  19           HA       CYS  19  18.523  -0.073   0.060
  116   1HB   CYS  19          2HB       CYS  19  18.372  -2.258   1.224
  117   2HB   CYS  19          1HB       CYS  19  17.475  -2.898  -0.127
  118    H    ASN  20           H        ASN  20  19.390  -0.651  -2.133
  119    HA   ASN  20           HA       ASN  20  17.347  -0.582  -4.257
  120   1HB   ASN  20          2HB       ASN  20  18.731   1.504  -3.884
  121   2HB   ASN  20          1HB       ASN  20  20.099   0.526  -4.391
  122   1HD2  ASN  20          2HD2      ASN  20  17.117   1.336  -6.978
  123   2HD2  ASN  20          1HD2      ASN  20  16.919   1.678  -5.335
  124    HA   HYP  21           HA       HYP  21  19.387  -4.625  -4.522
  125   1HB   HYP  21          1HB       HYP  21  17.351  -5.774  -4.390
  126   2HB   HYP  21          2HB       HYP  21  17.289  -5.637  -6.149
  127   1HD   HYP  21          1HD       HYP  21  16.788  -3.487  -3.067
  128   2HD   HYP  21          2HD       HYP  21  16.244  -2.144  -4.092
  129    HOD  HYP  21           HOD2     HYP  21  14.491  -4.862  -5.097
  130    HG   HYP  21           HG       HYP  21  15.934  -3.576  -6.030
  131    H    TYR  22           H        TYR  22  19.233  -2.100  -6.664
  132    HA   TYR  22           HA       TYR  22  20.579  -3.843  -8.617
  133   1HB   TYR  22          2HB       TYR  22  18.876  -1.335  -9.220
  134   2HB   TYR  22          1HB       TYR  22  19.710  -2.254 -10.460
  135    HD1  TYR  22           HD1      TYR  22  19.178  -5.034  -9.913
  136    HD2  TYR  22           HD2      TYR  22  16.536  -1.727  -9.407
  137    HE1  TYR  22           HE1      TYR  22  17.263  -6.522 -10.151
  138    HE2  TYR  22           HE2      TYR  22  14.623  -3.238  -9.646
  139    HH   TYR  22           HH       TYR  22  14.513  -6.133  -9.165
  140    H    THR  23           H        THR  23  21.172  -1.695  -6.531
  141    HA   THR  23           HA       THR  23  23.671  -0.866  -7.951
  142    HB   THR  23           HB       THR  23  23.424   1.378  -6.764
  143    HG1  THR  23           HG1      THR  23  20.800   0.956  -6.264
  144   1HG2  THR  23          3HG2      THR  23  20.897   0.672  -8.372
  145   2HG2  THR  23          2HG2      THR  23  21.524   2.289  -8.085
  146   3HG2  THR  23          1HG2      THR  23  22.409   1.166  -9.100
  147    H    LYS  24           H        LYS  24  21.736  -1.467  -5.191
  148    HA   LYS  24           HA       LYS  24  22.088  -2.638  -3.265
  149   1HB   LYS  24          2HB       LYS  24  25.129  -2.452  -3.528
  150   2HB   LYS  24          1HB       LYS  24  24.214  -3.623  -2.644
  151   1HG   LYS  24          2HG       LYS  24  23.527  -4.926  -4.471
  152   2HG   LYS  24          1HG       LYS  24  23.911  -3.708  -5.663
  153   1HD   LYS  24          2HD       LYS  24  26.343  -3.994  -5.166
  154   2HD   LYS  24          1HD       LYS  24  25.950  -5.277  -4.028
  155   1HE   LYS  24          2HE       LYS  24  24.915  -6.615  -5.839
  156   2HE   LYS  24          1HE       LYS  24  25.159  -5.311  -6.986
  157   1HZ   LYS  24          3HZ       LYS  24  27.636  -5.910  -5.803
  158   2HZ   LYS  24          2HZ       LYS  24  26.922  -7.364  -6.307
  159   3HZ   LYS  24          1HZ       LYS  24  27.164  -6.108  -7.420
  160    H    ARG  25           H        ARG  25  21.853  -0.014  -3.835
  161    HA   ARG  25           HA       ARG  25  23.421   1.442  -1.744
  162   1HB   ARG  25          2HB       ARG  25  21.985   2.641  -4.073
  163   2HB   ARG  25          1HB       ARG  25  23.058   3.323  -2.876
  164   1HG   ARG  25          2HG       ARG  25  24.994   2.101  -3.676
  165   2HG   ARG  25          1HG       ARG  25  24.039   1.162  -4.785
  166   1HD   ARG  25          2HD       ARG  25  23.468   3.448  -5.945
  167   2HD   ARG  25          1HD       ARG  25  24.784   4.125  -4.997
  168    HE   ARG  25           HE       ARG  25  25.146   1.868  -6.955
  169   1HH1  ARG  25          1HH2      ARG  25  26.776   3.367  -4.654
  170   2HH1  ARG  25          2HH2      ARG  25  28.106   3.961  -5.589
  171   1HH2  ARG  25          2HH1      ARG  25  26.384   3.047  -8.558
  172   2HH2  ARG  25          1HH1      ARG  25  27.868   3.751  -8.012
  173    H    CYS  26           H        CYS  26  21.974   2.853  -0.440
  174    HA   CYS  26           HA       CYS  26  19.523   1.506   0.159
  175   1HB   CYS  26          2HB       CYS  26  20.815   4.083   0.745
  176   2HB   CYS  26          1HB       CYS  26  19.241   3.752   1.529
  177    H    TYR  27           H        TYR  27  17.405   2.198  -0.591
  178    HA   TYR  27           HA       TYR  27  17.302   3.087  -3.297
  179   1HB   TYR  27          2HB       TYR  27  15.468   1.892  -1.559
  180   2HB   TYR  27          1HB       TYR  27  14.780   3.502  -1.737
  181    HD1  TYR  27           HD1      TYR  27  15.073   4.371  -4.375
  182    HD2  TYR  27           HD2      TYR  27  14.679   0.329  -3.088
  183    HE1  TYR  27           HE1      TYR  27  14.266   3.726  -6.591
  184    HE2  TYR  27           HE2      TYR  27  13.888  -0.308  -5.282
  185    HH   TYR  27           HH       TYR  27  12.754   0.833  -7.231
  186   1HN   NH2  28          1HT       TYR  27  16.637   4.926  -0.333
  187   2HN   NH2  28          2HT       TYR  27  16.721   6.446  -1.099
   
  No H/Q in entry =         187
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1  21.476   5.273  10.761
    2   2H    CYS   1          3H        CYS   1  19.907   4.927  11.316
    3   3H    CYS   1          2H        CYS   1  21.097   3.707  11.306
    4    HA   CYS   1           HA       CYS   1  20.565   3.131   9.273
    5   1HB   CYS   1          2HB       CYS   1  18.577   4.052   8.230
    6   2HB   CYS   1          1HB       CYS   1  18.289   4.061   9.948
    7    H    LYS   2           H        LYS   2  20.217   4.113   6.990
    8    HA   LYS   2           HA       LYS   2  22.156   6.292   6.482
    9   1HB   LYS   2          2HB       LYS   2  22.075   3.473   5.441
   10   2HB   LYS   2          1HB       LYS   2  22.771   4.714   4.468
   11   1HG   LYS   2          2HG       LYS   2  24.071   5.359   6.693
   12   2HG   LYS   2          1HG       LYS   2  23.409   3.910   7.392
   13   1HD   LYS   2          2HD       LYS   2  24.592   2.549   5.595
   14   2HD   LYS   2          1HD       LYS   2  25.317   4.045   5.030
   15   1HE   LYS   2          2HE       LYS   2  26.423   4.431   7.165
   16   2HE   LYS   2          1HE       LYS   2  25.621   3.065   7.915
   17   1HZ   LYS   2          1HZ       LYS   2  26.953   2.188   5.581
   18   2HZ   LYS   2          3HZ       LYS   2  28.025   3.097   6.526
   19   3HZ   LYS   2          2HZ       LYS   2  27.238   1.759   7.196
   20    H    SER   3           H        SER   3  22.002   7.437   4.511
   21    HA   SER   3           HA       SER   3  19.311   7.534   3.452
   22   1HB   SER   3          2HB       SER   3  21.776   9.329   2.992
   23   2HB   SER   3          1HB       SER   3  20.131   9.740   2.504
   24    HG   SER   3           HG       SER   3  21.261   9.946   4.947
   25    HA   HYP   4           HA       HYP   4  20.037   5.436  -0.377
   26   1HB   HYP   4          1HB       HYP   4  18.586   6.532  -1.835
   27   2HB   HYP   4          2HB       HYP   4  19.765   7.788  -2.092
   28   1HD   HYP   4          1HD       HYP   4  17.894   6.935   1.291
   29   2HD   HYP   4          2HD       HYP   4  18.621   8.488   1.732
   30    HOD  HYP   4           HOD2     HYP   4  16.671   8.526   0.026
   31    HG   HYP   4           HG       HYP   4  18.796   9.263  -0.518
   32    H    GLY   5           H        GLY   5  21.459   4.898  -1.830
   33   1HA   GLY   5          2HA       GLY   5  23.511   5.162  -3.092
   34   2HA   GLY   5          1HA       GLY   5  23.823   6.687  -2.249
   35    H    SER   6           H        SER   6  23.071   5.279   0.269
   36    HA   SER   6           HA       SER   6  25.733   4.484   1.109
   37   1HB   SER   6          2HB       SER   6  22.945   4.017   2.290
   38   2HB   SER   6          1HB       SER   6  24.422   3.510   3.128
   39    HG   SER   6           HG       SER   6  23.427   6.058   2.566
   40    H    SER   7           H        SER   7  26.270   2.126   1.353
   41    HA   SER   7           HA       SER   7  24.885   0.618  -0.760
   42   1HB   SER   7          2HB       SER   7  27.454   0.660  -0.687
   43   2HB   SER   7          1HB       SER   7  27.387  -0.249   0.831
   44    HG   SER   7           HG       SER   7  26.954  -2.009  -0.285
   45    H    CYS   8           H        CYS   8  23.471  -0.935  -0.396
   46    HA   CYS   8           HA       CYS   8  23.245  -2.051   2.389
   47   1HB   CYS   8          2HB       CYS   8  20.734  -2.114   1.843
   48   2HB   CYS   8          1HB       CYS   8  21.416  -0.556   2.006
   49    H    SER   9           H        SER   9  21.331  -3.668   2.131
   50    HA   SER   9           HA       SER   9  21.831  -5.899   0.275
   51   1HB   SER   9          2HB       SER   9  21.161  -6.265   3.241
   52   2HB   SER   9          1HB       SER   9  21.927  -7.434   2.162
   53    HG   SER   9           HG       SER   9  23.814  -6.326   2.242
   54    HA   HYP  10           HA       HYP  10  17.708  -5.103  -0.618
   55   1HB   HYP  10          1HB       HYP  10  17.120  -7.130  -1.554
   56   2HB   HYP  10          2HB       HYP  10  16.473  -7.594   0.023
   57   1HD   HYP  10          1HD       HYP  10  20.048  -7.051  -1.363
   58   2HD   HYP  10          2HD       HYP  10  20.604  -7.761   0.174
   59    HOD  HYP  10           HOD2     HYP  10  18.182  -9.790  -1.311
   60    HG   HYP  10           HG       HYP  10  18.475  -8.830   0.602
   61    H    THR  11           H        THR  11  18.329  -6.680   2.309
   62    HA   THR  11           HA       THR  11  16.298  -4.988   3.718
   63    HB   THR  11           HB       THR  11  15.854  -7.070   5.209
   64    HG1  THR  11           HG1      THR  11  17.426  -8.436   4.836
   65   1HG2  THR  11          3HG2      THR  11  15.462  -7.621   2.207
   66   2HG2  THR  11          2HG2      THR  11  14.539  -8.336   3.517
   67   3HG2  THR  11          1HG2      THR  11  14.350  -6.629   3.134
   68    H    SER  12           H        SER  12  19.249  -4.279   3.726
   69    HA   SER  12           HA       SER  12  20.500  -5.363   6.007
   70   1HB   SER  12          2HB       SER  12  20.745  -2.478   5.019
   71   2HB   SER  12          1HB       SER  12  22.004  -3.469   5.792
   72    HG   SER  12           HG       SER  12  22.254  -4.570   3.872
   73    H    TYR  13           H        TYR  13  17.966  -3.034   5.931
   74    HA   TYR  13           HA       TYR  13  16.572  -2.133   7.539
   75   1HB   TYR  13          2HB       TYR  13  17.999  -4.263   9.216
   76   2HB   TYR  13          1HB       TYR  13  17.200  -2.968  10.062
   77    HD1  TYR  13           HD1      TYR  13  14.753  -2.416   9.303
   78    HD2  TYR  13           HD2      TYR  13  16.701  -6.118   8.502
   79    HE1  TYR  13           HE1      TYR  13  12.572  -3.501   9.009
   80    HE2  TYR  13           HE2      TYR  13  14.511  -7.197   8.210
   81    HH   TYR  13           HH       TYR  13  11.711  -6.009   9.269
   82    H    ASN  14           H        ASN  14  19.298  -1.434   6.708
   83    HA   ASN  14           HA       ASN  14  19.840   0.470   8.871
   84   1HB   ASN  14          2HB       ASN  14  21.699  -1.138   8.541
   85   2HB   ASN  14          1HB       ASN  14  21.804  -0.699   6.845
   86   1HD2  ASN  14          2HD2      ASN  14  24.006   1.929   7.550
   87   2HD2  ASN  14          1HD2      ASN  14  23.463   0.753   6.460
   88    H    CYS  15           H        CYS  15  18.283   0.516   6.178
   89    HA   CYS  15           HA       CYS  15  19.444   3.080   5.165
   90   1HB   CYS  15          2HB       CYS  15  17.656   1.122   3.612
   91   2HB   CYS  15          1HB       CYS  15  18.272   2.647   3.087
   92    H    CYS  16           H        CYS  16  18.331   4.815   5.732
   93    HA   CYS  16           HA       CYS  16  15.597   4.479   6.814
   94   1HB   CYS  16          2HB       CYS  16  17.393   6.788   6.393
   95   2HB   CYS  16          1HB       CYS  16  15.706   7.173   6.548
   96    H    ARG  17           H        ARG  17  15.951   3.763   4.043
   97    HA   ARG  17           HA       ARG  17  13.532   5.072   2.950
   98   1HB   ARG  17          2HB       ARG  17  16.284   5.190   1.694
   99   2HB   ARG  17          1HB       ARG  17  14.919   4.964   0.616
  100   1HG   ARG  17          2HG       ARG  17  15.057   7.240   2.662
  101   2HG   ARG  17          1HG       ARG  17  15.563   7.408   0.990
  102   1HD   ARG  17          2HD       ARG  17  13.288   6.638   0.240
  103   2HD   ARG  17          1HD       ARG  17  12.736   6.694   1.914
  104    HE   ARG  17           HE       ARG  17  13.281   9.138   1.903
  105   1HH1  ARG  17          2HH1      ARG  17  11.767   7.553  -0.577
  106   2HH1  ARG  17          1HH1      ARG  17  11.801   8.846  -1.720
  107   1HH2  ARG  17          1HH2      ARG  17  13.860  10.765   0.387
  108   2HH2  ARG  17          2HH2      ARG  17  13.035  10.783  -1.134
  109    H    SER  18           H        SER  18  15.958   2.631   2.476
  110    HA   SER  18           HA       SER  18  14.994   0.242   2.628
  111   1HB   SER  18          2HB       SER  18  13.914  -0.354   0.285
  112   2HB   SER  18          1HB       SER  18  12.863   0.650   1.277
  113    HG   SER  18           HG       SER  18  13.192   2.253   0.053
  114    H    CYS  19           H        CYS  19  15.809  -1.188   0.457
  115    HA   CYS  19           HA       CYS  19  18.536  -0.122  -0.064
  116   1HB   CYS  19          2HB       CYS  19  18.319  -2.393   0.981
  117   2HB   CYS  19          1HB       CYS  19  17.453  -2.925  -0.437
  118    H    ASN  20           H        ASN  20  19.403  -0.668  -2.279
  119    HA   ASN  20           HA       ASN  20  17.415  -0.329  -4.450
  120   1HB   ASN  20          2HB       ASN  20  18.813   1.629  -4.006
  121   2HB   ASN  20          1HB       ASN  20  20.227   0.665  -4.300
  122   1HD2  ASN  20          2HD2      ASN  20  18.348   0.501  -7.722
  123   2HD2  ASN  20          1HD2      ASN  20  17.880  -0.499  -6.447
  124    HA   HYP  21           HA       HYP  21  19.286  -4.461  -4.623
  125   1HB   HYP  21          1HB       HYP  21  17.191  -5.490  -4.485
  126   2HB   HYP  21          2HB       HYP  21  17.257  -5.531  -6.250
  127   1HD   HYP  21          1HD       HYP  21  16.569  -3.094  -3.436
  128   2HD   HYP  21          2HD       HYP  21  16.204  -1.823  -4.621
  129    HOD  HYP  21           HOD2     HYP  21  14.837  -5.160  -5.297
  130    HG   HYP  21           HG       HYP  21  16.002  -3.409  -6.447
  131    H    TYR  22           H        TYR  22  19.264  -2.019  -6.817
  132    HA   TYR  22           HA       TYR  22  20.636  -3.837  -8.706
  133   1HB   TYR  22          2HB       TYR  22  18.964  -1.328  -9.432
  134   2HB   TYR  22          1HB       TYR  22  19.805  -2.305 -10.621
  135    HD1  TYR  22           HD1      TYR  22  19.241  -5.054  -9.912
  136    HD2  TYR  22           HD2      TYR  22  16.612  -1.704  -9.697
  137    HE1  TYR  22           HE1      TYR  22  17.327  -6.538 -10.114
  138    HE2  TYR  22           HE2      TYR  22  14.696  -3.218  -9.904
  139    HH   TYR  22           HH       TYR  22  14.531  -6.055  -9.243
  140    H    THR  23           H        THR  23  21.270  -1.837  -6.636
  141    HA   THR  23           HA       THR  23  23.793  -1.001  -7.993
  142    HB   THR  23           HB       THR  23  23.618   1.238  -6.766
  143    HG1  THR  23           HG1      THR  23  21.257   1.460  -6.061
  144   1HG2  THR  23          3HG2      THR  23  22.589   1.084  -9.110
  145   2HG2  THR  23          2HG2      THR  23  21.059   0.664  -8.362
  146   3HG2  THR  23          1HG2      THR  23  21.770   2.244  -8.080
  147    H    LYS  24           H        LYS  24  21.767  -1.417  -5.297
  148    HA   LYS  24           HA       LYS  24  21.948  -2.653  -3.329
  149   1HB   LYS  24          2HB       LYS  24  25.012  -2.605  -3.539
  150   2HB   LYS  24          1HB       LYS  24  24.041  -3.640  -2.538
  151   1HG   LYS  24          2HG       LYS  24  23.209  -4.927  -4.456
  152   2HG   LYS  24          1HG       LYS  24  24.073  -3.900  -5.579
  153   1HD   LYS  24          2HD       LYS  24  26.213  -4.569  -4.167
  154   2HD   LYS  24          1HD       LYS  24  25.210  -5.875  -3.566
  155   1HE   LYS  24          2HE       LYS  24  26.454  -6.656  -5.545
  156   2HE   LYS  24          1HE       LYS  24  24.739  -6.588  -5.929
  157   1HZ   LYS  24          1HZ       LYS  24  25.873  -4.065  -6.420
  158   2HZ   LYS  24          3HZ       LYS  24  26.837  -5.235  -7.187
  159   3HZ   LYS  24          2HZ       LYS  24  25.174  -5.147  -7.524
  160    H    ARG  25           H        ARG  25  21.701  -0.090  -3.824
  161    HA   ARG  25           HA       ARG  25  23.336   1.406  -1.790
  162   1HB   ARG  25          2HB       ARG  25  21.739   2.586  -4.018
  163   2HB   ARG  25          1HB       ARG  25  22.803   3.324  -2.856
  164   1HG   ARG  25          2HG       ARG  25  23.896   1.185  -4.679
  165   2HG   ARG  25          1HG       ARG  25  23.760   2.836  -5.258
  166   1HD   ARG  25          2HD       ARG  25  25.342   3.629  -3.726
  167   2HD   ARG  25          1HD       ARG  25  25.154   2.277  -2.623
  168    HE   ARG  25           HE       ARG  25  26.400   2.041  -5.343
  169   1HH1  ARG  25          2HH1      ARG  25  25.309   0.029  -3.159
  170   2HH1  ARG  25          1HH1      ARG  25  26.762  -0.638  -2.547
  171   1HH2  ARG  25          1HH2      ARG  25  28.608   1.869  -4.289
  172   2HH2  ARG  25          2HH2      ARG  25  28.806   0.453  -3.299
  173    H    CYS  26           H        CYS  26  21.975   2.849  -0.484
  174    HA   CYS  26           HA       CYS  26  19.493   1.567   0.225
  175   1HB   CYS  26          2HB       CYS  26  20.894   4.136   0.773
  176   2HB   CYS  26          1HB       CYS  26  19.308   3.834   1.571
  177    H    TYR  27           H        TYR  27  17.469   2.154  -0.678
  178    HA   TYR  27           HA       TYR  27  17.363   3.082  -3.341
  179   1HB   TYR  27          2HB       TYR  27  15.571   1.848  -1.649
  180   2HB   TYR  27          1HB       TYR  27  14.855   3.449  -1.724
  181    HD1  TYR  27           HD1      TYR  27  15.231   4.367  -4.447
  182    HD2  TYR  27           HD2      TYR  27  14.527   0.407  -3.063
  183    HE1  TYR  27           HE1      TYR  27  14.321   3.751  -6.624
  184    HE2  TYR  27           HE2      TYR  27  13.638  -0.218  -5.211
  185    HH   TYR  27           HH       TYR  27  13.065   0.504  -7.275
  186   1HN   NH2  28          1HT       TYR  27  16.640   4.867  -0.370
  187   2HN   NH2  28          2HT       TYR  27  16.713   6.404  -1.104
   
  No H/Q in entry =         187
  Start of MODEL    6
    1   1H    CYS   1          3H        CYS   1  20.981   6.027  10.429
    2   2H    CYS   1          2H        CYS   1  19.382   5.769  10.941
    3   3H    CYS   1          1H        CYS   1  20.576   4.588  11.242
    4    HA   CYS   1           HA       CYS   1  20.192   3.623   9.315
    5   1HB   CYS   1          2HB       CYS   1  18.261   4.419   7.959
    6   2HB   CYS   1          1HB       CYS   1  17.870   4.355   9.652
    7    H    LYS   2           H        LYS   2  20.051   4.101   6.821
    8    HA   LYS   2           HA       LYS   2  22.188   6.097   6.234
    9   1HB   LYS   2          2HB       LYS   2  21.561   3.491   4.818
   10   2HB   LYS   2          1HB       LYS   2  22.703   4.637   4.298
   11   1HG   LYS   2          2HG       LYS   2  22.639   3.183   6.985
   12   2HG   LYS   2          1HG       LYS   2  23.635   2.734   5.618
   13   1HD   LYS   2          2HD       LYS   2  24.889   4.904   5.856
   14   2HD   LYS   2          1HD       LYS   2  23.875   5.311   7.240
   15   1HE   LYS   2          2HE       LYS   2  24.630   3.263   8.425
   16   2HE   LYS   2          1HE       LYS   2  25.679   2.861   7.063
   17   1HZ   LYS   2          3HZ       LYS   2  26.171   5.507   7.806
   18   2HZ   LYS   2          2HZ       LYS   2  26.195   4.553   9.210
   19   3HZ   LYS   2          1HZ       LYS   2  27.211   4.168   7.908
   20    H    SER   3           H        SER   3  22.292   7.189   4.301
   21    HA   SER   3           HA       SER   3  19.728   7.862   3.176
   22   1HB   SER   3          2HB       SER   3  21.370   9.655   2.095
   23   2HB   SER   3          1HB       SER   3  21.170   9.751   3.854
   24    HG   SER   3           HG       SER   3  23.104   8.076   2.591
   25    HA   HYP   4           HA       HYP   4  20.401   5.641  -0.612
   26   1HB   HYP   4          1HB       HYP   4  19.006   6.860  -2.033
   27   2HB   HYP   4          2HB       HYP   4  20.327   7.930  -2.397
   28   1HD   HYP   4          1HD       HYP   4  18.286   7.524   0.984
   29   2HD   HYP   4          2HD       HYP   4  19.282   8.926   1.422
   30    HOD  HYP   4           HOD2     HYP   4  17.340   9.051  -0.259
   31    HG   HYP   4           HG       HYP   4  19.643   9.611  -0.844
   32    H    GLY   5           H        GLY   5  22.005   4.992  -1.775
   33   1HA   GLY   5          2HA       GLY   5  24.065   5.216  -2.941
   34   2HA   GLY   5          1HA       GLY   5  24.391   6.744  -2.097
   35    H    SER   6           H        SER   6  23.371   5.248   0.390
   36    HA   SER   6           HA       SER   6  25.996   4.317   1.263
   37   1HB   SER   6          2HB       SER   6  23.177   3.905   2.406
   38   2HB   SER   6          1HB       SER   6  24.663   3.519   3.296
   39    HG   SER   6           HG       SER   6  24.752   5.588   3.771
   40    H    SER   7           H        SER   7  26.318   1.955   1.432
   41    HA   SER   7           HA       SER   7  24.845   0.577  -0.697
   42   1HB   SER   7          2HB       SER   7  27.448   0.402  -0.547
   43   2HB   SER   7          1HB       SER   7  27.202  -0.610   0.877
   44    HG   SER   7           HG       SER   7  25.656  -1.237  -1.358
   45    H    CYS   8           H        CYS   8  23.411  -0.933  -0.406
   46    HA   CYS   8           HA       CYS   8  23.004  -1.935   2.394
   47   1HB   CYS   8          2HB       CYS   8  20.584  -2.200   1.625
   48   2HB   CYS   8          1HB       CYS   8  21.135  -0.590   1.737
   49    H    SER   9           H        SER   9  21.321  -3.666   2.178
   50    HA   SER   9           HA       SER   9  22.079  -6.060   0.613
   51   1HB   SER   9          2HB       SER   9  23.089  -5.975   3.093
   52   2HB   SER   9          1HB       SER   9  21.403  -5.958   3.618
   53    HG   SER   9           HG       SER   9  21.627  -8.067   3.454
   54    HA   HYP  10           HA       HYP  10  18.020  -5.591  -0.625
   55   1HB   HYP  10          1HB       HYP  10  17.719  -7.793  -1.366
   56   2HB   HYP  10          2HB       HYP  10  16.724  -8.025   0.074
   57   1HD   HYP  10          1HD       HYP  10  20.398  -7.706  -0.851
   58   2HD   HYP  10          2HD       HYP  10  20.864  -8.080   0.823
   59    HOD  HYP  10           HOD2     HYP  10  18.134 -10.002  -0.846
   60    HG   HYP  10           HG       HYP  10  18.628  -8.947   1.357
   61    H    THR  11           H        THR  11  18.459  -6.924   2.393
   62    HA   THR  11           HA       THR  11  16.464  -5.064   3.640
   63    HB   THR  11           HB       THR  11  15.414  -7.320   3.326
   64    HG1  THR  11           HG1      THR  11  14.601  -6.552   5.121
   65   1HG2  THR  11          2HG2      THR  11  17.592  -8.337   5.229
   66   2HG2  THR  11          1HG2      THR  11  16.225  -9.258   4.643
   67   3HG2  THR  11          3HG2      THR  11  17.486  -8.771   3.528
   68    H    SER  12           H        SER  12  19.050  -4.296   3.566
   69    HA   SER  12           HA       SER  12  20.776  -5.299   5.587
   70   1HB   SER  12          2HB       SER  12  21.558  -3.525   3.981
   71   2HB   SER  12          1HB       SER  12  20.473  -2.353   4.730
   72    HG   SER  12           HG       SER  12  21.838  -3.521   6.702
   73    H    TYR  13           H        TYR  13  18.057  -3.278   5.763
   74    HA   TYR  13           HA       TYR  13  16.666  -2.577   7.462
   75   1HB   TYR  13          2HB       TYR  13  18.029  -4.967   8.562
   76   2HB   TYR  13          1HB       TYR  13  17.948  -3.749   9.814
   77    HD1  TYR  13           HD1      TYR  13  15.658  -2.704  10.332
   78    HD2  TYR  13           HD2      TYR  13  16.103  -6.173   7.889
   79    HE1  TYR  13           HE1      TYR  13  13.287  -3.258  10.668
   80    HE2  TYR  13           HE2      TYR  13  13.750  -6.714   8.231
   81    HH   TYR  13           HH       TYR  13  11.897  -6.252   9.591
   82    H    ASN  14           H        ASN  14  19.116  -1.556   6.441
   83    HA   ASN  14           HA       ASN  14  19.785   0.279   8.638
   84   1HB   ASN  14          2HB       ASN  14  21.608  -1.339   8.204
   85   2HB   ASN  14          1HB       ASN  14  21.658  -0.844   6.525
   86   1HD2  ASN  14          2HD2      ASN  14  24.042   1.558   7.261
   87   2HD2  ASN  14          1HD2      ASN  14  23.451   0.398   6.165
   88    H    CYS  15           H        CYS  15  18.050   0.489   5.921
   89    HA   CYS  15           HA       CYS  15  19.352   3.047   5.066
   90   1HB   CYS  15          2HB       CYS  15  17.340   1.331   3.534
   91   2HB   CYS  15          1HB       CYS  15  18.095   2.793   3.003
   92    H    CYS  16           H        CYS  16  18.229   4.852   5.223
   93    HA   CYS  16           HA       CYS  16  16.121   5.059   7.141
   94   1HB   CYS  16          2HB       CYS  16  16.937   6.995   4.965
   95   2HB   CYS  16          1HB       CYS  16  15.937   7.407   6.327
   96    H    ARG  17           H        ARG  17  15.986   4.276   3.887
   97    HA   ARG  17           HA       ARG  17  13.001   4.512   3.876
   98   1HB   ARG  17          2HB       ARG  17  14.993   5.179   1.707
   99   2HB   ARG  17          1HB       ARG  17  13.312   4.839   1.313
  100   1HG   ARG  17          2HG       ARG  17  12.605   6.688   2.878
  101   2HG   ARG  17          1HG       ARG  17  14.291   7.025   3.214
  102   1HD   ARG  17          2HD       ARG  17  14.705   7.671   0.891
  103   2HD   ARG  17          1HD       ARG  17  13.115   7.113   0.392
  104    HE   ARG  17           HE       ARG  17  13.458   9.368   2.342
  105   1HH1  ARG  17          2HH1      ARG  17  10.788   8.871   2.093
  106   2HH1  ARG  17          1HH1      ARG  17  10.211   9.732   0.701
  107   1HH2  ARG  17          1HH2      ARG  17  13.538   9.997  -0.493
  108   2HH2  ARG  17          2HH2      ARG  17  11.905  10.409  -0.895
  109    H    SER  18           H        SER  18  15.613   2.864   2.120
  110    HA   SER  18           HA       SER  18  14.755   0.233   2.549
  111   1HB   SER  18          2HB       SER  18  13.702  -0.184   0.171
  112   2HB   SER  18          1HB       SER  18  12.670   0.726   1.277
  113    HG   SER  18           HG       SER  18  12.796   2.193  -0.260
  114    H    CYS  19           H        CYS  19  15.644  -1.207   0.533
  115    HA   CYS  19           HA       CYS  19  18.354  -0.133  -0.072
  116   1HB   CYS  19          2HB       CYS  19  18.298  -2.326   1.071
  117   2HB   CYS  19          1HB       CYS  19  17.251  -2.959  -0.165
  118    H    ASN  20           H        ASN  20  19.201  -0.379  -2.303
  119    HA   ASN  20           HA       ASN  20  17.096  -0.514  -4.371
  120   1HB   ASN  20          2HB       ASN  20  18.286   1.625  -4.051
  121   2HB   ASN  20          1HB       ASN  20  19.758   0.806  -4.541
  122   1HD2  ASN  20          2HD2      ASN  20  18.849   0.892  -7.847
  123   2HD2  ASN  20          1HD2      ASN  20  20.073   0.721  -6.681
  124    HA   HYP  21           HA       HYP  21  19.323  -4.430  -4.470
  125   1HB   HYP  21          1HB       HYP  21  17.374  -5.663  -4.339
  126   2HB   HYP  21          2HB       HYP  21  17.405  -5.684  -6.102
  127   1HD   HYP  21          1HD       HYP  21  16.558  -3.251  -3.278
  128   2HD   HYP  21          2HD       HYP  21  16.030  -2.091  -4.514
  129    HOD  HYP  21           HOD2     HYP  21  14.423  -4.834  -5.117
  130    HG   HYP  21           HG       HYP  21  15.878  -3.767  -6.239
  131    H    TYR  22           H        TYR  22  19.004  -2.060  -6.801
  132    HA   TYR  22           HA       TYR  22  20.517  -3.832  -8.651
  133   1HB   TYR  22          2HB       TYR  22  18.463  -1.624  -9.215
  134   2HB   TYR  22          1HB       TYR  22  19.757  -1.795 -10.383
  135    HD1  TYR  22           HD2      TYR  22  18.082  -4.662  -8.562
  136    HD2  TYR  22           HD1      TYR  22  18.531  -2.568 -12.252
  137    HE1  TYR  22           HE2      TYR  22  16.883  -6.427  -9.717
  138    HE2  TYR  22           HE1      TYR  22  17.318  -4.357 -13.397
  139    HH   TYR  22           HH       TYR  22  16.986  -7.036 -12.788
  140    H    THR  23           H        THR  23  21.095  -1.762  -6.586
  141    HA   THR  23           HA       THR  23  23.647  -0.960  -7.914
  142    HB   THR  23           HB       THR  23  23.466   1.277  -6.784
  143    HG1  THR  23           HG1      THR  23  21.970   1.397  -5.252
  144   1HG2  THR  23          1HG2      THR  23  20.966   0.646  -8.429
  145   2HG2  THR  23          3HG2      THR  23  21.599   2.258  -8.109
  146   3HG2  THR  23          2HG2      THR  23  22.510   1.118  -9.085
  147    H    LYS  24           H        LYS  24  21.563  -1.373  -5.229
  148    HA   LYS  24           HA       LYS  24  21.745  -2.506  -3.253
  149   1HB   LYS  24          2HB       LYS  24  24.794  -2.705  -3.569
  150   2HB   LYS  24          1HB       LYS  24  23.785  -3.613  -2.495
  151   1HG   LYS  24          2HG       LYS  24  22.709  -4.788  -4.486
  152   2HG   LYS  24          1HG       LYS  24  23.929  -4.029  -5.505
  153   1HD   LYS  24          2HD       LYS  24  25.731  -5.007  -4.039
  154   2HD   LYS  24          1HD       LYS  24  24.484  -5.804  -3.090
  155   1HE   LYS  24          2HE       LYS  24  23.765  -7.106  -5.081
  156   2HE   LYS  24          1HE       LYS  24  24.989  -6.296  -6.049
  157   1HZ   LYS  24          1HZ       LYS  24  26.230  -7.299  -3.752
  158   2HZ   LYS  24          3HZ       LYS  24  25.283  -8.547  -4.404
  159   3HZ   LYS  24          2HZ       LYS  24  26.456  -7.787  -5.362
  160    H    ARG  25           H        ARG  25  21.678   0.024  -3.785
  161    HA   ARG  25           HA       ARG  25  23.415   1.465  -1.788
  162   1HB   ARG  25          2HB       ARG  25  21.895   2.815  -3.971
  163   2HB   ARG  25          1HB       ARG  25  23.150   3.356  -2.897
  164   1HG   ARG  25          2HG       ARG  25  24.025   1.150  -4.678
  165   2HG   ARG  25          1HG       ARG  25  23.747   2.724  -5.446
  166   1HD   ARG  25          2HD       ARG  25  26.059   2.583  -4.831
  167   2HD   ARG  25          1HD       ARG  25  25.326   3.705  -3.702
  168    HE   ARG  25           HE       ARG  25  25.123   1.641  -2.156
  169   1HH1  ARG  25          2HH1      ARG  25  26.281  -0.266  -3.892
  170   2HH1  ARG  25          1HH1      ARG  25  27.971  -0.296  -3.496
  171   1HH2  ARG  25          1HH2      ARG  25  27.531   2.878  -1.907
  172   2HH2  ARG  25          2HH2      ARG  25  28.786   1.712  -2.255
  173    H    CYS  26           H        CYS  26  22.030   2.873  -0.453
  174    HA   CYS  26           HA       CYS  26  19.458   1.666   0.059
  175   1HB   CYS  26          2HB       CYS  26  20.949   4.118   0.819
  176   2HB   CYS  26          1HB       CYS  26  19.321   3.838   1.501
  177    H    TYR  27           H        TYR  27  17.477   2.534  -0.580
  178    HA   TYR  27           HA       TYR  27  17.234   3.495  -3.199
  179   1HB   TYR  27          2HB       TYR  27  15.388   3.059  -0.973
  180   2HB   TYR  27          1HB       TYR  27  14.934   4.532  -1.798
  181    HD1  TYR  27           HD2      TYR  27  14.760   4.466  -4.354
  182    HD2  TYR  27           HD1      TYR  27  14.883   0.942  -1.982
  183    HE1  TYR  27           HE2      TYR  27  13.796   3.185  -6.203
  184    HE2  TYR  27           HE1      TYR  27  13.925  -0.341  -3.825
  185    HH   TYR  27           HH       TYR  27  13.807  -0.143  -6.330
  186   1HN   NH2  28          1HT       TYR  27  16.847   5.594  -0.330
  187   2HN   NH2  28          2HT       TYR  27  17.253   7.018  -1.177
   
  No H/Q in entry =         187
  Start of MODEL    7
    1   1H    CYS   1          2H        CYS   1  21.134   6.248  10.488
    2   2H    CYS   1          1H        CYS   1  19.553   5.934  11.024
    3   3H    CYS   1          3H        CYS   1  20.796   4.803  11.324
    4    HA   CYS   1           HA       CYS   1  20.409   3.796   9.419
    5   1HB   CYS   1          2HB       CYS   1  18.465   4.543   8.049
    6   2HB   CYS   1          1HB       CYS   1  18.070   4.466   9.741
    7    H    LYS   2           H        LYS   2  20.332   4.178   6.943
    8    HA   LYS   2           HA       LYS   2  22.296   6.322   6.304
    9   1HB   LYS   2          2HB       LYS   2  22.037   3.472   5.323
   10   2HB   LYS   2          1HB       LYS   2  22.859   4.676   4.421
   11   1HG   LYS   2          2HG       LYS   2  24.044   5.152   6.818
   12   2HG   LYS   2          1HG       LYS   2  23.332   3.626   7.272
   13   1HD   LYS   2          2HD       LYS   2  24.577   2.606   5.189
   14   2HD   LYS   2          1HD       LYS   2  25.359   4.157   5.077
   15   1HE   LYS   2          2HE       LYS   2  26.709   2.408   6.321
   16   2HE   LYS   2          1HE       LYS   2  26.512   3.955   7.123
   17   1HZ   LYS   2          3HZ       LYS   2  24.378   2.342   7.995
   18   2HZ   LYS   2          2HZ       LYS   2  25.783   1.398   8.057
   19   3HZ   LYS   2          1HZ       LYS   2  25.712   2.884   8.847
   20    H    SER   3           H        SER   3  22.368   7.193   4.146
   21    HA   SER   3           HA       SER   3  19.724   7.601   3.120
   22   1HB   SER   3          2HB       SER   3  21.240   9.337   1.740
   23   2HB   SER   3          1HB       SER   3  20.973   9.634   3.469
   24    HG   SER   3           HG       SER   3  23.268   8.820   2.168
   25    HA   HYP   4           HA       HYP   4  20.136   5.399  -0.736
   26   1HB   HYP   4          1HB       HYP   4  18.717   6.701  -2.124
   27   2HB   HYP   4          2HB       HYP   4  20.015   7.834  -2.390
   28   1HD   HYP   4          1HD       HYP   4  18.105   7.126   1.037
   29   2HD   HYP   4          2HD       HYP   4  19.050   8.565   1.466
   30    HOD  HYP   4           HOD2     HYP   4  16.993   8.539  -0.072
   31    HG   HYP   4           HG       HYP   4  19.192   9.370  -0.768
   32    H    GLY   5           H        GLY   5  21.640   4.759  -2.027
   33   1HA   GLY   5          2HA       GLY   5  23.722   5.006  -3.211
   34   2HA   GLY   5          1HA       GLY   5  24.046   6.494  -2.323
   35    H    SER   6           H        SER   6  23.302   5.358   0.224
   36    HA   SER   6           HA       SER   6  25.837   4.373   1.130
   37   1HB   SER   6          2HB       SER   6  23.054   3.951   2.340
   38   2HB   SER   6          1HB       SER   6  24.582   3.679   3.183
   39    HG   SER   6           HG       SER   6  23.369   6.046   2.369
   40    H    SER   7           H        SER   7  26.390   2.089   1.386
   41    HA   SER   7           HA       SER   7  24.894   0.480  -0.505
   42   1HB   SER   7          2HB       SER   7  27.221  -0.659   1.146
   43   2HB   SER   7          1HB       SER   7  26.831  -0.970  -0.550
   44    HG   SER   7           HG       SER   7  28.062   0.677  -1.023
   45    H    CYS   8           H        CYS   8  23.496  -1.034  -0.178
   46    HA   CYS   8           HA       CYS   8  23.147  -2.035   2.626
   47   1HB   CYS   8          2HB       CYS   8  20.675  -2.226   1.838
   48   2HB   CYS   8          1HB       CYS   8  21.246  -0.655   2.163
   49    H    SER   9           H        SER   9  21.393  -3.695   2.461
   50    HA   SER   9           HA       SER   9  22.058  -6.043   0.759
   51   1HB   SER   9          2HB       SER   9  22.793  -6.148   3.388
   52   2HB   SER   9          1HB       SER   9  21.050  -6.151   3.664
   53    HG   SER   9           HG       SER   9  21.207  -8.243   3.254
   54    HA   HYP  10           HA       HYP  10  18.090  -4.970  -0.583
   55   1HB   HYP  10          1HB       HYP  10  17.710  -6.922  -1.769
   56   2HB   HYP  10          2HB       HYP  10  16.661  -7.401  -0.435
   57   1HD   HYP  10          1HD       HYP  10  20.441  -7.122  -1.098
   58   2HD   HYP  10          2HD       HYP  10  20.720  -7.866   0.501
   59    HOD  HYP  10           HOD2     HYP  10  18.855  -9.885  -1.126
   60    HG   HYP  10           HG       HYP  10  18.435  -8.741   0.611
   61    H    THR  11           H        THR  11  18.304  -6.989   2.091
   62    HA   THR  11           HA       THR  11  16.245  -5.454   3.628
   63    HB   THR  11           HB       THR  11  15.842  -7.674   4.859
   64    HG1  THR  11           HG1      THR  11  17.794  -8.517   4.539
   65   1HG2  THR  11          3HG2      THR  11  14.503  -7.186   2.673
   66   2HG2  THR  11          2HG2      THR  11  15.753  -8.076   1.813
   67   3HG2  THR  11          1HG2      THR  11  14.761  -8.894   3.005
   68    H    SER  12           H        SER  12  18.768  -4.324   3.740
   69    HA   SER  12           HA       SER  12  20.347  -5.607   5.846
   70   1HB   SER  12          2HB       SER  12  21.580  -4.128   4.340
   71   2HB   SER  12          1HB       SER  12  20.429  -2.807   4.561
   72    HG   SER  12           HG       SER  12  22.434  -3.754   6.277
   73    H    TYR  13           H        TYR  13  18.167  -2.982   5.609
   74    HA   TYR  13           HA       TYR  13  16.562  -2.090   7.060
   75   1HB   TYR  13          2HB       TYR  13  17.875  -3.733   9.327
   76   2HB   TYR  13          1HB       TYR  13  16.342  -2.893   9.390
   77    HD1  TYR  13           HD1      TYR  13  14.697  -3.537   7.306
   78    HD2  TYR  13           HD2      TYR  13  17.730  -6.047   8.923
   79    HE1  TYR  13           HE1      TYR  13  13.558  -5.505   6.398
   80    HE2  TYR  13           HE2      TYR  13  16.589  -8.009   8.014
   81    HH   TYR  13           HH       TYR  13  14.349  -8.678   7.276
   82    H    ASN  14           H        ASN  14  19.357  -1.567   6.404
   83    HA   ASN  14           HA       ASN  14  20.139   0.275   8.583
   84   1HB   ASN  14          2HB       ASN  14  21.837  -1.345   7.835
   85   2HB   ASN  14          1HB       ASN  14  21.683  -0.787   6.184
   86   1HD2  ASN  14          2HD2      ASN  14  24.162   1.626   6.669
   87   2HD2  ASN  14          1HD2      ASN  14  23.319   0.625   5.592
   88    H    CYS  15           H        CYS  15  18.369   0.449   5.770
   89    HA   CYS  15           HA       CYS  15  19.436   3.132   5.049
   90   1HB   CYS  15          2HB       CYS  15  17.460   1.353   3.558
   91   2HB   CYS  15          1HB       CYS  15  18.129   2.854   3.016
   92    H    CYS  16           H        CYS  16  18.374   4.909   5.464
   93    HA   CYS  16           HA       CYS  16  16.239   5.049   7.321
   94   1HB   CYS  16          2HB       CYS  16  16.848   7.051   5.121
   95   2HB   CYS  16          1HB       CYS  16  15.947   7.372   6.579
   96    H    ARG  17           H        ARG  17  16.078   4.235   4.060
   97    HA   ARG  17           HA       ARG  17  13.102   4.320   4.115
   98   1HB   ARG  17          2HB       ARG  17  15.034   5.198   2.007
   99   2HB   ARG  17          1HB       ARG  17  13.424   4.672   1.501
  100   1HG   ARG  17          2HG       ARG  17  12.630   6.352   3.412
  101   2HG   ARG  17          1HG       ARG  17  14.248   7.011   3.243
  102   1HD   ARG  17          2HD       ARG  17  13.872   7.543   0.896
  103   2HD   ARG  17          1HD       ARG  17  12.361   6.634   0.870
  104    HE   ARG  17           HE       ARG  17  11.517   8.354   2.567
  105   1HH1  ARG  17          2HH1      ARG  17  13.594  10.028   3.131
  106   2HH1  ARG  17          1HH1      ARG  17  13.604  11.279   1.935
  107   1HH2  ARG  17          1HH2      ARG  17  11.615   9.273  -0.191
  108   2HH2  ARG  17          2HH2      ARG  17  12.386  10.821  -0.104
  109    H    SER  18           H        SER  18  15.643   2.842   2.159
  110    HA   SER  18           HA       SER  18  14.860   0.151   2.508
  111   1HB   SER  18          2HB       SER  18  13.554   1.602   0.160
  112   2HB   SER  18          1HB       SER  18  14.055  -0.067  -0.093
  113    HG   SER  18           HG       SER  18  12.408   0.949   1.965
  114    H    CYS  19           H        CYS  19  15.773  -1.158   0.515
  115    HA   CYS  19           HA       CYS  19  18.464  -0.014  -0.044
  116   1HB   CYS  19          2HB       CYS  19  18.438  -2.178   1.142
  117   2HB   CYS  19          1HB       CYS  19  17.469  -2.862  -0.138
  118    H    ASN  20           H        ASN  20  19.293  -0.440  -2.265
  119    HA   ASN  20           HA       ASN  20  17.178  -0.511  -4.305
  120   1HB   ASN  20          2HB       ASN  20  18.376   1.604  -4.014
  121   2HB   ASN  20          1HB       ASN  20  19.834   0.751  -4.467
  122   1HD2  ASN  20          2HD2      ASN  20  16.853   1.289  -7.122
  123   2HD2  ASN  20          1HD2      ASN  20  16.607   1.659  -5.490
  124    HA   HYP  21           HA       HYP  21  19.257  -4.503  -4.793
  125   1HB   HYP  21          1HB       HYP  21  17.246  -5.645  -4.864
  126   2HB   HYP  21          2HB       HYP  21  17.274  -5.400  -6.610
  127   1HD   HYP  21          1HD       HYP  21  16.608  -3.432  -3.426
  128   2HD   HYP  21          2HD       HYP  21  16.087  -2.048  -4.400
  129    HOD  HYP  21           HOD2     HYP  21  14.692  -5.122  -5.570
  130    HG   HYP  21           HG       HYP  21  15.869  -3.354  -6.413
  131    H    TYR  22           H        TYR  22  19.185  -1.881  -6.873
  132    HA   TYR  22           HA       TYR  22  20.758  -3.515  -8.765
  133   1HB   TYR  22          2HB       TYR  22  18.654  -1.356  -9.325
  134   2HB   TYR  22          1HB       TYR  22  19.959  -1.531 -10.484
  135    HD1  TYR  22           HD1      TYR  22  17.512  -3.741  -8.625
  136    HD2  TYR  22           HD2      TYR  22  19.628  -3.006 -12.254
  137    HE1  TYR  22           HE1      TYR  22  16.388  -5.645  -9.681
  138    HE2  TYR  22           HE2      TYR  22  18.494  -4.904 -13.298
  139    HH   TYR  22           HH       TYR  22  17.325  -6.881 -12.754
  140    H    THR  23           H        THR  23  21.249  -1.704  -6.547
  141    HA   THR  23           HA       THR  23  23.731  -0.571  -7.733
  142    HB   THR  23           HB       THR  23  23.300   1.592  -6.388
  143    HG1  THR  23           HG1      THR  23  20.670   0.765  -6.151
  144   1HG2  THR  23          2HG2      THR  23  20.882   0.934  -8.179
  145   2HG2  THR  23          1HG2      THR  23  21.443   2.530  -7.709
  146   3HG2  THR  23          3HG2      THR  23  22.401   1.535  -8.800
  147    H    LYS  24           H        LYS  24  21.615  -1.315  -5.158
  148    HA   LYS  24           HA       LYS  24  21.803  -2.507  -3.193
  149   1HB   LYS  24          2HB       LYS  24  24.833  -2.634  -3.501
  150   2HB   LYS  24          1HB       LYS  24  23.821  -3.653  -2.528
  151   1HG   LYS  24          2HG       LYS  24  22.602  -4.383  -4.726
  152   2HG   LYS  24          1HG       LYS  24  24.044  -3.802  -5.539
  153   1HD   LYS  24          2HD       LYS  24  25.462  -5.362  -4.443
  154   2HD   LYS  24          1HD       LYS  24  24.236  -5.756  -3.236
  155   1HE   LYS  24          2HE       LYS  24  22.769  -6.662  -5.064
  156   2HE   LYS  24          1HE       LYS  24  24.069  -6.370  -6.214
  157   1HZ   LYS  24          1HZ       LYS  24  25.136  -7.734  -4.014
  158   2HZ   LYS  24          3HZ       LYS  24  23.713  -8.529  -4.489
  159   3HZ   LYS  24          2HZ       LYS  24  24.960  -8.273  -5.615
  160    H    ARG  25           H        ARG  25  21.813   0.065  -3.795
  161    HA   ARG  25           HA       ARG  25  23.348   1.332  -1.581
  162   1HB   ARG  25          2HB       ARG  25  22.192   2.591  -4.046
  163   2HB   ARG  25          1HB       ARG  25  23.101   3.249  -2.689
  164   1HG   ARG  25          2HG       ARG  25  25.089   1.910  -3.290
  165   2HG   ARG  25          1HG       ARG  25  24.272   1.215  -4.663
  166   1HD   ARG  25          2HD       ARG  25  23.938   3.812  -5.337
  167   2HD   ARG  25          1HD       ARG  25  25.275   4.045  -4.211
  168    HE   ARG  25           HE       ARG  25  26.394   2.201  -5.761
  169   1HH1  ARG  25          1HH2      ARG  25  24.821   2.222  -8.014
  170   2HH1  ARG  25          2HH2      ARG  25  25.311   3.596  -8.953
  171   1HH2  ARG  25          2HH1      ARG  25  26.789   5.079  -6.140
  172   2HH2  ARG  25          1HH1      ARG  25  26.446   5.344  -7.813
  173    H    CYS  26           H        CYS  26  21.973   2.738  -0.348
  174    HA   CYS  26           HA       CYS  26  19.410   1.650   0.106
  175   1HB   CYS  26          2HB       CYS  26  20.799   4.198   0.642
  176   2HB   CYS  26          1HB       CYS  26  19.208   3.903   1.386
  177    H    TYR  27           H        TYR  27  17.388   2.415  -0.633
  178    HA   TYR  27           HA       TYR  27  17.315   3.216  -3.378
  179   1HB   TYR  27          2HB       TYR  27  15.418   2.199  -1.540
  180   2HB   TYR  27          1HB       TYR  27  14.817   3.816  -1.866
  181    HD1  TYR  27           HD1      TYR  27  15.201   4.460  -4.546
  182    HD2  TYR  27           HD2      TYR  27  14.556   0.557  -2.956
  183    HE1  TYR  27           HE1      TYR  27  14.380   3.696  -6.717
  184    HE2  TYR  27           HE2      TYR  27  13.741  -0.200  -5.121
  185    HH   TYR  27           HH       TYR  27  13.362   0.378  -7.308
  186   1HN   NH2  28          1HT       TYR  27  16.693   5.124  -0.439
  187   2HN   NH2  28          2HT       TYR  27  16.918   6.625  -1.215
   
  No H/Q in entry =         187
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1  21.124   6.077  10.516
    2   2H    CYS   1          3H        CYS   1  19.527   5.777  11.007
    3   3H    CYS   1          2H        CYS   1  20.743   4.614  11.295
    4    HA   CYS   1           HA       CYS   1  20.383   3.677   9.347
    5   1HB   CYS   1          2HB       CYS   1  18.447   4.441   8.003
    6   2HB   CYS   1          1HB       CYS   1  18.054   4.384   9.694
    7    H    LYS   2           H        LYS   2  20.237   4.208   6.902
    8    HA   LYS   2           HA       LYS   2  22.247   6.323   6.296
    9   1HB   LYS   2          2HB       LYS   2  22.021   3.454   5.314
   10   2HB   LYS   2          1HB       LYS   2  22.853   4.650   4.409
   11   1HG   LYS   2          2HG       LYS   2  23.997   5.215   6.769
   12   2HG   LYS   2          1HG       LYS   2  23.242   3.759   7.336
   13   1HD   LYS   2          2HD       LYS   2  24.578   2.502   5.466
   14   2HD   LYS   2          1HD       LYS   2  25.407   4.021   5.215
   15   1HE   LYS   2          2HE       LYS   2  26.220   4.111   7.487
   16   2HE   LYS   2          1HE       LYS   2  25.278   2.725   7.990
   17   1HZ   LYS   2          2HZ       LYS   2  26.897   2.035   5.770
   18   2HZ   LYS   2          1HZ       LYS   2  27.844   2.757   6.974
   19   3HZ   LYS   2          3HZ       LYS   2  26.905   1.398   7.343
   20    H    SER   3           H        SER   3  22.315   7.245   4.157
   21    HA   SER   3           HA       SER   3  19.652   7.635   3.137
   22   1HB   SER   3          2HB       SER   3  21.118   9.395   1.758
   23   2HB   SER   3          1HB       SER   3  20.960   9.671   3.505
   24    HG   SER   3           HG       SER   3  23.110   8.691   2.020
   25    HA   HYP   4           HA       HYP   4  20.246   5.486  -0.720
   26   1HB   HYP   4          1HB       HYP   4  18.949   6.817  -2.178
   27   2HB   HYP   4          2HB       HYP   4  20.325   7.849  -2.425
   28   1HD   HYP   4          1HD       HYP   4  18.153   7.318   0.830
   29   2HD   HYP   4          2HD       HYP   4  19.121   8.684   1.399
   30    HOD  HYP   4           HOD2     HYP   4  17.319   9.020  -0.346
   31    HG   HYP   4           HG       HYP   4  19.647   9.472  -0.810
   32    H    GLY   5           H        GLY   5  21.711   4.974  -2.221
   33   1HA   GLY   5          2HA       GLY   5  23.866   5.065  -3.224
   34   2HA   GLY   5          1HA       GLY   5  24.221   6.532  -2.301
   35    H    SER   6           H        SER   6  23.381   5.380   0.208
   36    HA   SER   6           HA       SER   6  25.844   4.303   1.168
   37   1HB   SER   6          2HB       SER   6  23.011   3.866   2.265
   38   2HB   SER   6          1HB       SER   6  24.509   3.588   3.168
   39    HG   SER   6           HG       SER   6  23.249   5.942   2.518
   40    H    SER   7           H        SER   7  26.339   1.994   1.355
   41    HA   SER   7           HA       SER   7  24.829   0.495  -0.618
   42   1HB   SER   7          2HB       SER   7  26.938  -1.157   0.566
   43   2HB   SER   7          1HB       SER   7  26.934  -0.419  -1.037
   44    HG   SER   7           HG       SER   7  28.342   0.919  -0.247
   45    H    CYS   8           H        CYS   8  23.445  -1.010  -0.305
   46    HA   CYS   8           HA       CYS   8  23.103  -2.043   2.486
   47   1HB   CYS   8          2HB       CYS   8  20.654  -2.225   1.700
   48   2HB   CYS   8          1HB       CYS   8  21.274  -0.653   2.014
   49    H    SER   9           H        SER   9  21.432  -3.722   2.387
   50    HA   SER   9           HA       SER   9  22.058  -6.102   0.719
   51   1HB   SER   9          2HB       SER   9  22.995  -6.061   3.234
   52   2HB   SER   9          1HB       SER   9  21.294  -5.997   3.693
   53    HG   SER   9           HG       SER   9  21.411  -8.111   3.471
   54    HA   HYP  10           HA       HYP  10  17.993  -5.453  -0.511
   55   1HB   HYP  10          1HB       HYP  10  17.716  -7.634  -1.372
   56   2HB   HYP  10          2HB       HYP  10  16.659  -7.893   0.017
   57   1HD   HYP  10          1HD       HYP  10  20.341  -7.641  -0.818
   58   2HD   HYP  10          2HD       HYP  10  20.795  -8.066   0.848
   59    HOD  HYP  10           HOD2     HYP  10  18.121  -9.737  -1.059
   60    HG   HYP  10           HG       HYP  10  18.519  -8.864   1.361
   61    H    THR  11           H        THR  11  18.398  -7.000   2.398
   62    HA   THR  11           HA       THR  11  16.293  -5.333   3.795
   63    HB   THR  11           HB       THR  11  16.997  -8.231   4.582
   64    HG1  THR  11           HG1      THR  11  15.984  -8.486   2.655
   65   1HG2  THR  11          2HG2      THR  11  15.685  -6.725   6.237
   66   2HG2  THR  11          1HG2      THR  11  14.492  -6.496   4.968
   67   3HG2  THR  11          3HG2      THR  11  14.758  -8.093   5.640
   68    H    SER  12           H        SER  12  19.041  -4.378   3.636
   69    HA   SER  12           HA       SER  12  20.674  -5.271   5.773
   70   1HB   SER  12          2HB       SER  12  20.312  -2.443   4.638
   71   2HB   SER  12          1HB       SER  12  21.456  -2.800   5.939
   72    HG   SER  12           HG       SER  12  22.713  -3.572   4.473
   73    H    TYR  13           H        TYR  13  18.031  -3.106   5.781
   74    HA   TYR  13           HA       TYR  13  16.516  -2.415   7.402
   75   1HB   TYR  13          2HB       TYR  13  17.690  -4.847   8.592
   76   2HB   TYR  13          1HB       TYR  13  17.678  -3.617   9.831
   77    HD1  TYR  13           HD2      TYR  13  15.153  -2.132   9.273
   78    HD2  TYR  13           HD1      TYR  13  15.971  -6.311   9.061
   79    HE1  TYR  13           HE2      TYR  13  12.799  -2.622   9.660
   80    HE2  TYR  13           HE1      TYR  13  13.610  -6.794   9.455
   81    HH   TYR  13           HH       TYR  13  11.208  -4.674   9.083
   82    H    ASN  14           H        ASN  14  19.049  -1.496   6.535
   83    HA   ASN  14           HA       ASN  14  19.790   0.310   8.761
   84   1HB   ASN  14          2HB       ASN  14  21.614  -1.242   8.201
   85   2HB   ASN  14          1HB       ASN  14  21.558  -0.732   6.518
   86   1HD2  ASN  14          2HD2      ASN  14  23.784   1.882   7.112
   87   2HD2  ASN  14          1HD2      ASN  14  23.076   0.840   5.980
   88    H    CYS  15           H        CYS  15  18.275   0.391   5.757
   89    HA   CYS  15           HA       CYS  15  19.398   3.039   5.075
   90   1HB   CYS  15          2HB       CYS  15  17.372   1.319   3.586
   91   2HB   CYS  15          1HB       CYS  15  18.082   2.799   3.043
   92    H    CYS  16           H        CYS  16  18.351   4.805   5.366
   93    HA   CYS  16           HA       CYS  16  16.249   5.081   7.261
   94   1HB   CYS  16          2HB       CYS  16  17.032   6.945   5.012
   95   2HB   CYS  16          1HB       CYS  16  16.038   7.409   6.358
   96    H    ARG  17           H        ARG  17  16.060   4.209   4.031
   97    HA   ARG  17           HA       ARG  17  13.084   4.438   4.064
   98   1HB   ARG  17          2HB       ARG  17  15.050   4.982   1.851
   99   2HB   ARG  17          1HB       ARG  17  13.317   4.862   1.539
  100   1HG   ARG  17          2HG       ARG  17  13.233   6.665   3.547
  101   2HG   ARG  17          1HG       ARG  17  14.914   6.908   3.133
  102   1HD   ARG  17          2HD       ARG  17  13.607   8.537   1.893
  103   2HD   ARG  17          1HD       ARG  17  14.135   7.344   0.713
  104    HE   ARG  17           HE       ARG  17  11.447   7.089   2.001
  105   1HH1  ARG  17          2HH1      ARG  17  12.235   5.162   0.002
  106   2HH1  ARG  17          1HH1      ARG  17  11.563   5.763  -1.472
  107   1HH2  ARG  17          1HH2      ARG  17  11.163   8.955  -0.008
  108   2HH2  ARG  17          2HH2      ARG  17  10.913   8.081  -1.485
  109    H    SER  18           H        SER  18  15.567   2.826   2.144
  110    HA   SER  18           HA       SER  18  14.873   0.149   2.607
  111   1HB   SER  18          2HB       SER  18  13.405   1.447   0.247
  112   2HB   SER  18          1HB       SER  18  13.904  -0.233   0.108
  113    HG   SER  18           HG       SER  18  12.541   0.649   2.418
  114    H    CYS  19           H        CYS  19  15.731  -1.156   0.512
  115    HA   CYS  19           HA       CYS  19  18.349   0.073  -0.167
  116   1HB   CYS  19          2HB       CYS  19  18.422  -2.111   0.989
  117   2HB   CYS  19          1HB       CYS  19  17.441  -2.803  -0.269
  118    H    ASN  20           H        ASN  20  19.210  -0.362  -2.340
  119    HA   ASN  20           HA       ASN  20  17.206  -0.433  -4.530
  120   1HB   ASN  20          2HB       ASN  20  18.316   1.751  -4.302
  121   2HB   ASN  20          1HB       ASN  20  19.867   0.944  -4.536
  122   1HD2  ASN  20          2HD2      ASN  20  19.429   0.519  -7.925
  123   2HD2  ASN  20          1HD2      ASN  20  20.444   0.403  -6.570
  124    HA   HYP  21           HA       HYP  21  19.313  -4.490  -4.800
  125   1HB   HYP  21          1HB       HYP  21  17.348  -5.635  -4.888
  126   2HB   HYP  21          2HB       HYP  21  17.237  -5.259  -6.607
  127   1HD   HYP  21          1HD       HYP  21  16.923  -3.472  -3.280
  128   2HD   HYP  21          2HD       HYP  21  16.269  -2.054  -4.120
  129    HOD  HYP  21           HOD2     HYP  21  14.626  -4.889  -5.316
  130    HG   HYP  21           HG       HYP  21  15.865  -3.265  -6.165
  131    H    TYR  22           H        TYR  22  19.179  -1.899  -6.936
  132    HA   TYR  22           HA       TYR  22  20.639  -3.567  -8.891
  133   1HB   TYR  22          2HB       TYR  22  19.006  -0.969  -9.338
  134   2HB   TYR  22          1HB       TYR  22  19.971  -1.693 -10.612
  135    HD1  TYR  22           HD1      TYR  22  19.500  -4.334 -10.941
  136    HD2  TYR  22           HD2      TYR  22  16.724  -1.572  -9.266
  137    HE1  TYR  22           HE1      TYR  22  17.673  -5.837 -11.506
  138    HE2  TYR  22           HE2      TYR  22  14.882  -3.097  -9.844
  139    HH   TYR  22           HH       TYR  22  15.431  -6.312 -11.097
  140    H    THR  23           H        THR  23  21.223  -1.540  -6.646
  141    HA   THR  23           HA       THR  23  23.886  -0.905  -7.863
  142    HB   THR  23           HB       THR  23  23.814   1.370  -6.746
  143    HG1  THR  23           HG1      THR  23  22.275   1.777  -5.463
  144   1HG2  THR  23          2HG2      THR  23  21.330   0.925  -8.487
  145   2HG2  THR  23          1HG2      THR  23  22.092   2.468  -8.143
  146   3HG2  THR  23          3HG2      THR  23  22.930   1.256  -9.102
  147    H    LYS  24           H        LYS  24  21.674  -1.358  -5.292
  148    HA   LYS  24           HA       LYS  24  21.777  -2.476  -3.316
  149   1HB   LYS  24          2HB       LYS  24  24.832  -2.686  -3.525
  150   2HB   LYS  24          1HB       LYS  24  23.779  -3.623  -2.513
  151   1HG   LYS  24          2HG       LYS  24  22.679  -4.575  -4.629
  152   2HG   LYS  24          1HG       LYS  24  24.025  -3.903  -5.522
  153   1HD   LYS  24          2HD       LYS  24  25.646  -5.185  -4.144
  154   2HD   LYS  24          1HD       LYS  24  24.327  -5.872  -3.209
  155   1HE   LYS  24          2HE       LYS  24  24.731  -6.227  -6.210
  156   2HE   LYS  24          1HE       LYS  24  25.018  -7.454  -4.987
  157   1HZ   LYS  24          1HZ       LYS  24  22.437  -6.429  -4.617
  158   2HZ   LYS  24          3HZ       LYS  24  22.617  -6.812  -6.262
  159   3HZ   LYS  24          2HZ       LYS  24  22.891  -7.994  -5.072
  160    H    ARG  25           H        ARG  25  21.720   0.050  -3.838
  161    HA   ARG  25           HA       ARG  25  23.333   1.376  -1.698
  162   1HB   ARG  25          2HB       ARG  25  22.124   2.767  -4.056
  163   2HB   ARG  25          1HB       ARG  25  23.154   3.290  -2.759
  164   1HG   ARG  25          2HG       ARG  25  25.004   1.904  -3.361
  165   2HG   ARG  25          1HG       ARG  25  24.153   1.150  -4.671
  166   1HD   ARG  25          2HD       ARG  25  25.162   4.028  -4.435
  167   2HD   ARG  25          1HD       ARG  25  25.591   2.825  -5.624
  168    HE   ARG  25           HE       ARG  25  22.766   3.382  -5.821
  169   1HH1  ARG  25          1HH2      ARG  25  24.566   3.095  -8.051
  170   2HH1  ARG  25          2HH2      ARG  25  24.700   4.689  -8.724
  171   1HH2  ARG  25          2HH1      ARG  25  23.396   6.036  -5.702
  172   2HH2  ARG  25          1HH1      ARG  25  23.972   6.510  -7.267
  173    H    CYS  26           H        CYS  26  21.960   2.777  -0.422
  174    HA   CYS  26           HA       CYS  26  19.372   1.661   0.005
  175   1HB   CYS  26          2HB       CYS  26  20.786   4.134   0.684
  176   2HB   CYS  26          1HB       CYS  26  19.188   3.823   1.408
  177    H    TYR  27           H        TYR  27  17.360   2.519  -0.625
  178    HA   TYR  27           HA       TYR  27  17.146   3.442  -3.268
  179   1HB   TYR  27          2HB       TYR  27  15.276   3.029  -1.025
  180   2HB   TYR  27          1HB       TYR  27  14.817   4.459  -1.932
  181    HD1  TYR  27           HD1      TYR  27  15.004   4.187  -4.576
  182    HD2  TYR  27           HD2      TYR  27  14.499   0.947  -1.861
  183    HE1  TYR  27           HE1      TYR  27  14.090   2.794  -6.382
  184    HE2  TYR  27           HE2      TYR  27  13.582  -0.418  -3.641
  185    HH   TYR  27           HH       TYR  27  13.582  -0.558  -6.069
  186   1HN   NH2  28          1HT       TYR  27  16.894   5.525  -0.373
  187   2HN   NH2  28          2HT       TYR  27  17.240   6.955  -1.236
   
  No H/Q in entry =         187
  Start of MODEL    9
    1   1H    CYS   1          3H        CYS   1  21.020   6.443  10.391
    2   2H    CYS   1          2H        CYS   1  19.448   6.119  10.948
    3   3H    CYS   1          1H        CYS   1  20.730   5.070  11.349
    4    HA   CYS   1           HA       CYS   1  20.394   3.885   9.535
    5   1HB   CYS   1          2HB       CYS   1  18.394   4.460   8.116
    6   2HB   CYS   1          1HB       CYS   1  18.037   4.439   9.812
    7    H    LYS   2           H        LYS   2  20.189   4.145   6.987
    8    HA   LYS   2           HA       LYS   2  22.276   6.115   6.213
    9   1HB   LYS   2          2HB       LYS   2  21.543   3.473   4.930
   10   2HB   LYS   2          1HB       LYS   2  22.656   4.598   4.341
   11   1HG   LYS   2          2HG       LYS   2  22.792   3.298   7.117
   12   2HG   LYS   2          1HG       LYS   2  23.445   2.510   5.718
   13   1HD   LYS   2          2HD       LYS   2  25.383   3.488   6.591
   14   2HD   LYS   2          1HD       LYS   2  24.883   4.749   5.485
   15   1HE   LYS   2          2HE       LYS   2  23.874   6.035   7.348
   16   2HE   LYS   2          1HE       LYS   2  24.134   4.702   8.452
   17   1HZ   LYS   2          2HZ       LYS   2  26.572   5.319   7.227
   18   2HZ   LYS   2          1HZ       LYS   2  25.877   6.769   7.768
   19   3HZ   LYS   2          3HZ       LYS   2  26.130   5.494   8.857
   20    H    SER   3           H        SER   3  22.255   7.214   4.255
   21    HA   SER   3           HA       SER   3  19.615   7.666   3.184
   22   1HB   SER   3          2HB       SER   3  21.056   9.544   1.981
   23   2HB   SER   3          1HB       SER   3  20.916   9.686   3.741
   24    HG   SER   3           HG       SER   3  23.064   8.858   2.168
   25    HA   HYP   4           HA       HYP   4  20.342   5.530  -0.639
   26   1HB   HYP   4          1HB       HYP   4  18.908   6.793  -2.071
   27   2HB   HYP   4          2HB       HYP   4  20.238   7.872  -2.411
   28   1HD   HYP   4          1HD       HYP   4  18.174   7.354   0.924
   29   2HD   HYP   4          2HD       HYP   4  19.125   8.751   1.440
   30    HOD  HYP   4           HOD2     HYP   4  17.207   8.777  -0.280
   31    HG   HYP   4           HG       HYP   4  19.571   9.511  -0.804
   32    H    GLY   5           H        GLY   5  21.844   4.947  -1.943
   33   1HA   GLY   5          2HA       GLY   5  23.935   5.072  -3.039
   34   2HA   GLY   5          1HA       GLY   5  24.244   6.644  -2.264
   35    H    SER   6           H        SER   6  23.277   5.263   0.268
   36    HA   SER   6           HA       SER   6  25.918   4.451   1.212
   37   1HB   SER   6          2HB       SER   6  24.158   5.292   2.838
   38   2HB   SER   6          1HB       SER   6  23.112   3.934   2.371
   39    HG   SER   6           HG       SER   6  24.242   2.808   3.792
   40    H    SER   7           H        SER   7  26.318   2.083   1.491
   41    HA   SER   7           HA       SER   7  24.949   0.566  -0.612
   42   1HB   SER   7          2HB       SER   7  27.479   0.528  -0.562
   43   2HB   SER   7          1HB       SER   7  27.432  -0.219   1.047
   44    HG   SER   7           HG       SER   7  26.970  -2.060   0.108
   45    H    CYS   8           H        CYS   8  23.531  -0.972  -0.248
   46    HA   CYS   8           HA       CYS   8  23.242  -2.046   2.522
   47   1HB   CYS   8          2HB       CYS   8  20.698  -1.857   2.061
   48   2HB   CYS   8          1HB       CYS   8  21.509  -0.373   2.254
   49    H    SER   9           H        SER   9  21.012  -3.482   1.838
   50    HA   SER   9           HA       SER   9  21.495  -5.466  -0.220
   51   1HB   SER   9          2HB       SER   9  21.425  -6.056   2.801
   52   2HB   SER   9          1HB       SER   9  21.544  -7.286   1.545
   53    HG   SER   9           HG       SER   9  23.396  -5.455   0.979
   54    HA   HYP  10           HA       HYP  10  17.314  -5.025  -0.756
   55   1HB   HYP  10          1HB       HYP  10  16.875  -7.142  -1.662
   56   2HB   HYP  10          2HB       HYP  10  16.243  -7.592  -0.077
   57   1HD   HYP  10          1HD       HYP  10  19.593  -6.885  -1.679
   58   2HD   HYP  10          2HD       HYP  10  20.436  -7.487  -0.233
   59    HOD  HYP  10           HOD2     HYP  10  18.075  -9.839  -1.091
   60    HG   HYP  10           HG       HYP  10  18.401  -8.562   0.630
   61    H    THR  11           H        THR  11  18.231  -6.631   2.024
   62    HA   THR  11           HA       THR  11  16.371  -4.982   3.712
   63    HB   THR  11           HB       THR  11  15.296  -7.171   3.476
   64    HG1  THR  11           HG1      THR  11  16.716  -6.904   5.916
   65   1HG2  THR  11          3HG2      THR  11  17.899  -8.384   4.568
   66   2HG2  THR  11          2HG2      THR  11  16.409  -9.248   4.229
   67   3HG2  THR  11          1HG2      THR  11  17.341  -8.565   2.912
   68    H    SER  12           H        SER  12  19.055  -4.119   3.425
   69    HA   SER  12           HA       SER  12  20.897  -5.275   5.231
   70   1HB   SER  12          2HB       SER  12  21.501  -3.418   3.669
   71   2HB   SER  12          1HB       SER  12  20.479  -2.290   4.568
   72    HG   SER  12           HG       SER  12  22.880  -3.553   5.307
   73    H    TYR  13           H        TYR  13  18.284  -3.166   5.667
   74    HA   TYR  13           HA       TYR  13  16.834  -2.674   7.408
   75   1HB   TYR  13          2HB       TYR  13  18.177  -5.071   8.422
   76   2HB   TYR  13          1HB       TYR  13  18.265  -3.874   9.694
   77    HD1  TYR  13           HD1      TYR  13  15.816  -5.301   7.228
   78    HD2  TYR  13           HD2      TYR  13  16.386  -3.701  11.134
   79    HE1  TYR  13           HE1      TYR  13  13.498  -5.804   7.762
   80    HE2  TYR  13           HE2      TYR  13  14.046  -4.215  11.672
   81    HH   TYR  13           HH       TYR  13  12.072  -6.180   9.725
   82    H    ASN  14           H        ASN  14  19.369  -1.576   6.441
   83    HA   ASN  14           HA       ASN  14  19.917   0.230   8.725
   84   1HB   ASN  14          2HB       ASN  14  21.766  -1.385   8.254
   85   2HB   ASN  14          1HB       ASN  14  21.905  -0.755   6.629
   86   1HD2  ASN  14          2HD2      ASN  14  24.326   1.488   7.895
   87   2HD2  ASN  14          1HD2      ASN  14  23.988   0.276   6.760
   88    H    CYS  15           H        CYS  15  18.136   0.499   6.144
   89    HA   CYS  15           HA       CYS  15  19.392   3.038   5.210
   90   1HB   CYS  15          2HB       CYS  15  17.328   1.307   3.690
   91   2HB   CYS  15          1HB       CYS  15  18.115   2.764   3.179
   92    H    CYS  16           H        CYS  16  18.120   4.783   5.046
   93    HA   CYS  16           HA       CYS  16  15.989   4.971   7.074
   94   1HB   CYS  16          2HB       CYS  16  16.880   6.994   5.019
   95   2HB   CYS  16          1HB       CYS  16  15.864   7.358   6.372
   96    H    ARG  17           H        ARG  17  15.996   4.123   3.883
   97    HA   ARG  17           HA       ARG  17  13.043   4.632   3.591
   98   1HB   ARG  17          2HB       ARG  17  15.107   4.692   1.342
   99   2HB   ARG  17          1HB       ARG  17  13.387   4.953   1.163
  100   1HG   ARG  17          2HG       ARG  17  15.247   6.707   2.819
  101   2HG   ARG  17          1HG       ARG  17  14.667   7.085   1.213
  102   1HD   ARG  17          2HD       ARG  17  12.898   6.734   3.692
  103   2HD   ARG  17          1HD       ARG  17  13.272   8.240   2.884
  104    HE   ARG  17           HE       ARG  17  11.756   6.025   1.535
  105   1HH1  ARG  17          2HH1      ARG  17  12.970   8.486   0.280
  106   2HH1  ARG  17          1HH1      ARG  17  11.593   9.522   0.061
  107   1HH2  ARG  17          1HH2      ARG  17   9.736   7.466   2.269
  108   2HH2  ARG  17          2HH2      ARG  17   9.599   8.882   1.283
  109    H    SER  18           H        SER  18  15.629   2.666   2.267
  110    HA   SER  18           HA       SER  18  14.841   0.115   2.760
  111   1HB   SER  18          2HB       SER  18  12.630   0.484   1.504
  112   2HB   SER  18          1HB       SER  18  13.541   1.035   0.089
  113    HG   SER  18           HG       SER  18  12.936  -1.392   0.417
  114    H    CYS  19           H        CYS  19  15.620  -1.188   0.591
  115    HA   CYS  19           HA       CYS  19  18.217   0.092  -0.188
  116   1HB   CYS  19          2HB       CYS  19  18.353  -2.033   1.158
  117   2HB   CYS  19          1HB       CYS  19  17.550  -2.833  -0.154
  118    H    ASN  20           H        ASN  20  19.151  -0.437  -2.264
  119    HA   ASN  20           HA       ASN  20  17.123  -0.854  -4.407
  120   1HB   ASN  20          2HB       ASN  20  18.095   1.362  -4.297
  121   2HB   ASN  20          1HB       ASN  20  19.689   0.653  -4.521
  122   1HD2  ASN  20          2HD2      ASN  20  19.123   0.029  -7.902
  123   2HD2  ASN  20          1HD2      ASN  20  20.197  -0.048  -6.588
  124    HA   HYP  21           HA       HYP  21  19.520  -4.775  -4.454
  125   1HB   HYP  21          1HB       HYP  21  17.656  -6.117  -4.507
  126   2HB   HYP  21          2HB       HYP  21  17.559  -5.845  -6.245
  127   1HD   HYP  21          1HD       HYP  21  16.974  -3.848  -3.061
  128   2HD   HYP  21          2HD       HYP  21  16.246  -2.558  -4.043
  129    HOD  HYP  21           HOD2     HYP  21  14.728  -5.413  -4.951
  130    HG   HYP  21           HG       HYP  21  15.973  -4.010  -5.971
  131    H    TYR  22           H        TYR  22  19.181  -2.372  -6.761
  132    HA   TYR  22           HA       TYR  22  20.855  -4.002  -8.576
  133   1HB   TYR  22          2HB       TYR  22  18.886  -1.718  -9.235
  134   2HB   TYR  22          1HB       TYR  22  19.954  -2.411 -10.446
  135    HD1  TYR  22           HD1      TYR  22  19.882  -5.036 -10.659
  136    HD2  TYR  22           HD2      TYR  22  16.736  -2.725  -8.941
  137    HE1  TYR  22           HE1      TYR  22  18.321  -6.866 -11.054
  138    HE2  TYR  22           HE2      TYR  22  15.174  -4.574  -9.350
  139    HH   TYR  22           HH       TYR  22  16.005  -7.298 -11.274
  140    H    THR  23           H        THR  23  21.209  -1.825  -6.498
  141    HA   THR  23           HA       THR  23  23.705  -0.820  -7.818
  142    HB   THR  23           HB       THR  23  23.318   1.417  -6.632
  143    HG1  THR  23           HG1      THR  23  21.724   1.511  -5.277
  144   1HG2  THR  23          2HG2      THR  23  20.967   0.615  -8.433
  145   2HG2  THR  23          1HG2      THR  23  21.426   2.263  -8.027
  146   3HG2  THR  23          3HG2      THR  23  22.493   1.246  -8.980
  147    H    LYS  24           H        LYS  24  21.618  -1.481  -5.146
  148    HA   LYS  24           HA       LYS  24  21.914  -2.613  -3.177
  149   1HB   LYS  24          2HB       LYS  24  24.933  -2.539  -3.534
  150   2HB   LYS  24          1HB       LYS  24  24.037  -3.583  -2.510
  151   1HG   LYS  24          2HG       LYS  24  22.905  -4.519  -4.743
  152   2HG   LYS  24          1HG       LYS  24  24.245  -3.740  -5.553
  153   1HD   LYS  24          2HD       LYS  24  25.308  -5.721  -5.260
  154   2HD   LYS  24          1HD       LYS  24  25.641  -5.137  -3.649
  155   1HE   LYS  24          2HE       LYS  24  23.273  -6.884  -4.494
  156   2HE   LYS  24          1HE       LYS  24  24.646  -7.394  -3.527
  157   1HZ   LYS  24          1HZ       LYS  24  23.520  -5.153  -2.292
  158   2HZ   LYS  24          3HZ       LYS  24  22.261  -6.215  -2.675
  159   3HZ   LYS  24          2HZ       LYS  24  23.573  -6.744  -1.735
  160    H    ARG  25           H        ARG  25  21.757  -0.025  -3.790
  161    HA   ARG  25           HA       ARG  25  23.389   1.343  -1.670
  162   1HB   ARG  25          2HB       ARG  25  22.093   2.710  -4.001
  163   2HB   ARG  25          1HB       ARG  25  23.181   3.275  -2.768
  164   1HG   ARG  25          2HG       ARG  25  24.031   1.120  -4.727
  165   2HG   ARG  25          1HG       ARG  25  24.527   2.799  -4.859
  166   1HD   ARG  25          2HD       ARG  25  25.494   2.426  -2.444
  167   2HD   ARG  25          1HD       ARG  25  25.208   0.729  -2.744
  168    HE   ARG  25           HE       ARG  25  26.581   1.019  -4.855
  169   1HH1  ARG  25          1HH2      ARG  25  26.937   3.470  -2.505
  170   2HH1  ARG  25          2HH2      ARG  25  28.661   3.472  -2.571
  171   1HH2  ARG  25          2HH1      ARG  25  28.740   0.734  -4.740
  172   2HH2  ARG  25          1HH1      ARG  25  29.744   1.865  -3.895
  173    H    CYS  26           H        CYS  26  22.029   2.762  -0.382
  174    HA   CYS  26           HA       CYS  26  19.473   1.552   0.125
  175   1HB   CYS  26          2HB       CYS  26  20.929   4.004   0.893
  176   2HB   CYS  26          1HB       CYS  26  19.308   3.704   1.544
  177    H    TYR  27           H        TYR  27  17.523   2.508  -0.342
  178    HA   TYR  27           HA       TYR  27  17.314   3.774  -2.941
  179   1HB   TYR  27          2HB       TYR  27  15.502   2.461  -1.102
  180   2HB   TYR  27          1HB       TYR  27  14.893   4.100  -1.249
  181    HD1  TYR  27           HD1      TYR  27  14.653   5.049  -3.676
  182    HD2  TYR  27           HD2      TYR  27  15.080   0.905  -2.788
  183    HE1  TYR  27           HE1      TYR  27  13.758   4.476  -5.884
  184    HE2  TYR  27           HE2      TYR  27  14.182   0.340  -4.994
  185    HH   TYR  27           HH       TYR  27  12.479   2.313  -6.803
  186   1HN   NH2  28          1HT       TYR  27  16.172   6.209  -2.963
  187   2HN   NH2  28          2HT       TYR  27  16.842   7.229  -1.767
   
  No H/Q in entry =         187
  Start of MODEL   10
    1   1H    CYS   1          2H        CYS   1  21.135   5.967  10.609
    2   2H    CYS   1          1H        CYS   1  19.558   5.582  11.115
    3   3H    CYS   1          3H        CYS   1  20.833   4.481  11.377
    4    HA   CYS   1           HA       CYS   1  20.497   3.548   9.425
    5   1HB   CYS   1          2HB       CYS   1  18.481   4.228   8.125
    6   2HB   CYS   1          1HB       CYS   1  18.134   4.151   9.827
    7    H    LYS   2           H        LYS   2  20.238   4.157   6.961
    8    HA   LYS   2           HA       LYS   2  22.135   6.370   6.364
    9   1HB   LYS   2          2HB       LYS   2  22.087   3.490   5.416
   10   2HB   LYS   2          1HB       LYS   2  22.799   4.699   4.425
   11   1HG   LYS   2          2HG       LYS   2  24.050   5.470   6.660
   12   2HG   LYS   2          1HG       LYS   2  23.459   3.975   7.331
   13   1HD   LYS   2          2HD       LYS   2  24.770   2.688   5.592
   14   2HD   LYS   2          1HD       LYS   2  25.211   4.206   4.855
   15   1HE   LYS   2          2HE       LYS   2  27.011   3.244   6.363
   16   2HE   LYS   2          1HE       LYS   2  26.564   4.907   6.682
   17   1HZ   LYS   2          1HZ       LYS   2  24.900   3.276   8.250
   18   2HZ   LYS   2          3HZ       LYS   2  26.491   2.728   8.441
   19   3HZ   LYS   2          2HZ       LYS   2  26.101   4.355   8.740
   20    H    SER   3           H        SER   3  21.850   7.570   4.547
   21    HA   SER   3           HA       SER   3  19.199   7.437   3.325
   22   1HB   SER   3          2HB       SER   3  21.489   9.490   3.461
   23   2HB   SER   3          1HB       SER   3  20.103   9.799   2.433
   24    HG   SER   3           HG       SER   3  20.269   9.749   5.191
   25    HA   HYP   4           HA       HYP   4  20.225   5.553  -0.428
   26   1HB   HYP   4          1HB       HYP   4  18.843   6.704  -1.953
   27   2HB   HYP   4          2HB       HYP   4  20.160   7.788  -2.311
   28   1HD   HYP   4          1HD       HYP   4  18.003   7.282   0.916
   29   2HD   HYP   4          2HD       HYP   4  18.791   8.757   1.466
   30    HOD  HYP   4           HOD2     HYP   4  17.081   8.871  -0.301
   31    HG   HYP   4           HG       HYP   4  19.431   9.474  -0.753
   32    H    GLY   5           H        GLY   5  21.555   5.016  -1.991
   33   1HA   GLY   5          2HA       GLY   5  23.649   5.155  -3.171
   34   2HA   GLY   5          1HA       GLY   5  24.065   6.588  -2.215
   35    H    SER   6           H        SER   6  23.290   5.361   0.222
   36    HA   SER   6           HA       SER   6  25.742   4.307   1.185
   37   1HB   SER   6          2HB       SER   6  22.855   4.003   2.191
   38   2HB   SER   6          1HB       SER   6  24.252   3.415   3.101
   39    HG   SER   6           HG       SER   6  23.466   6.029   2.465
   40    H    SER   7           H        SER   7  26.282   2.024   1.349
   41    HA   SER   7           HA       SER   7  24.876   0.536  -0.709
   42   1HB   SER   7          2HB       SER   7  27.019  -1.030   0.608
   43   2HB   SER   7          1HB       SER   7  26.998  -0.392  -1.042
   44    HG   SER   7           HG       SER   7  28.322   1.088  -0.324
   45    H    CYS   8           H        CYS   8  23.474  -0.982  -0.399
   46    HA   CYS   8           HA       CYS   8  23.127  -2.066   2.377
   47   1HB   CYS   8          2HB       CYS   8  20.675  -2.162   1.711
   48   2HB   CYS   8          1HB       CYS   8  21.365  -0.582   1.881
   49    H    SER   9           H        SER   9  21.441  -3.729   2.311
   50    HA   SER   9           HA       SER   9  21.991  -6.078   0.586
   51   1HB   SER   9          2HB       SER   9  22.877  -6.107   3.149
   52   2HB   SER   9          1HB       SER   9  21.154  -6.055   3.542
   53    HG   SER   9           HG       SER   9  22.543  -8.201   2.891
   54    HA   HYP  10           HA       HYP  10  17.953  -5.152  -0.663
   55   1HB   HYP  10          1HB       HYP  10  17.473  -7.215  -1.630
   56   2HB   HYP  10          2HB       HYP  10  16.546  -7.567  -0.173
   57   1HD   HYP  10          1HD       HYP  10  20.267  -7.290  -1.120
   58   2HD   HYP  10          2HD       HYP  10  20.659  -7.917   0.506
   59    HOD  HYP  10           HOD2     HYP  10  17.957  -9.686  -1.265
   60    HG   HYP  10           HG       HYP  10  18.412  -8.804   0.831
   61    H    THR  11           H        THR  11  18.313  -6.769   2.275
   62    HA   THR  11           HA       THR  11  16.328  -4.951   3.594
   63    HB   THR  11           HB       THR  11  15.586  -6.893   5.035
   64    HG1  THR  11           HG1      THR  11  17.603  -7.920   4.909
   65   1HG2  THR  11          2HG2      THR  11  14.449  -6.735   2.714
   66   2HG2  THR  11          1HG2      THR  11  15.675  -7.843   2.116
   67   3HG2  THR  11          3HG2      THR  11  14.542  -8.380   3.341
   68    H    SER  12           H        SER  12  18.971  -4.106   3.632
   69    HA   SER  12           HA       SER  12  20.539  -5.340   5.702
   70   1HB   SER  12          2HB       SER  12  20.528  -2.473   4.638
   71   2HB   SER  12          1HB       SER  12  21.613  -2.986   5.939
   72    HG   SER  12           HG       SER  12  22.796  -3.739   4.374
   73    H    TYR  13           H        TYR  13  18.080  -2.963   5.828
   74    HA   TYR  13           HA       TYR  13  16.614  -2.259   7.499
   75   1HB   TYR  13          2HB       TYR  13  18.216  -4.175   9.354
   76   2HB   TYR  13          1HB       TYR  13  16.934  -3.138   9.913
   77    HD1  TYR  13           HD2      TYR  13  14.601  -3.459   9.124
   78    HD2  TYR  13           HD1      TYR  13  17.680  -6.178   8.005
   79    HE1  TYR  13           HE2      TYR  13  12.913  -5.081   8.399
   80    HE2  TYR  13           HE1      TYR  13  15.995  -7.794   7.292
   81    HH   TYR  13           HH       TYR  13  13.750  -8.082   6.804
   82    H    ASN  14           H        ASN  14  19.251  -1.446   6.598
   83    HA   ASN  14           HA       ASN  14  19.923   0.426   8.799
   84   1HB   ASN  14          2HB       ASN  14  21.794  -1.132   8.375
   85   2HB   ASN  14          1HB       ASN  14  21.775  -0.747   6.665
   86   1HD2  ASN  14          2HD2      ASN  14  23.968   1.944   7.109
   87   2HD2  ASN  14          1HD2      ASN  14  23.287   0.805   6.049
   88    H    CYS  15           H        CYS  15  18.307   0.447   5.976
   89    HA   CYS  15           HA       CYS  15  19.417   3.039   5.062
   90   1HB   CYS  15          2HB       CYS  15  17.476   1.177   3.567
   91   2HB   CYS  15          1HB       CYS  15  18.205   2.649   3.026
   92    H    CYS  16           H        CYS  16  18.376   4.747   5.593
   93    HA   CYS  16           HA       CYS  16  16.136   4.968   7.257
   94   1HB   CYS  16          2HB       CYS  16  17.072   6.928   5.163
   95   2HB   CYS  16          1HB       CYS  16  16.061   7.340   6.507
   96    H    ARG  17           H        ARG  17  16.116   4.211   4.000
   97    HA   ARG  17           HA       ARG  17  13.155   4.610   3.826
   98   1HB   ARG  17          2HB       ARG  17  15.357   5.259   1.871
   99   2HB   ARG  17          1HB       ARG  17  13.682   5.159   1.328
  100   1HG   ARG  17          2HG       ARG  17  13.190   7.220   2.264
  101   2HG   ARG  17          1HG       ARG  17  13.920   6.804   3.794
  102   1HD   ARG  17          2HD       ARG  17  16.175   7.294   2.812
  103   2HD   ARG  17          1HD       ARG  17  15.396   7.862   1.337
  104    HE   ARG  17           HE       ARG  17  14.256   9.608   2.773
  105   1HH1  ARG  17          2HH1      ARG  17  17.387   9.024   2.821
  106   2HH1  ARG  17          1HH1      ARG  17  17.846   9.715   4.329
  107   1HH2  ARG  17          1HH2      ARG  17  14.383  10.065   5.142
  108   2HH2  ARG  17          2HH2      ARG  17  15.976  10.377   5.745
  109    H    SER  18           H        SER  18  15.777   2.805   2.245
  110    HA   SER  18           HA       SER  18  14.885   0.221   2.529
  111   1HB   SER  18          2HB       SER  18  12.764   0.928   1.129
  112   2HB   SER  18          1HB       SER  18  13.865   1.279  -0.201
  113    HG   SER  18           HG       SER  18  12.909  -1.052   0.359
  114    H    CYS  19           H        CYS  19  15.615  -0.970   0.304
  115    HA   CYS  19           HA       CYS  19  18.350   0.071  -0.326
  116   1HB   CYS  19          2HB       CYS  19  18.330  -2.021   0.970
  117   2HB   CYS  19          1HB       CYS  19  17.350  -2.764  -0.264
  118    H    ASN  20           H        ASN  20  19.242  -0.451  -2.408
  119    HA   ASN  20           HA       ASN  20  17.270  -0.593  -4.618
  120   1HB   ASN  20          2HB       ASN  20  18.397   1.551  -4.432
  121   2HB   ASN  20          1HB       ASN  20  19.949   0.729  -4.628
  122   1HD2  ASN  20          2HD2      ASN  20  19.416   0.090  -8.017
  123   2HD2  ASN  20          1HD2      ASN  20  20.440  -0.066  -6.671
  124    HA   HYP  21           HA       HYP  21  19.359  -4.630  -4.683
  125   1HB   HYP  21          1HB       HYP  21  17.342  -5.771  -4.653
  126   2HB   HYP  21          2HB       HYP  21  17.364  -5.660  -6.416
  127   1HD   HYP  21          1HD       HYP  21  16.741  -3.458  -3.397
  128   2HD   HYP  21          2HD       HYP  21  16.207  -2.151  -4.467
  129    HOD  HYP  21           HOD2     HYP  21  14.443  -4.663  -5.408
  130    HG   HYP  21           HG       HYP  21  15.993  -3.602  -6.384
  131    H    TYR  22           H        TYR  22  19.204  -2.203  -6.913
  132    HA   TYR  22           HA       TYR  22  20.697  -3.906  -8.785
  133   1HB   TYR  22          2HB       TYR  22  18.827  -1.501  -9.340
  134   2HB   TYR  22          1HB       TYR  22  19.913  -2.087 -10.590
  135    HD1  TYR  22           HD1      TYR  22  17.318  -3.422  -8.187
  136    HD2  TYR  22           HD2      TYR  22  19.118  -3.747 -12.039
  137    HE1  TYR  22           HE1      TYR  22  15.734  -5.188  -8.787
  138    HE2  TYR  22           HE2      TYR  22  17.525  -5.510 -12.626
  139    HH   TYR  22           HH       TYR  22  16.137  -7.272 -11.180
  140    H    THR  23           H        THR  23  21.268  -1.898  -6.646
  141    HA   THR  23           HA       THR  23  23.824  -1.078  -7.968
  142    HB   THR  23           HB       THR  23  23.703   1.110  -6.800
  143    HG1  THR  23           HG1      THR  23  22.193   1.380  -5.382
  144   1HG2  THR  23          2HG2      THR  23  21.238   0.656  -8.574
  145   2HG2  THR  23          1HG2      THR  23  21.891   2.230  -8.135
  146   3HG2  THR  23          3HG2      THR  23  22.826   1.117  -9.117
  147    H    LYS  24           H        LYS  24  21.735  -1.501  -5.298
  148    HA   LYS  24           HA       LYS  24  21.960  -2.648  -3.321
  149   1HB   LYS  24          2HB       LYS  24  24.988  -2.597  -3.607
  150   2HB   LYS  24          1HB       LYS  24  24.066  -3.599  -2.541
  151   1HG   LYS  24          2HG       LYS  24  23.163  -5.011  -4.238
  152   2HG   LYS  24          1HG       LYS  24  23.743  -3.991  -5.533
  153   1HD   LYS  24          2HD       LYS  24  25.658  -5.394  -3.622
  154   2HD   LYS  24          1HD       LYS  24  25.066  -6.147  -5.083
  155   1HE   LYS  24          2HE       LYS  24  27.142  -5.134  -5.713
  156   2HE   LYS  24          1HE       LYS  24  25.911  -4.063  -6.357
  157   1HZ   LYS  24          3HZ       LYS  24  26.566  -3.305  -3.718
  158   2HZ   LYS  24          2HZ       LYS  24  27.969  -3.399  -4.662
  159   3HZ   LYS  24          1HZ       LYS  24  26.667  -2.419  -5.163
  160    H    ARG  25           H        ARG  25  21.768  -0.077  -3.892
  161    HA   ARG  25           HA       ARG  25  23.409   1.406  -1.842
  162   1HB   ARG  25          2HB       ARG  25  21.799   2.667  -3.988
  163   2HB   ARG  25          1HB       ARG  25  22.934   3.306  -2.845
  164   1HG   ARG  25          2HG       ARG  25  24.828   2.678  -3.932
  165   2HG   ARG  25          1HG       ARG  25  24.100   1.335  -4.767
  166   1HD   ARG  25          2HD       ARG  25  22.724   3.160  -6.112
  167   2HD   ARG  25          1HD       ARG  25  23.696   4.343  -5.267
  168    HE   ARG  25           HE       ARG  25  25.030   2.266  -6.952
  169   1HH1  ARG  25          2HH1      ARG  25  26.617   4.230  -5.580
  170   2HH1  ARG  25          1HH1      ARG  25  26.874   5.484  -6.750
  171   1HH2  ARG  25          1HH2      ARG  25  24.126   4.248  -8.639
  172   2HH2  ARG  25          2HH2      ARG  25  25.310   5.504  -8.613
  173    H    CYS  26           H        CYS  26  22.022   2.829  -0.556
  174    HA   CYS  26           HA       CYS  26  19.499   1.564  -0.002
  175   1HB   CYS  26          2HB       CYS  26  20.967   4.006   0.807
  176   2HB   CYS  26          1HB       CYS  26  19.362   3.687   1.491
  177    H    TYR  27           H        TYR  27  17.550   2.464  -0.522
  178    HA   TYR  27           HA       TYR  27  17.405   3.887  -3.055
  179   1HB   TYR  27          2HB       TYR  27  15.574   2.303  -1.471
  180   2HB   TYR  27          1HB       TYR  27  14.876   3.911  -1.468
  181    HD1  TYR  27           HD1      TYR  27  14.852   5.113  -3.853
  182    HD2  TYR  27           HD2      TYR  27  15.143   0.910  -3.278
  183    HE1  TYR  27           HE1      TYR  27  14.096   4.728  -6.148
  184    HE2  TYR  27           HE2      TYR  27  14.390   0.537  -5.555
  185    HH   TYR  27           HH       TYR  27  14.470   1.846  -7.694
  186   1HN   NH2  28          1HT       TYR  27  16.158   6.215  -2.993
  187   2HN   NH2  28          2HT       TYR  27  16.692   7.196  -1.706
   
  No H/Q in entry =         187
  Start of MODEL   11
    1   1H    CYS   1          3H        CYS   1  21.193   5.990  10.568
    2   2H    CYS   1          2H        CYS   1  19.601   5.715  11.094
    3   3H    CYS   1          1H        CYS   1  20.806   4.538  11.368
    4    HA   CYS   1           HA       CYS   1  20.402   3.596   9.428
    5   1HB   CYS   1          2HB       CYS   1  18.454   4.407   8.105
    6   2HB   CYS   1          1HB       CYS   1  18.085   4.317   9.801
    7    H    LYS   2           H        LYS   2  20.191   4.180   6.937
    8    HA   LYS   2           HA       LYS   2  22.220   6.277   6.348
    9   1HB   LYS   2          2HB       LYS   2  22.048   3.398   5.433
   10   2HB   LYS   2          1HB       LYS   2  22.829   4.599   4.478
   11   1HG   LYS   2          2HG       LYS   2  24.084   5.258   6.699
   12   2HG   LYS   2          1HG       LYS   2  23.311   3.892   7.447
   13   1HD   LYS   2          2HD       LYS   2  24.528   2.422   5.646
   14   2HD   LYS   2          1HD       LYS   2  25.384   3.889   5.227
   15   1HE   LYS   2          2HE       LYS   2  26.307   4.153   7.446
   16   2HE   LYS   2          1HE       LYS   2  25.355   2.836   8.100
   17   1HZ   LYS   2          3HZ       LYS   2  26.837   1.911   5.875
   18   2HZ   LYS   2          2HZ       LYS   2  27.868   2.721   6.944
   19   3HZ   LYS   2          1HZ       LYS   2  26.928   1.430   7.501
   20    H    SER   3           H        SER   3  22.364   7.141   4.218
   21    HA   SER   3           HA       SER   3  19.764   7.588   3.125
   22   1HB   SER   3          2HB       SER   3  21.327   9.325   1.800
   23   2HB   SER   3          1HB       SER   3  21.027   9.597   3.529
   24    HG   SER   3           HG       SER   3  23.331   8.744   2.259
   25    HA   HYP   4           HA       HYP   4  20.205   5.454  -0.778
   26   1HB   HYP   4          1HB       HYP   4  18.690   6.696  -2.054
   27   2HB   HYP   4          2HB       HYP   4  19.919   7.893  -2.366
   28   1HD   HYP   4          1HD       HYP   4  18.142   7.078   1.116
   29   2HD   HYP   4          2HD       HYP   4  19.058   8.540   1.523
   30    HOD  HYP   4           HOD2     HYP   4  16.950   8.507   0.024
   31    HG   HYP   4           HG       HYP   4  19.101   9.371  -0.688
   32    H    GLY   5           H        GLY   5  21.845   4.818  -1.717
   33   1HA   GLY   5          2HA       GLY   5  23.854   5.086  -3.028
   34   2HA   GLY   5          1HA       GLY   5  24.140   6.659  -2.255
   35    H    SER   6           H        SER   6  23.215   5.233   0.285
   36    HA   SER   6           HA       SER   6  25.886   4.447   1.205
   37   1HB   SER   6          2HB       SER   6  23.107   3.869   2.389
   38   2HB   SER   6          1HB       SER   6  24.634   3.601   3.241
   39    HG   SER   6           HG       SER   6  23.378   5.990   2.482
   40    H    SER   7           H        SER   7  26.342   2.024   1.426
   41    HA   SER   7           HA       SER   7  24.898   0.579  -0.640
   42   1HB   SER   7          2HB       SER   7  26.903  -1.134  -0.065
   43   2HB   SER   7          1HB       SER   7  27.292   0.386  -0.883
   44    HG   SER   7           HG       SER   7  27.844  -0.388   1.699
   45    H    CYS   8           H        CYS   8  23.487  -0.989  -0.335
   46    HA   CYS   8           HA       CYS   8  23.260  -2.151   2.435
   47   1HB   CYS   8          2HB       CYS   8  20.766  -2.214   1.946
   48   2HB   CYS   8          1HB       CYS   8  21.426  -0.633   2.126
   49    H    SER   9           H        SER   9  21.502  -3.838   2.307
   50    HA   SER   9           HA       SER   9  21.976  -5.961   0.274
   51   1HB   SER   9          2HB       SER   9  21.901  -7.660   2.096
   52   2HB   SER   9          1HB       SER   9  23.067  -6.489   2.701
   53    HG   SER   9           HG       SER   9  21.108  -5.479   3.680
   54    HA   HYP  10           HA       HYP  10  17.863  -5.170  -0.533
   55   1HB   HYP  10          1HB       HYP  10  17.374  -7.160  -1.621
   56   2HB   HYP  10          2HB       HYP  10  16.565  -7.670  -0.141
   57   1HD   HYP  10          1HD       HYP  10  20.185  -7.179  -1.329
   58   2HD   HYP  10          2HD       HYP  10  20.717  -7.914   0.204
   59    HOD  HYP  10           HOD2     HYP  10  18.329  -9.938  -1.255
   60    HG   HYP  10           HG       HYP  10  18.536  -8.902   0.629
   61    H    THR  11           H        THR  11  18.520  -6.784   2.355
   62    HA   THR  11           HA       THR  11  16.368  -5.218   3.796
   63    HB   THR  11           HB       THR  11  16.999  -8.202   4.283
   64    HG1  THR  11           HG1      THR  11  15.452  -6.771   2.527
   65   1HG2  THR  11          3HG2      THR  11  14.621  -6.447   5.133
   66   2HG2  THR  11          2HG2      THR  11  14.844  -8.154   5.482
   67   3HG2  THR  11          1HG2      THR  11  15.881  -6.972   6.247
   68    H    SER  12           H        SER  12  19.263  -4.448   3.674
   69    HA   SER  12           HA       SER  12  20.724  -5.310   5.891
   70   1HB   SER  12          2HB       SER  12  20.435  -2.464   4.787
   71   2HB   SER  12          1HB       SER  12  21.696  -2.969   5.930
   72    HG   SER  12           HG       SER  12  22.681  -3.760   4.267
   73    H    TYR  13           H        TYR  13  18.091  -3.135   5.805
   74    HA   TYR  13           HA       TYR  13  16.524  -2.440   7.387
   75   1HB   TYR  13          2HB       TYR  13  17.699  -4.802   8.662
   76   2HB   TYR  13          1HB       TYR  13  17.710  -3.527   9.856
   77    HD1  TYR  13           HD2      TYR  13  15.568  -5.331   7.456
   78    HD2  TYR  13           HD1      TYR  13  15.637  -2.903  10.935
   79    HE1  TYR  13           HE2      TYR  13  13.190  -5.771   7.780
   80    HE2  TYR  13           HE1      TYR  13  13.244  -3.341  11.276
   81    HH   TYR  13           HH       TYR  13  11.226  -4.417   9.052
   82    H    ASN  14           H        ASN  14  19.128  -1.494   6.572
   83    HA   ASN  14           HA       ASN  14  19.633   0.408   8.781
   84   1HB   ASN  14          2HB       ASN  14  21.508  -1.147   8.449
   85   2HB   ASN  14          1HB       ASN  14  21.611  -0.703   6.758
   86   1HD2  ASN  14          2HD2      ASN  14  23.722   1.973   7.401
   87   2HD2  ASN  14          1HD2      ASN  14  23.081   0.882   6.278
   88    H    CYS  15           H        CYS  15  18.164   0.513   5.873
   89    HA   CYS  15           HA       CYS  15  19.393   3.105   5.073
   90   1HB   CYS  15          2HB       CYS  15  17.457   1.283   3.522
   91   2HB   CYS  15          1HB       CYS  15  18.136   2.785   3.004
   92    H    CYS  16           H        CYS  16  18.379   4.860   5.601
   93    HA   CYS  16           HA       CYS  16  16.182   5.032   7.353
   94   1HB   CYS  16          2HB       CYS  16  16.902   7.065   5.225
   95   2HB   CYS  16          1HB       CYS  16  15.998   7.381   6.681
   96    H    ARG  17           H        ARG  17  16.060   4.368   4.058
   97    HA   ARG  17           HA       ARG  17  13.087   4.583   4.056
   98   1HB   ARG  17          2HB       ARG  17  15.141   5.469   2.080
   99   2HB   ARG  17          1HB       ARG  17  13.591   4.940   1.415
  100   1HG   ARG  17          2HG       ARG  17  12.490   6.488   3.121
  101   2HG   ARG  17          1HG       ARG  17  14.098   7.095   3.500
  102   1HD   ARG  17          2HD       ARG  17  14.364   8.045   1.288
  103   2HD   ARG  17          1HD       ARG  17  12.982   7.179   0.656
  104    HE   ARG  17           HE       ARG  17  12.409   9.568   1.170
  105   1HH1  ARG  17          2HH1      ARG  17  13.492   9.628   3.870
  106   2HH1  ARG  17          1HH1      ARG  17  12.081   9.566   4.881
  107   1HH2  ARG  17          1HH2      ARG  17  10.181   8.393   2.129
  108   2HH2  ARG  17          2HH2      ARG  17  10.045   8.809   3.806
  109    H    SER  18           H        SER  18  15.618   2.979   2.187
  110    HA   SER  18           HA       SER  18  14.650   0.364   2.499
  111   1HB   SER  18          2HB       SER  18  13.813   0.532  -0.231
  112   2HB   SER  18          1HB       SER  18  12.688   0.491   1.118
  113    HG   SER  18           HG       SER  18  12.315   2.542   0.855
  114    H    CYS  19           H        CYS  19  15.488  -0.941   0.398
  115    HA   CYS  19           HA       CYS  19  18.226   0.096  -0.196
  116   1HB   CYS  19          2HB       CYS  19  18.170  -1.932   1.189
  117   2HB   CYS  19          1HB       CYS  19  17.233  -2.754  -0.031
  118    H    ASN  20           H        ASN  20  19.159  -0.446  -2.269
  119    HA   ASN  20           HA       ASN  20  17.281  -0.590  -4.497
  120   1HB   ASN  20          2HB       ASN  20  18.568   1.473  -4.034
  121   2HB   ASN  20          1HB       ASN  20  20.007   0.531  -4.385
  122   1HD2  ASN  20          2HD2      ASN  20  17.665   1.670  -7.355
  123   2HD2  ASN  20          1HD2      ASN  20  17.345   2.191  -5.776
  124    HA   HYP  21           HA       HYP  21  19.317  -4.567  -4.795
  125   1HB   HYP  21          1HB       HYP  21  17.082  -5.493  -4.771
  126   2HB   HYP  21          2HB       HYP  21  17.538  -5.825  -6.456
  127   1HD   HYP  21          1HD       HYP  21  16.185  -3.104  -4.186
  128   2HD   HYP  21          2HD       HYP  21  16.237  -1.925  -5.529
  129    HOD  HYP  21           HOD2     HYP  21  14.896  -4.795  -5.365
  130    HG   HYP  21           HG       HYP  21  16.758  -3.577  -7.153
  131    H    TYR  22           H        TYR  22  19.215  -2.032  -6.899
  132    HA   TYR  22           HA       TYR  22  20.739  -3.663  -8.840
  133   1HB   TYR  22          2HB       TYR  22  19.301  -1.047  -9.654
  134   2HB   TYR  22          1HB       TYR  22  19.730  -2.369 -10.731
  135    HD1  TYR  22           HD2      TYR  22  18.620  -4.770  -9.786
  136    HD2  TYR  22           HD1      TYR  22  16.990  -0.863  -9.272
  137    HE1  TYR  22           HE2      TYR  22  16.401  -5.738  -9.390
  138    HE2  TYR  22           HE1      TYR  22  14.780  -1.852  -8.874
  139    HH   TYR  22           HH       TYR  22  14.335  -4.503  -7.828
  140    H    THR  23           H        THR  23  21.175  -1.617  -6.600
  141    HA   THR  23           HA       THR  23  23.728  -0.709  -7.893
  142    HB   THR  23           HB       THR  23  23.446   1.495  -6.672
  143    HG1  THR  23           HG1      THR  23  20.803   0.910  -6.251
  144   1HG2  THR  23          3HG2      THR  23  20.944   0.803  -8.327
  145   2HG2  THR  23          2HG2      THR  23  21.556   2.418  -8.004
  146   3HG2  THR  23          1HG2      THR  23  22.467   1.310  -9.017
  147    H    LYS  24           H        LYS  24  21.702  -1.425  -5.252
  148    HA   LYS  24           HA       LYS  24  21.972  -2.618  -3.330
  149   1HB   LYS  24          2HB       LYS  24  25.030  -2.571  -3.531
  150   2HB   LYS  24          1HB       LYS  24  24.042  -3.734  -2.705
  151   1HG   LYS  24          2HG       LYS  24  24.322  -3.600  -5.739
  152   2HG   LYS  24          1HG       LYS  24  25.022  -4.803  -4.687
  153   1HD   LYS  24          2HD       LYS  24  22.789  -5.619  -4.039
  154   2HD   LYS  24          1HD       LYS  24  22.028  -4.348  -4.990
  155   1HE   LYS  24          2HE       LYS  24  23.106  -5.221  -7.055
  156   2HE   LYS  24          1HE       LYS  24  23.857  -6.510  -6.124
  157   1HZ   LYS  24          2HZ       LYS  24  21.114  -6.521  -5.565
  158   2HZ   LYS  24          1HZ       LYS  24  21.290  -6.411  -7.235
  159   3HZ   LYS  24          3HZ       LYS  24  22.027  -7.689  -6.388
  160    H    ARG  25           H        ARG  25  21.770  -0.032  -3.791
  161    HA   ARG  25           HA       ARG  25  23.367   1.353  -1.682
  162   1HB   ARG  25          2HB       ARG  25  21.902   2.650  -3.943
  163   2HB   ARG  25          1HB       ARG  25  23.002   3.317  -2.750
  164   1HG   ARG  25          2HG       ARG  25  23.977   1.164  -4.607
  165   2HG   ARG  25          1HG       ARG  25  23.866   2.821  -5.173
  166   1HD   ARG  25          2HD       ARG  25  25.498   3.543  -3.499
  167   2HD   ARG  25          1HD       ARG  25  25.494   1.948  -2.751
  168    HE   ARG  25           HE       ARG  25  26.439   1.060  -4.873
  169   1HH1  ARG  25          2HH1      ARG  25  25.588   3.331  -6.497
  170   2HH1  ARG  25          1HH1      ARG  25  27.054   4.187  -6.845
  171   1HH2  ARG  25          1HH2      ARG  25  28.632   2.463  -4.169
  172   2HH2  ARG  25          2HH2      ARG  25  28.943   3.662  -5.382
  173    H    CYS  26           H        CYS  26  21.977   2.784  -0.404
  174    HA   CYS  26           HA       CYS  26  19.444   1.590   0.225
  175   1HB   CYS  26          2HB       CYS  26  20.826   4.159   0.669
  176   2HB   CYS  26          1HB       CYS  26  19.236   3.895   1.445
  177    H    TYR  27           H        TYR  27  17.295   2.438  -0.573
  178    HA   TYR  27           HA       TYR  27  17.385   3.177  -3.330
  179   1HB   TYR  27          2HB       TYR  27  15.350   2.251  -1.566
  180   2HB   TYR  27          1HB       TYR  27  14.814   3.856  -1.992
  181    HD1  TYR  27           HD1      TYR  27  15.410   4.374  -4.688
  182    HD2  TYR  27           HD2      TYR  27  14.469   0.602  -2.952
  183    HE1  TYR  27           HE1      TYR  27  14.665   3.540  -6.865
  184    HE2  TYR  27           HE2      TYR  27  13.732  -0.227  -5.109
  185    HH   TYR  27           HH       TYR  27  13.510   0.238  -7.335
  186   1HN   NH2  28          1HT       TYR  27  16.511   5.163  -0.508
  187   2HN   NH2  28          2HT       TYR  27  16.827   6.641  -1.293
   
  No H/Q in entry =         187
  Start of MODEL   12
    1   1H    CYS   1          1H        CYS   1  21.123   6.135  10.558
    2   2H    CYS   1          3H        CYS   1  19.550   5.776  11.087
    3   3H    CYS   1          2H        CYS   1  20.826   4.688  11.404
    4    HA   CYS   1           HA       CYS   1  20.489   3.654   9.504
    5   1HB   CYS   1          2HB       CYS   1  18.477   4.332   8.143
    6   2HB   CYS   1          1HB       CYS   1  18.128   4.191   9.840
    7    H    LYS   2           H        LYS   2  20.199   4.125   7.000
    8    HA   LYS   2           HA       LYS   2  22.256   6.160   6.304
    9   1HB   LYS   2          2HB       LYS   2  21.660   3.472   5.011
   10   2HB   LYS   2          1HB       LYS   2  22.670   4.668   4.318
   11   1HG   LYS   2          2HG       LYS   2  23.018   3.525   7.120
   12   2HG   LYS   2          1HG       LYS   2  23.746   2.841   5.677
   13   1HD   LYS   2          2HD       LYS   2  24.998   4.992   5.301
   14   2HD   LYS   2          1HD       LYS   2  24.276   5.665   6.751
   15   1HE   LYS   2          2HE       LYS   2  26.031   3.173   6.717
   16   2HE   LYS   2          1HE       LYS   2  26.555   4.778   7.197
   17   1HZ   LYS   2          1HZ       LYS   2  24.204   4.205   8.597
   18   2HZ   LYS   2          3HZ       LYS   2  25.224   2.860   8.757
   19   3HZ   LYS   2          2HZ       LYS   2  25.769   4.400   9.210
   20    H    SER   3           H        SER   3  22.411   6.924   4.202
   21    HA   SER   3           HA       SER   3  19.916   7.908   3.182
   22   1HB   SER   3          2HB       SER   3  21.758   9.307   1.851
   23   2HB   SER   3          1HB       SER   3  21.623   9.597   3.596
   24    HG   SER   3           HG       SER   3  23.257   7.474   2.562
   25    HA   HYP   4           HA       HYP   4  20.182   5.427  -0.582
   26   1HB   HYP   4          1HB       HYP   4  18.655   6.541  -1.965
   27   2HB   HYP   4          2HB       HYP   4  19.848   7.760  -2.321
   28   1HD   HYP   4          1HD       HYP   4  18.164   7.284   1.325
   29   2HD   HYP   4          2HD       HYP   4  19.172   8.734   1.481
   30    HOD  HYP   4           HOD2     HYP   4  16.899   8.257   0.147
   31    HG   HYP   4           HG       HYP   4  18.965   9.331  -0.806
   32    H    GLY   5           H        GLY   5  21.753   4.828  -1.775
   33   1HA   GLY   5          2HA       GLY   5  23.755   5.127  -3.085
   34   2HA   GLY   5          1HA       GLY   5  24.012   6.710  -2.324
   35    H    SER   6           H        SER   6  23.203   5.313   0.291
   36    HA   SER   6           HA       SER   6  25.916   4.601   1.094
   37   1HB   SER   6          2HB       SER   6  23.190   4.032   2.410
   38   2HB   SER   6          1HB       SER   6  24.738   3.893   3.258
   39    HG   SER   6           HG       SER   6  24.897   6.055   3.328
   40    H    SER   7           H        SER   7  26.344   2.141   1.442
   41    HA   SER   7           HA       SER   7  24.969   0.652  -0.673
   42   1HB   SER   7          2HB       SER   7  27.302  -0.429   1.020
   43   2HB   SER   7          1HB       SER   7  26.918  -0.814  -0.661
   44    HG   SER   7           HG       SER   7  27.173   1.717  -0.763
   45    H    CYS   8           H        CYS   8  23.572  -0.947  -0.370
   46    HA   CYS   8           HA       CYS   8  23.217  -2.013   2.420
   47   1HB   CYS   8          2HB       CYS   8  20.723  -2.100   1.801
   48   2HB   CYS   8          1HB       CYS   8  21.364  -0.531   2.021
   49    H    SER   9           H        SER   9  21.364  -3.680   2.158
   50    HA   SER   9           HA       SER   9  21.965  -5.849   0.269
   51   1HB   SER   9          2HB       SER   9  21.574  -7.386   2.329
   52   2HB   SER   9          1HB       SER   9  23.014  -6.384   2.546
   53    HG   SER   9           HG       SER   9  20.568  -6.204   3.799
   54    HA   HYP  10           HA       HYP  10  17.906  -5.264  -0.881
   55   1HB   HYP  10          1HB       HYP  10  17.531  -7.397  -1.752
   56   2HB   HYP  10          2HB       HYP  10  16.686  -7.775  -0.250
   57   1HD   HYP  10          1HD       HYP  10  20.274  -7.206  -1.382
   58   2HD   HYP  10          2HD       HYP  10  20.844  -7.775   0.210
   59    HOD  HYP  10           HOD2     HYP  10  18.210  -9.760  -1.349
   60    HG   HYP  10           HG       HYP  10  18.695  -8.786   0.743
   61    H    THR  11           H        THR  11  18.375  -6.764   2.072
   62    HA   THR  11           HA       THR  11  16.293  -5.035   3.371
   63    HB   THR  11           HB       THR  11  15.291  -7.256   3.007
   64    HG1  THR  11           HG1      THR  11  16.033  -6.483   5.581
   65   1HG2  THR  11          2HG2      THR  11  17.619  -8.363   4.683
   66   2HG2  THR  11          1HG2      THR  11  16.244  -9.277   4.090
   67   3HG2  THR  11          3HG2      THR  11  17.432  -8.662   2.959
   68    H    SER  12           H        SER  12  19.160  -4.341   3.476
   69    HA   SER  12           HA       SER  12  20.566  -5.363   5.634
   70   1HB   SER  12          2HB       SER  12  21.385  -3.534   4.097
   71   2HB   SER  12          1HB       SER  12  20.330  -2.392   4.922
   72    HG   SER  12           HG       SER  12  22.482  -3.895   5.950
   73    H    TYR  13           H        TYR  13  18.117  -3.012   5.850
   74    HA   TYR  13           HA       TYR  13  16.576  -2.399   7.517
   75   1HB   TYR  13          2HB       TYR  13  18.099  -4.502   9.220
   76   2HB   TYR  13          1HB       TYR  13  17.232  -3.233  10.034
   77    HD1  TYR  13           HD1      TYR  13  16.827  -6.026   7.616
   78    HD2  TYR  13           HD2      TYR  13  14.863  -3.200  10.100
   79    HE1  TYR  13           HE1      TYR  13  14.676  -7.171   7.231
   80    HE2  TYR  13           HE2      TYR  13  12.730  -4.339   9.729
   81    HH   TYR  13           HH       TYR  13  11.834  -6.424   9.027
   82    H    ASN  14           H        ASN  14  19.213  -1.527   6.596
   83    HA   ASN  14           HA       ASN  14  19.901   0.361   8.792
   84   1HB   ASN  14          2HB       ASN  14  21.681  -1.299   8.293
   85   2HB   ASN  14          1HB       ASN  14  21.706  -0.794   6.622
   86   1HD2  ASN  14          2HD2      ASN  14  24.044   1.708   7.330
   87   2HD2  ASN  14          1HD2      ASN  14  23.405   0.599   6.210
   88    H    CYS  15           H        CYS  15  18.148   0.494   6.090
   89    HA   CYS  15           HA       CYS  15  19.377   3.082   5.191
   90   1HB   CYS  15          2HB       CYS  15  17.459   1.266   3.629
   91   2HB   CYS  15          1HB       CYS  15  18.153   2.766   3.124
   92    H    CYS  16           H        CYS  16  18.277   4.884   5.451
   93    HA   CYS  16           HA       CYS  16  16.026   4.972   7.220
   94   1HB   CYS  16          2HB       CYS  16  16.894   7.133   5.281
   95   2HB   CYS  16          1HB       CYS  16  15.955   7.339   6.737
   96    H    ARG  17           H        ARG  17  15.993   4.149   4.011
   97    HA   ARG  17           HA       ARG  17  13.058   4.649   3.783
   98   1HB   ARG  17          2HB       ARG  17  15.232   5.124   1.739
   99   2HB   ARG  17          1HB       ARG  17  13.585   4.825   1.207
  100   1HG   ARG  17          2HG       ARG  17  13.544   7.145   1.327
  101   2HG   ARG  17          1HG       ARG  17  13.027   6.796   2.959
  102   1HD   ARG  17          2HD       ARG  17  15.519   6.984   3.621
  103   2HD   ARG  17          1HD       ARG  17  15.796   7.591   1.996
  104    HE   ARG  17           HE       ARG  17  14.115   9.397   2.527
  105   1HH1  ARG  17          2HH1      ARG  17  14.004   7.590   5.180
  106   2HH1  ARG  17          1HH1      ARG  17  14.528   8.784   6.322
  107   1HH2  ARG  17          1HH2      ARG  17  15.558  10.919   3.713
  108   2HH2  ARG  17          2HH2      ARG  17  15.476  10.803   5.442
  109    H    SER  18           H        SER  18  15.672   2.791   2.266
  110    HA   SER  18           HA       SER  18  14.835   0.204   2.691
  111   1HB   SER  18          2HB       SER  18  12.708   0.780   1.298
  112   2HB   SER  18          1HB       SER  18  13.771   1.181  -0.050
  113    HG   SER  18           HG       SER  18  12.901  -1.188   0.562
  114    H    CYS  19           H        CYS  19  15.641  -1.016   0.451
  115    HA   CYS  19           HA       CYS  19  18.399   0.050  -0.028
  116   1HB   CYS  19          2HB       CYS  19  18.251  -2.176   1.029
  117   2HB   CYS  19          1HB       CYS  19  17.347  -2.756  -0.341
  118    H    ASN  20           H        ASN  20  19.350  -0.613  -2.258
  119    HA   ASN  20           HA       ASN  20  17.367  -0.296  -4.430
  120   1HB   ASN  20          2HB       ASN  20  18.834   1.685  -4.056
  121   2HB   ASN  20          1HB       ASN  20  20.208   0.671  -4.391
  122   1HD2  ASN  20          2HD2      ASN  20  17.995   0.461  -7.659
  123   2HD2  ASN  20          1HD2      ASN  20  17.592  -0.420  -6.283
  124    HA   HYP  21           HA       HYP  21  19.244  -4.457  -4.468
  125   1HB   HYP  21          1HB       HYP  21  17.179  -5.539  -4.390
  126   2HB   HYP  21          2HB       HYP  21  17.178  -5.445  -6.153
  127   1HD   HYP  21          1HD       HYP  21  16.682  -3.188  -3.155
  128   2HD   HYP  21          2HD       HYP  21  16.200  -1.850  -4.220
  129    HOD  HYP  21           HOD2     HYP  21  14.548  -4.860  -5.200
  130    HG   HYP  21           HG       HYP  21  15.888  -3.342  -6.134
  131    H    TYR  22           H        TYR  22  19.113  -2.047  -6.787
  132    HA   TYR  22           HA       TYR  22  20.562  -3.906  -8.583
  133   1HB   TYR  22          2HB       TYR  22  18.683  -1.557  -9.298
  134   2HB   TYR  22          1HB       TYR  22  19.789  -2.201 -10.496
  135    HD1  TYR  22           HD1      TYR  22  17.149  -3.421  -8.077
  136    HD2  TYR  22           HD2      TYR  22  19.068  -3.969 -11.843
  137    HE1  TYR  22           HE1      TYR  22  15.597  -5.238  -8.610
  138    HE2  TYR  22           HE2      TYR  22  17.510  -5.779 -12.369
  139    HH   TYR  22           HH       TYR  22  16.097  -7.417 -11.065
  140    H    THR  23           H        THR  23  21.264  -1.933  -6.566
  141    HA   THR  23           HA       THR  23  23.754  -1.127  -7.976
  142    HB   THR  23           HB       THR  23  23.584   1.174  -6.827
  143    HG1  THR  23           HG1      THR  23  21.168   1.369  -6.222
  144   1HG2  THR  23          1HG2      THR  23  22.562   0.910  -9.190
  145   2HG2  THR  23          3HG2      THR  23  21.031   0.541  -8.427
  146   3HG2  THR  23          2HG2      THR  23  21.750   2.129  -8.224
  147    H    LYS  24           H        LYS  24  21.730  -1.433  -5.214
  148    HA   LYS  24           HA       LYS  24  21.960  -2.619  -3.234
  149   1HB   LYS  24          2HB       LYS  24  25.010  -2.681  -3.547
  150   2HB   LYS  24          1HB       LYS  24  24.036  -3.634  -2.475
  151   1HG   LYS  24          2HG       LYS  24  22.982  -4.852  -4.416
  152   2HG   LYS  24          1HG       LYS  24  24.114  -4.041  -5.490
  153   1HD   LYS  24          2HD       LYS  24  26.025  -4.963  -4.148
  154   2HD   LYS  24          1HD       LYS  24  24.878  -5.838  -3.144
  155   1HE   LYS  24          2HE       LYS  24  24.073  -7.080  -5.165
  156   2HE   LYS  24          1HE       LYS  24  25.256  -6.223  -6.144
  157   1HZ   LYS  24          1HZ       LYS  24  26.572  -7.252  -3.908
  158   2HZ   LYS  24          3HZ       LYS  24  25.636  -8.507  -4.562
  159   3HZ   LYS  24          2HZ       LYS  24  26.772  -7.699  -5.536
  160    H    ARG  25           H        ARG  25  21.722  -0.117  -3.687
  161    HA   ARG  25           HA       ARG  25  23.406   1.418  -1.724
  162   1HB   ARG  25          2HB       ARG  25  21.748   2.559  -3.910
  163   2HB   ARG  25          1HB       ARG  25  22.903   3.308  -2.840
  164   1HG   ARG  25          2HG       ARG  25  23.795   1.120  -4.707
  165   2HG   ARG  25          1HG       ARG  25  23.683   2.781  -5.266
  166   1HD   ARG  25          2HD       ARG  25  25.213   3.455  -3.406
  167   2HD   ARG  25          1HD       ARG  25  25.347   1.758  -2.941
  168    HE   ARG  25           HE       ARG  25  26.374   1.299  -5.103
  169   1HH1  ARG  25          1HH2      ARG  25  25.711   2.817  -7.077
  170   2HH1  ARG  25          2HH2      ARG  25  26.738   4.208  -7.177
  171   1HH2  ARG  25          2HH1      ARG  25  27.676   3.712  -3.781
  172   2HH2  ARG  25          1HH1      ARG  25  27.963   4.752  -5.137
  173    H    CYS  26           H        CYS  26  22.017   2.784  -0.352
  174    HA   CYS  26           HA       CYS  26  19.538   1.520   0.302
  175   1HB   CYS  26          2HB       CYS  26  20.879   4.088   0.778
  176   2HB   CYS  26          1HB       CYS  26  19.281   3.824   1.525
  177    H    TYR  27           H        TYR  27  17.477   2.152  -0.540
  178    HA   TYR  27           HA       TYR  27  17.360   2.988  -3.240
  179   1HB   TYR  27          2HB       TYR  27  15.485   1.901  -1.543
  180   2HB   TYR  27          1HB       TYR  27  14.920   3.571  -1.550
  181    HD1  TYR  27           HD1      TYR  27  15.161   4.616  -4.183
  182    HD2  TYR  27           HD2      TYR  27  14.431   0.558  -3.093
  183    HE1  TYR  27           HE1      TYR  27  14.185   4.193  -6.365
  184    HE2  TYR  27           HE2      TYR  27  13.477   0.142  -5.268
  185    HH   TYR  27           HH       TYR  27  12.761   1.095  -7.199
  186   1HN   NH2  28          1HT       TYR  27  16.662   4.989  -0.387
  187   2HN   NH2  28          2HT       TYR  27  16.866   6.459  -1.218
   
  No H/Q in entry =         187
  Start of MODEL   13
    1   1H    CYS   1          1H        CYS   1  21.254   5.953  10.687
    2   2H    CYS   1          3H        CYS   1  19.680   5.559  11.200
    3   3H    CYS   1          2H        CYS   1  20.968   4.484  11.494
    4    HA   CYS   1           HA       CYS   1  20.647   3.496   9.560
    5   1HB   CYS   1          2HB       CYS   1  18.629   4.149   8.237
    6   2HB   CYS   1          1HB       CYS   1  18.289   4.018   9.935
    7    H    LYS   2           H        LYS   2  20.289   4.120   7.052
    8    HA   LYS   2           HA       LYS   2  22.226   6.273   6.395
    9   1HB   LYS   2          2HB       LYS   2  22.106   3.410   5.440
   10   2HB   LYS   2          1HB       LYS   2  22.852   4.627   4.487
   11   1HG   LYS   2          2HG       LYS   2  24.031   5.233   6.839
   12   2HG   LYS   2          1HG       LYS   2  23.392   3.703   7.374
   13   1HD   LYS   2          2HD       LYS   2  24.710   2.633   5.385
   14   2HD   LYS   2          1HD       LYS   2  25.464   4.203   5.221
   15   1HE   LYS   2          2HE       LYS   2  26.301   4.169   7.511
   16   2HE   LYS   2          1HE       LYS   2  25.449   2.684   7.881
   17   1HZ   LYS   2          3HZ       LYS   2  27.059   2.290   5.595
   18   2HZ   LYS   2          2HZ       LYS   2  27.997   2.978   6.826
   19   3HZ   LYS   2          1HZ       LYS   2  27.158   1.537   7.110
   20    H    SER   3           H        SER   3  22.133   7.273   4.382
   21    HA   SER   3           HA       SER   3  19.444   7.336   3.315
   22   1HB   SER   3          2HB       SER   3  21.905   9.108   2.836
   23   2HB   SER   3          1HB       SER   3  20.294   9.465   2.207
   24    HG   SER   3           HG       SER   3  21.225   9.778   4.737
   25    HA   HYP   4           HA       HYP   4  20.113   5.344  -0.608
   26   1HB   HYP   4          1HB       HYP   4  18.645   6.557  -1.971
   27   2HB   HYP   4          2HB       HYP   4  19.848   7.802  -2.192
   28   1HD   HYP   4          1HD       HYP   4  17.951   6.731   1.093
   29   2HD   HYP   4          2HD       HYP   4  18.666   8.228   1.707
   30    HOD  HYP   4           HOD2     HYP   4  16.799   8.416   0.148
   31    HG   HYP   4           HG       HYP   4  18.983   9.202  -0.436
   32    H    GLY   5           H        GLY   5  21.626   4.773  -1.910
   33   1HA   GLY   5          2HA       GLY   5  23.682   5.067  -3.142
   34   2HA   GLY   5          1HA       GLY   5  23.994   6.565  -2.253
   35    H    SER   6           H        SER   6  23.247   5.288   0.251
   36    HA   SER   6           HA       SER   6  25.848   4.384   1.134
   37   1HB   SER   6          2HB       SER   6  23.057   3.910   2.327
   38   2HB   SER   6          1HB       SER   6  24.562   3.532   3.176
   39    HG   SER   6           HG       SER   6  23.442   5.990   2.473
   40    H    SER   7           H        SER   7  26.346   2.032   1.389
   41    HA   SER   7           HA       SER   7  24.917   0.507  -0.653
   42   1HB   SER   7          2HB       SER   7  27.215  -0.651   0.982
   43   2HB   SER   7          1HB       SER   7  26.839  -0.902  -0.732
   44    HG   SER   7           HG       SER   7  27.746   0.942  -1.219
   45    H    CYS   8           H        CYS   8  23.524  -1.093  -0.340
   46    HA   CYS   8           HA       CYS   8  23.241  -2.067   2.486
   47   1HB   CYS   8          2HB       CYS   8  20.730  -2.165   1.845
   48   2HB   CYS   8          1HB       CYS   8  21.420  -0.622   2.179
   49    H    SER   9           H        SER   9  21.517  -3.694   2.529
   50    HA   SER   9           HA       SER   9  22.035  -6.065   0.798
   51   1HB   SER   9          2HB       SER   9  22.900  -6.094   3.348
   52   2HB   SER   9          1HB       SER   9  21.184  -6.004   3.757
   53    HG   SER   9           HG       SER   9  22.505  -8.196   3.137
   54    HA   HYP  10           HA       HYP  10  17.992  -5.344  -0.508
   55   1HB   HYP  10          1HB       HYP  10  17.720  -7.508  -1.394
   56   2HB   HYP  10          2HB       HYP  10  16.619  -7.768  -0.040
   57   1HD   HYP  10          1HD       HYP  10  20.321  -7.561  -0.769
   58   2HD   HYP  10          2HD       HYP  10  20.714  -8.009   0.903
   59    HOD  HYP  10           HOD2     HYP  10  18.515  -9.351  -1.355
   60    HG   HYP  10           HG       HYP  10  18.427  -8.728   1.375
   61    H    THR  11           H        THR  11  18.365  -6.856   2.443
   62    HA   THR  11           HA       THR  11  16.273  -5.193   3.770
   63    HB   THR  11           HB       THR  11  16.041  -7.400   5.270
   64    HG1  THR  11           HG1      THR  11  16.746  -8.893   3.108
   65   1HG2  THR  11          1HG2      THR  11  15.240  -7.523   2.287
   66   2HG2  THR  11          3HG2      THR  11  14.465  -8.411   3.599
   67   3HG2  THR  11          2HG2      THR  11  14.315  -6.667   3.501
   68    H    SER  12           H        SER  12  18.992  -4.266   3.704
   69    HA   SER  12           HA       SER  12  20.508  -5.214   5.913
   70   1HB   SER  12          2HB       SER  12  20.396  -2.418   4.663
   71   2HB   SER  12          1HB       SER  12  21.453  -2.807   6.027
   72    HG   SER  12           HG       SER  12  22.721  -3.737   4.682
   73    H    TYR  13           H        TYR  13  17.822  -2.999   5.940
   74    HA   TYR  13           HA       TYR  13  16.515  -2.129   7.692
   75   1HB   TYR  13          2HB       TYR  13  17.986  -4.402   9.141
   76   2HB   TYR  13          1HB       TYR  13  17.334  -3.124  10.124
   77    HD1  TYR  13           HD1      TYR  13  16.262  -5.325   7.259
   78    HD2  TYR  13           HD2      TYR  13  15.161  -3.349  10.861
   79    HE1  TYR  13           HE1      TYR  13  14.025  -6.351   7.150
   80    HE2  TYR  13           HE2      TYR  13  12.947  -4.371  10.752
   81    HH   TYR  13           HH       TYR  13  11.437  -5.359   9.128
   82    H    ASN  14           H        ASN  14  19.029  -1.402   6.613
   83    HA   ASN  14           HA       ASN  14  20.084   0.330   8.737
   84   1HB   ASN  14          2HB       ASN  14  21.770  -1.333   7.938
   85   2HB   ASN  14          1HB       ASN  14  21.583  -0.717   6.297
   86   1HD2  ASN  14          2HD2      ASN  14  24.002   1.750   6.872
   87   2HD2  ASN  14          1HD2      ASN  14  23.213   0.779   5.721
   88    H    CYS  15           H        CYS  15  18.417   0.358   5.826
   89    HA   CYS  15           HA       CYS  15  19.420   3.055   5.099
   90   1HB   CYS  15          2HB       CYS  15  17.490   1.286   3.509
   91   2HB   CYS  15          1HB       CYS  15  18.196   2.795   3.057
   92    H    CYS  16           H        CYS  16  18.357   4.739   5.562
   93    HA   CYS  16           HA       CYS  16  16.021   4.793   7.230
   94   1HB   CYS  16          2HB       CYS  16  16.930   7.025   5.411
   95   2HB   CYS  16          1HB       CYS  16  16.023   7.187   6.879
   96    H    ARG  17           H        ARG  17  16.143   4.109   4.016
   97    HA   ARG  17           HA       ARG  17  13.272   4.841   3.554
   98   1HB   ARG  17          2HB       ARG  17  15.592   4.885   1.630
   99   2HB   ARG  17          1HB       ARG  17  13.923   5.084   1.112
  100   1HG   ARG  17          2HG       ARG  17  15.284   6.905   3.148
  101   2HG   ARG  17          1HG       ARG  17  15.333   7.208   1.426
  102   1HD   ARG  17          2HD       ARG  17  12.774   7.215   1.436
  103   2HD   ARG  17          1HD       ARG  17  12.870   7.132   3.200
  104    HE   ARG  17           HE       ARG  17  14.066   9.269   3.188
  105   1HH1  ARG  17          1HH2      ARG  17  15.130   9.166   0.460
  106   2HH1  ARG  17          2HH2      ARG  17  14.152  10.297  -0.402
  107   1HH2  ARG  17          2HH1      ARG  17  11.705  10.185   2.152
  108   2HH2  ARG  17          1HH1      ARG  17  12.060  10.914   0.621
  109    H    SER  18           H        SER  18  15.764   2.800   2.245
  110    HA   SER  18           HA       SER  18  14.905   0.238   2.533
  111   1HB   SER  18          2HB       SER  18  13.482   1.570   0.176
  112   2HB   SER  18          1HB       SER  18  13.964  -0.117   0.001
  113    HG   SER  18           HG       SER  18  12.261   1.081   1.850
  114    H    CYS  19           H        CYS  19  15.734  -1.055   0.363
  115    HA   CYS  19           HA       CYS  19  18.403   0.114  -0.240
  116   1HB   CYS  19          2HB       CYS  19  18.346  -2.060   0.972
  117   2HB   CYS  19          1HB       CYS  19  17.477  -2.755  -0.371
  118    H    ASN  20           H        ASN  20  19.265  -0.502  -2.459
  119    HA   ASN  20           HA       ASN  20  17.166  -0.519  -4.545
  120   1HB   ASN  20          2HB       ASN  20  18.303   1.662  -4.388
  121   2HB   ASN  20          1HB       ASN  20  19.822   0.845  -4.650
  122   1HD2  ASN  20          2HD2      ASN  20  17.640   0.059  -7.872
  123   2HD2  ASN  20          1HD2      ASN  20  17.301  -0.734  -6.420
  124    HA   HYP  21           HA       HYP  21  19.289  -4.539  -4.867
  125   1HB   HYP  21          1HB       HYP  21  17.321  -5.709  -5.058
  126   2HB   HYP  21          2HB       HYP  21  17.219  -5.233  -6.757
  127   1HD   HYP  21          1HD       HYP  21  16.950  -3.627  -3.361
  128   2HD   HYP  21          2HD       HYP  21  16.269  -2.157  -4.082
  129    HOD  HYP  21           HOD2     HYP  21  14.624  -4.945  -5.461
  130    HG   HYP  21           HG       HYP  21  15.862  -3.257  -6.216
  131    H    TYR  22           H        TYR  22  19.230  -1.964  -7.084
  132    HA   TYR  22           HA       TYR  22  20.866  -3.705  -8.851
  133   1HB   TYR  22          2HB       TYR  22  18.958  -1.401  -9.623
  134   2HB   TYR  22          1HB       TYR  22  20.111  -2.060 -10.775
  135    HD1  TYR  22           HD1      TYR  22  20.125  -4.744 -10.853
  136    HD2  TYR  22           HD2      TYR  22  16.767  -2.401  -9.673
  137    HE1  TYR  22           HE1      TYR  22  18.649  -6.604 -11.373
  138    HE2  TYR  22           HE2      TYR  22  15.284  -4.284 -10.204
  139    HH   TYR  22           HH       TYR  22  16.526  -7.398 -11.318
  140    H    THR  23           H        THR  23  21.238  -1.604  -6.752
  141    HA   THR  23           HA       THR  23  23.786  -0.621  -7.934
  142    HB   THR  23           HB       THR  23  23.284   1.594  -6.595
  143    HG1  THR  23           HG1      THR  23  20.732   1.481  -6.508
  144   1HG2  THR  23          2HG2      THR  23  22.765   1.412  -9.129
  145   2HG2  THR  23          1HG2      THR  23  21.157   0.853  -8.712
  146   3HG2  THR  23          3HG2      THR  23  21.661   2.482  -8.292
  147    H    LYS  24           H        LYS  24  21.605  -1.333  -5.329
  148    HA   LYS  24           HA       LYS  24  21.822  -2.497  -3.389
  149   1HB   LYS  24          2HB       LYS  24  24.863  -2.635  -3.686
  150   2HB   LYS  24          1HB       LYS  24  23.845  -3.662  -2.737
  151   1HG   LYS  24          2HG       LYS  24  22.819  -4.771  -4.663
  152   2HG   LYS  24          1HG       LYS  24  23.744  -3.793  -5.778
  153   1HD   LYS  24          2HD       LYS  24  25.529  -5.105  -3.831
  154   2HD   LYS  24          1HD       LYS  24  24.529  -6.289  -4.644
  155   1HE   LYS  24          2HE       LYS  24  26.176  -4.153  -6.067
  156   2HE   LYS  24          1HE       LYS  24  26.691  -5.821  -5.848
  157   1HZ   LYS  24          2HZ       LYS  24  24.105  -5.849  -6.935
  158   2HZ   LYS  24          1HZ       LYS  24  25.041  -4.762  -7.843
  159   3HZ   LYS  24          3HZ       LYS  24  25.555  -6.368  -7.650
  160    H    ARG  25           H        ARG  25  21.763   0.067  -3.874
  161    HA   ARG  25           HA       ARG  25  23.336   1.306  -1.667
  162   1HB   ARG  25          2HB       ARG  25  22.381   2.653  -4.187
  163   2HB   ARG  25          1HB       ARG  25  23.321   3.222  -2.805
  164   1HG   ARG  25          2HG       ARG  25  25.107   1.510  -3.230
  165   2HG   ARG  25          1HG       ARG  25  24.315   1.053  -4.710
  166   1HD   ARG  25          2HD       ARG  25  24.671   3.444  -5.549
  167   2HD   ARG  25          1HD       ARG  25  25.557   3.741  -4.054
  168    HE   ARG  25           HE       ARG  25  26.391   1.681  -6.074
  169   1HH1  ARG  25          2HH1      ARG  25  27.148   4.577  -4.520
  170   2HH1  ARG  25          1HH1      ARG  25  28.832   4.261  -4.346
  171   1HH2  ARG  25          1HH2      ARG  25  28.429   0.999  -5.602
  172   2HH2  ARG  25          2HH2      ARG  25  29.616   2.118  -5.013
  173    H    CYS  26           H        CYS  26  21.976   2.679  -0.381
  174    HA   CYS  26           HA       CYS  26  19.404   1.668   0.078
  175   1HB   CYS  26          2HB       CYS  26  20.880   4.170   0.675
  176   2HB   CYS  26          1HB       CYS  26  19.268   3.890   1.402
  177    H    TYR  27           H        TYR  27  17.429   2.307  -0.709
  178    HA   TYR  27           HA       TYR  27  17.201   3.130  -3.383
  179   1HB   TYR  27          2HB       TYR  27  15.379   2.088  -1.560
  180   2HB   TYR  27          1HB       TYR  27  14.834   3.763  -1.598
  181    HD1  TYR  27           HD1      TYR  27  15.985   1.063  -3.830
  182    HD2  TYR  27           HD2      TYR  27  13.349   4.366  -3.425
  183    HE1  TYR  27           HE1      TYR  27  15.049   0.547  -6.005
  184    HE2  TYR  27           HE2      TYR  27  12.399   3.846  -5.628
  185    HH   TYR  27           HH       TYR  27  12.890   0.945  -7.211
  186   1HN   NH2  28          1HT       TYR  27  16.490   5.146  -0.542
  187   2HN   NH2  28          2HT       TYR  27  16.760   6.608  -1.363
   
  No H/Q in entry =         187
  Start of MODEL   14
    1   1H    CYS   1          2H        CYS   1  21.095   5.877  10.575
    2   2H    CYS   1          1H        CYS   1  19.495   5.584  11.065
    3   3H    CYS   1          3H        CYS   1  20.701   4.411  11.345
    4    HA   CYS   1           HA       CYS   1  20.340   3.495   9.390
    5   1HB   CYS   1          2HB       CYS   1  18.389   4.329   8.048
    6   2HB   CYS   1          1HB       CYS   1  18.011   4.171   9.738
    7    H    LYS   2           H        LYS   2  20.138   4.101   6.914
    8    HA   LYS   2           HA       LYS   2  22.300   6.071   6.336
    9   1HB   LYS   2          2HB       LYS   2  21.600   3.503   4.873
   10   2HB   LYS   2          1HB       LYS   2  22.746   4.648   4.367
   11   1HG   LYS   2          2HG       LYS   2  22.715   3.175   7.055
   12   2HG   LYS   2          1HG       LYS   2  23.626   2.633   5.664
   13   1HD   LYS   2          2HD       LYS   2  24.993   4.742   5.774
   14   2HD   LYS   2          1HD       LYS   2  24.080   5.234   7.196
   15   1HE   LYS   2          2HE       LYS   2  24.821   3.245   8.437
   16   2HE   LYS   2          1HE       LYS   2  25.704   2.659   7.024
   17   1HZ   LYS   2          2HZ       LYS   2  26.479   5.300   7.534
   18   2HZ   LYS   2          1HZ       LYS   2  26.554   4.438   8.993
   19   3HZ   LYS   2          3HZ       LYS   2  27.415   3.886   7.641
   20    H    SER   3           H        SER   3  22.421   7.029   4.230
   21    HA   SER   3           HA       SER   3  19.793   7.887   3.304
   22   1HB   SER   3          2HB       SER   3  22.622   8.773   2.498
   23   2HB   SER   3          1HB       SER   3  21.136   9.634   2.093
   24    HG   SER   3           HG       SER   3  21.221  10.485   4.028
   25    HA   HYP   4           HA       HYP   4  20.102   5.479  -0.526
   26   1HB   HYP   4          1HB       HYP   4  18.701   6.688  -1.969
   27   2HB   HYP   4          2HB       HYP   4  19.951   7.877  -2.219
   28   1HD   HYP   4          1HD       HYP   4  18.130   7.397   1.390
   29   2HD   HYP   4          2HD       HYP   4  19.156   8.832   1.515
   30    HOD  HYP   4           HOD2     HYP   4  17.002   7.537   0.006
   31    HG   HYP   4           HG       HYP   4  18.912   9.412  -0.753
   32    H    GLY   5           H        GLY   5  21.682   4.882  -1.890
   33   1HA   GLY   5          2HA       GLY   5  23.796   5.202  -3.052
   34   2HA   GLY   5          1HA       GLY   5  24.053   6.694  -2.136
   35    H    SER   6           H        SER   6  23.260   5.324   0.381
   36    HA   SER   6           HA       SER   6  25.886   4.418   1.182
   37   1HB   SER   6          2HB       SER   6  23.120   3.898   2.409
   38   2HB   SER   6          1HB       SER   6  24.639   3.582   3.266
   39    HG   SER   6           HG       SER   6  24.779   5.694   3.657
   40    H    SER   7           H        SER   7  26.336   2.049   1.420
   41    HA   SER   7           HA       SER   7  24.856   0.607  -0.678
   42   1HB   SER   7          2HB       SER   7  27.449   0.490  -0.597
   43   2HB   SER   7          1HB       SER   7  27.267  -0.501   0.860
   44    HG   SER   7           HG       SER   7  25.659  -1.262  -1.289
   45    H    CYS   8           H        CYS   8  23.481  -0.951  -0.365
   46    HA   CYS   8           HA       CYS   8  23.136  -1.951   2.446
   47   1HB   CYS   8          2HB       CYS   8  20.691  -2.140   1.759
   48   2HB   CYS   8          1HB       CYS   8  21.294  -0.537   1.900
   49    H    SER   9           H        SER   9  21.438  -3.669   2.316
   50    HA   SER   9           HA       SER   9  22.117  -6.003   0.613
   51   1HB   SER   9          2HB       SER   9  23.029  -6.074   3.132
   52   2HB   SER   9          1HB       SER   9  21.330  -5.969   3.599
   53    HG   SER   9           HG       SER   9  21.432  -8.084   3.371
   54    HA   HYP  10           HA       HYP  10  18.064  -5.235  -0.669
   55   1HB   HYP  10          1HB       HYP  10  17.567  -7.310  -1.589
   56   2HB   HYP  10          2HB       HYP  10  16.716  -7.693  -0.096
   57   1HD   HYP  10          1HD       HYP  10  20.440  -7.296  -1.098
   58   2HD   HYP  10          2HD       HYP  10  20.833  -7.909   0.530
   59    HOD  HYP  10           HOD2     HYP  10  18.161  -9.708  -1.316
   60    HG   HYP  10           HG       HYP  10  18.626  -8.900   0.818
   61    H    THR  11           H        THR  11  18.439  -6.780   2.272
   62    HA   THR  11           HA       THR  11  16.401  -5.020   3.623
   63    HB   THR  11           HB       THR  11  15.335  -7.180   3.305
   64    HG1  THR  11           HG1      THR  11  16.451  -6.941   5.899
   65   1HG2  THR  11          2HG2      THR  11  17.771  -8.415   4.719
   66   2HG2  THR  11          1HG2      THR  11  16.320  -9.267   4.226
   67   3HG2  THR  11          3HG2      THR  11  17.403  -8.622   3.013
   68    H    SER  12           H        SER  12  19.136  -4.243   3.626
   69    HA   SER  12           HA       SER  12  20.693  -5.329   5.735
   70   1HB   SER  12          2HB       SER  12  20.447  -2.373   4.937
   71   2HB   SER  12          1HB       SER  12  21.686  -3.027   6.025
   72    HG   SER  12           HG       SER  12  22.694  -3.622   4.278
   73    H    TYR  13           H        TYR  13  18.084  -3.190   5.746
   74    HA   TYR  13           HA       TYR  13  16.523  -2.533   7.347
   75   1HB   TYR  13          2HB       TYR  13  17.695  -4.958   8.538
   76   2HB   TYR  13          1HB       TYR  13  17.683  -3.726   9.777
   77    HD1  TYR  13           HD1      TYR  13  15.484  -5.198   7.114
   78    HD2  TYR  13           HD2      TYR  13  15.668  -3.406  10.973
   79    HE1  TYR  13           HE1      TYR  13  13.101  -5.599   7.402
   80    HE2  TYR  13           HE2      TYR  13  13.266  -3.816  11.262
   81    HH   TYR  13           HH       TYR  13  11.210  -4.432   8.875
   82    H    ASN  14           H        ASN  14  19.073  -1.549   6.500
   83    HA   ASN  14           HA       ASN  14  19.688   0.268   8.755
   84   1HB   ASN  14          2HB       ASN  14  21.505  -1.360   8.410
   85   2HB   ASN  14          1HB       ASN  14  21.648  -0.891   6.725
   86   1HD2  ASN  14          2HD2      ASN  14  24.018   1.514   7.593
   87   2HD2  ASN  14          1HD2      ASN  14  23.535   0.315   6.495
   88    H    CYS  15           H        CYS  15  18.062   0.531   6.010
   89    HA   CYS  15           HA       CYS  15  19.421   3.075   5.178
   90   1HB   CYS  15          2HB       CYS  15  17.390   1.404   3.647
   91   2HB   CYS  15          1HB       CYS  15  18.151   2.866   3.118
   92    H    CYS  16           H        CYS  16  18.287   4.922   5.387
   93    HA   CYS  16           HA       CYS  16  16.057   4.967   7.216
   94   1HB   CYS  16          2HB       CYS  16  16.837   7.145   5.260
   95   2HB   CYS  16          1HB       CYS  16  15.910   7.342   6.721
   96    H    ARG  17           H        ARG  17  16.076   4.304   3.943
   97    HA   ARG  17           HA       ARG  17  13.115   4.699   3.731
   98   1HB   ARG  17          2HB       ARG  17  15.287   5.183   1.673
   99   2HB   ARG  17          1HB       ARG  17  13.598   5.067   1.219
  100   1HG   ARG  17          2HG       ARG  17  13.103   6.960   2.837
  101   2HG   ARG  17          1HG       ARG  17  14.814   7.049   3.222
  102   1HD   ARG  17          2HD       ARG  17  15.359   7.660   0.910
  103   2HD   ARG  17          1HD       ARG  17  13.680   7.475   0.417
  104    HE   ARG  17           HE       ARG  17  13.115   9.332   2.005
  105   1HH1  ARG  17          1HH2      ARG  17  16.104   9.197   0.277
  106   2HH1  ARG  17          2HH2      ARG  17  16.615  10.735   0.820
  107   1HH2  ARG  17          2HH1      ARG  17  13.819  11.158   2.901
  108   2HH2  ARG  17          1HH1      ARG  17  15.258  11.940   2.337
  109    H    SER  18           H        SER  18  15.713   2.905   2.144
  110    HA   SER  18           HA       SER  18  14.886   0.286   2.529
  111   1HB   SER  18          2HB       SER  18  13.462   1.623   0.198
  112   2HB   SER  18          1HB       SER  18  14.058  -0.009  -0.076
  113    HG   SER  18           HG       SER  18  12.517   0.812   2.169
  114    H    CYS  19           H        CYS  19  15.822  -1.121   0.592
  115    HA   CYS  19           HA       CYS  19  18.539  -0.069   0.053
  116   1HB   CYS  19          2HB       CYS  19  18.344  -2.309   1.074
  117   2HB   CYS  19          1HB       CYS  19  17.369  -2.837  -0.268
  118    H    ASN  20           H        ASN  20  19.411  -0.598  -2.233
  119    HA   ASN  20           HA       ASN  20  17.326  -0.283  -4.307
  120   1HB   ASN  20          2HB       ASN  20  18.779   1.677  -3.991
  121   2HB   ASN  20          1HB       ASN  20  20.149   0.669  -4.374
  122   1HD2  ASN  20          2HD2      ASN  20  17.960   0.457  -7.613
  123   2HD2  ASN  20          1HD2      ASN  20  17.559  -0.468  -6.262
  124    HA   HYP  21           HA       HYP  21  19.176  -4.359  -4.506
  125   1HB   HYP  21          1HB       HYP  21  17.047  -5.325  -4.242
  126   2HB   HYP  21          2HB       HYP  21  17.170  -5.599  -5.984
  127   1HD   HYP  21          1HD       HYP  21  16.292  -2.701  -3.579
  128   2HD   HYP  21          2HD       HYP  21  16.126  -1.700  -5.047
  129    HOD  HYP  21           HOD2     HYP  21  14.513  -4.895  -5.351
  130    HG   HYP  21           HG       HYP  21  15.886  -3.565  -6.495
  131    H    TYR  22           H        TYR  22  19.207  -2.032  -6.727
  132    HA   TYR  22           HA       TYR  22  20.492  -3.889  -8.617
  133   1HB   TYR  22          2HB       TYR  22  18.213  -2.069  -9.132
  134   2HB   TYR  22          1HB       TYR  22  19.577  -1.485 -10.066
  135    HD1  TYR  22           HD2      TYR  22  18.292  -4.923  -9.194
  136    HD2  TYR  22           HD1      TYR  22  19.421  -2.216 -12.283
  137    HE1  TYR  22           HE2      TYR  22  17.860  -6.646 -10.848
  138    HE2  TYR  22           HE1      TYR  22  18.981  -3.956 -13.954
  139    HH   TYR  22           HH       TYR  22  17.394  -6.896 -13.202
  140    H    THR  23           H        THR  23  21.142  -1.793  -6.622
  141    HA   THR  23           HA       THR  23  23.670  -1.031  -8.010
  142    HB   THR  23           HB       THR  23  23.470   1.217  -6.808
  143    HG1  THR  23           HG1      THR  23  21.056   1.403  -6.217
  144   1HG2  THR  23          2HG2      THR  23  22.525   1.004  -9.186
  145   2HG2  THR  23          1HG2      THR  23  20.970   0.604  -8.481
  146   3HG2  THR  23          3HG2      THR  23  21.670   2.194  -8.218
  147    H    LYS  24           H        LYS  24  21.664  -1.362  -5.273
  148    HA   LYS  24           HA       LYS  24  21.830  -2.526  -3.300
  149   1HB   LYS  24          2HB       LYS  24  24.863  -2.785  -3.550
  150   2HB   LYS  24          1HB       LYS  24  23.785  -3.794  -2.643
  151   1HG   LYS  24          2HG       LYS  24  22.674  -4.684  -4.736
  152   2HG   LYS  24          1HG       LYS  24  23.856  -3.846  -5.704
  153   1HD   LYS  24          2HD       LYS  24  24.596  -6.072  -5.637
  154   2HD   LYS  24          1HD       LYS  24  25.678  -5.181  -4.592
  155   1HE   LYS  24          2HE       LYS  24  24.620  -6.041  -2.594
  156   2HE   LYS  24          1HE       LYS  24  23.259  -6.683  -3.503
  157   1HZ   LYS  24          1HZ       LYS  24  25.626  -7.751  -4.578
  158   2HZ   LYS  24          3HZ       LYS  24  25.684  -7.937  -2.892
  159   3HZ   LYS  24          2HZ       LYS  24  24.373  -8.559  -3.770
  160    H    ARG  25           H        ARG  25  21.775   0.008  -3.813
  161    HA   ARG  25           HA       ARG  25  23.447   1.444  -1.763
  162   1HB   ARG  25          2HB       ARG  25  21.880   2.745  -3.946
  163   2HB   ARG  25          1HB       ARG  25  23.075   3.351  -2.819
  164   1HG   ARG  25          2HG       ARG  25  24.919   2.506  -3.983
  165   2HG   ARG  25          1HG       ARG  25  23.969   1.297  -4.824
  166   1HD   ARG  25          2HD       ARG  25  22.734   3.213  -6.013
  167   2HD   ARG  25          1HD       ARG  25  23.808   4.337  -5.209
  168    HE   ARG  25           HE       ARG  25  24.976   2.253  -7.007
  169   1HH1  ARG  25          1HH2      ARG  25  26.734   4.145  -5.868
  170   2HH1  ARG  25          2HH2      ARG  25  26.856   5.434  -7.019
  171   1HH2  ARG  25          2HH1      ARG  25  23.842   4.315  -8.546
  172   2HH2  ARG  25          1HH1      ARG  25  25.045   5.552  -8.659
  173    H    CYS  26           H        CYS  26  22.000   2.877  -0.438
  174    HA   CYS  26           HA       CYS  26  19.476   1.578   0.062
  175   1HB   CYS  26          2HB       CYS  26  20.857   4.099   0.712
  176   2HB   CYS  26          1HB       CYS  26  19.243   3.825   1.415
  177    H    TYR  27           H        TYR  27  17.375   2.290  -0.876
  178    HA   TYR  27           HA       TYR  27  17.496   3.281  -3.542
  179   1HB   TYR  27          2HB       TYR  27  15.291   2.545  -1.690
  180   2HB   TYR  27          1HB       TYR  27  14.848   3.913  -2.686
  181    HD1  TYR  27           HD1      TYR  27  16.158   3.399  -5.256
  182    HD2  TYR  27           HD2      TYR  27  14.236   0.651  -2.634
  183    HE1  TYR  27           HE1      TYR  27  15.711   1.912  -7.134
  184    HE2  TYR  27           HE2      TYR  27  13.794  -0.836  -4.510
  185    HH   TYR  27           HH       TYR  27  13.874  -1.076  -6.785
  186   1HN   NH2  28          1HT       TYR  27  16.556   5.063  -0.590
  187   2HN   NH2  28          2HT       TYR  27  16.779   6.582  -1.335
   
  No H/Q in entry =         187
  Start of MODEL   15
    1   1H    CYS   1          3H        CYS   1  21.113   6.031  10.487
    2   2H    CYS   1          2H        CYS   1  19.527   5.693  10.993
    3   3H    CYS   1          1H        CYS   1  20.775   4.566  11.283
    4    HA   CYS   1           HA       CYS   1  20.443   3.607   9.345
    5   1HB   CYS   1          2HB       CYS   1  18.456   4.331   7.997
    6   2HB   CYS   1          1HB       CYS   1  18.096   4.183   9.691
    7    H    LYS   2           H        LYS   2  20.183   4.181   6.869
    8    HA   LYS   2           HA       LYS   2  22.255   6.226   6.244
    9   1HB   LYS   2          2HB       LYS   2  21.676   3.532   5.003
   10   2HB   LYS   2          1HB       LYS   2  22.630   4.711   4.213
   11   1HG   LYS   2          2HG       LYS   2  23.138   3.676   7.023
   12   2HG   LYS   2          1HG       LYS   2  23.789   2.984   5.545
   13   1HD   LYS   2          2HD       LYS   2  24.841   5.312   5.069
   14   2HD   LYS   2          1HD       LYS   2  24.317   5.792   6.676
   15   1HE   LYS   2          2HE       LYS   2  26.643   5.042   6.772
   16   2HE   LYS   2          1HE       LYS   2  25.623   3.927   7.673
   17   1HZ   LYS   2          2HZ       LYS   2  25.708   3.115   4.983
   18   2HZ   LYS   2          1HZ       LYS   2  27.299   3.368   5.514
   19   3HZ   LYS   2          3HZ       LYS   2  26.290   2.292   6.348
   20    H    SER   3           H        SER   3  22.303   7.252   4.203
   21    HA   SER   3           HA       SER   3  19.651   7.856   3.230
   22   1HB   SER   3          2HB       SER   3  21.207   9.576   1.898
   23   2HB   SER   3          1HB       SER   3  21.067   9.823   3.650
   24    HG   SER   3           HG       SER   3  23.170   8.750   2.149
   25    HA   HYP   4           HA       HYP   4  20.253   5.529  -0.574
   26   1HB   HYP   4          1HB       HYP   4  18.842   6.701  -2.034
   27   2HB   HYP   4          2HB       HYP   4  20.105   7.869  -2.328
   28   1HD   HYP   4          1HD       HYP   4  18.109   7.305   1.094
   29   2HD   HYP   4          2HD       HYP   4  19.044   8.764   1.469
   30    HOD  HYP   4           HOD2     HYP   4  17.008   8.595  -0.115
   31    HG   HYP   4           HG       HYP   4  19.212   9.464  -0.798
   32    H    GLY   5           H        GLY   5  21.790   4.973  -1.905
   33   1HA   GLY   5          2HA       GLY   5  23.892   5.121  -2.988
   34   2HA   GLY   5          1HA       GLY   5  24.178   6.706  -2.240
   35    H    SER   6           H        SER   6  23.187   5.131   0.285
   36    HA   SER   6           HA       SER   6  25.905   4.411   1.168
   37   1HB   SER   6          2HB       SER   6  23.157   3.829   2.387
   38   2HB   SER   6          1HB       SER   6  24.700   3.632   3.239
   39    HG   SER   6           HG       SER   6  23.356   5.966   2.505
   40    H    SER   7           H        SER   7  26.304   2.001   1.454
   41    HA   SER   7           HA       SER   7  24.889   0.541  -0.636
   42   1HB   SER   7          2HB       SER   7  27.166  -0.697   0.976
   43   2HB   SER   7          1HB       SER   7  26.816  -0.880  -0.752
   44    HG   SER   7           HG       SER   7  27.835   0.917  -1.146
   45    H    CYS   8           H        CYS   8  23.457  -0.977  -0.365
   46    HA   CYS   8           HA       CYS   8  23.074  -2.065   2.413
   47   1HB   CYS   8          2HB       CYS   8  20.657  -2.279   1.668
   48   2HB   CYS   8          1HB       CYS   8  21.242  -0.674   1.855
   49    H    SER   9           H        SER   9  21.433  -3.795   2.270
   50    HA   SER   9           HA       SER   9  22.095  -6.178   0.625
   51   1HB   SER   9          2HB       SER   9  23.017  -6.141   3.159
   52   2HB   SER   9          1HB       SER   9  21.314  -6.055   3.603
   53    HG   SER   9           HG       SER   9  22.683  -8.245   2.938
   54    HA   HYP  10           HA       HYP  10  18.095  -5.503  -0.680
   55   1HB   HYP  10          1HB       HYP  10  17.746  -7.682  -1.476
   56   2HB   HYP  10          2HB       HYP  10  16.653  -7.861  -0.099
   57   1HD   HYP  10          1HD       HYP  10  20.368  -7.784  -0.837
   58   2HD   HYP  10          2HD       HYP  10  20.740  -8.170   0.860
   59    HOD  HYP  10           HOD2     HYP  10  18.049  -9.787  -1.081
   60    HG   HYP  10           HG       HYP  10  18.430  -8.858   1.312
   61    H    THR  11           H        THR  11  18.409  -6.890   2.334
   62    HA   THR  11           HA       THR  11  16.404  -5.028   3.555
   63    HB   THR  11           HB       THR  11  15.382  -7.285   3.188
   64    HG1  THR  11           HG1      THR  11  14.502  -6.533   4.951
   65   1HG2  THR  11          2HG2      THR  11  17.507  -8.292   5.153
   66   2HG2  THR  11          1HG2      THR  11  16.177  -9.229   4.503
   67   3HG2  THR  11          3HG2      THR  11  17.472  -8.705   3.445
   68    H    SER  12           H        SER  12  19.166  -4.418   3.552
   69    HA   SER  12           HA       SER  12  20.706  -5.377   5.695
   70   1HB   SER  12          2HB       SER  12  20.480  -2.484   4.692
   71   2HB   SER  12          1HB       SER  12  21.663  -3.004   5.903
   72    HG   SER  12           HG       SER  12  22.785  -3.730   4.319
   73    H    TYR  13           H        TYR  13  18.088  -3.224   5.751
   74    HA   TYR  13           HA       TYR  13  16.604  -2.506   7.389
   75   1HB   TYR  13          2HB       TYR  13  17.918  -4.851   8.672
   76   2HB   TYR  13          1HB       TYR  13  17.753  -3.568   9.847
   77    HD1  TYR  13           HD1      TYR  13  15.453  -2.613  10.296
   78    HD2  TYR  13           HD2      TYR  13  16.038  -6.035   7.814
   79    HE1  TYR  13           HE1      TYR  13  13.074  -3.183  10.507
   80    HE2  TYR  13           HE2      TYR  13  13.669  -6.593   8.033
   81    HH   TYR  13           HH       TYR  13  11.386  -4.550   8.947
   82    H    ASN  14           H        ASN  14  19.143  -1.578   6.430
   83    HA   ASN  14           HA       ASN  14  19.873   0.291   8.600
   84   1HB   ASN  14          2HB       ASN  14  21.672  -1.323   8.035
   85   2HB   ASN  14          1HB       ASN  14  21.654  -0.767   6.367
   86   1HD2  ASN  14          2HD2      ASN  14  23.946   1.761   7.096
   87   2HD2  ASN  14          1HD2      ASN  14  23.258   0.750   5.914
   88    H    CYS  15           H        CYS  15  18.074   0.509   5.838
   89    HA   CYS  15           HA       CYS  15  19.350   3.108   5.089
   90   1HB   CYS  15          2HB       CYS  15  17.419   1.367   3.508
   91   2HB   CYS  15          1HB       CYS  15  18.147   2.849   2.993
   92    H    CYS  16           H        CYS  16  18.234   4.865   5.327
   93    HA   CYS  16           HA       CYS  16  16.055   4.977   7.195
   94   1HB   CYS  16          2HB       CYS  16  16.870   7.045   5.145
   95   2HB   CYS  16          1HB       CYS  16  15.897   7.358   6.551
   96    H    ARG  17           H        ARG  17  16.043   4.351   3.919
   97    HA   ARG  17           HA       ARG  17  13.077   4.722   3.704
   98   1HB   ARG  17          2HB       ARG  17  15.231   4.915   1.582
   99   2HB   ARG  17          1HB       ARG  17  13.517   5.034   1.230
  100   1HG   ARG  17          2HG       ARG  17  15.228   6.929   2.915
  101   2HG   ARG  17          1HG       ARG  17  14.502   7.277   1.361
  102   1HD   ARG  17          2HD       ARG  17  12.998   6.854   3.986
  103   2HD   ARG  17          1HD       ARG  17  13.146   8.337   3.060
  104    HE   ARG  17           HE       ARG  17  11.709   5.919   2.019
  105   1HH1  ARG  17          2HH1      ARG  17  11.917   7.505  -0.118
  106   2HH1  ARG  17          1HH1      ARG  17  10.687   8.724  -0.036
  107   1HH2  ARG  17          1HH2      ARG  17  10.325   8.103   3.438
  108   2HH2  ARG  17          2HH2      ARG  17   9.690   9.079   2.154
  109    H    SER  18           H        SER  18  15.576   2.882   2.036
  110    HA   SER  18           HA       SER  18  14.756   0.260   2.565
  111   1HB   SER  18          2HB       SER  18  13.508   1.505   0.045
  112   2HB   SER  18          1HB       SER  18  13.892  -0.209   0.058
  113    HG   SER  18           HG       SER  18  12.510   0.851   2.253
  114    H    CYS  19           H        CYS  19  15.685  -1.115   0.492
  115    HA   CYS  19           HA       CYS  19  18.401  -0.014   0.018
  116   1HB   CYS  19          2HB       CYS  19  18.304  -2.258   1.041
  117   2HB   CYS  19          1HB       CYS  19  17.273  -2.829  -0.239
  118    H    ASN  20           H        ASN  20  19.299  -0.570  -2.194
  119    HA   ASN  20           HA       ASN  20  17.317  -0.271  -4.380
  120   1HB   ASN  20          2HB       ASN  20  18.727   1.691  -3.930
  121   2HB   ASN  20          1HB       ASN  20  20.131   0.717  -4.269
  122   1HD2  ASN  20          2HD2      ASN  20  18.133   0.600  -7.619
  123   2HD2  ASN  20          1HD2      ASN  20  17.692  -0.381  -6.314
  124    HA   HYP  21           HA       HYP  21  19.200  -4.448  -4.567
  125   1HB   HYP  21          1HB       HYP  21  17.173  -5.555  -4.556
  126   2HB   HYP  21          2HB       HYP  21  17.087  -5.297  -6.300
  127   1HD   HYP  21          1HD       HYP  21  16.732  -3.226  -3.115
  128   2HD   HYP  21          2HD       HYP  21  16.187  -1.864  -4.117
  129    HOD  HYP  21           HOD2     HYP  21  14.553  -4.908  -5.035
  130    HG   HYP  21           HG       HYP  21  15.729  -3.277  -6.027
  131    H    TYR  22           H        TYR  22  19.060  -1.948  -6.819
  132    HA   TYR  22           HA       TYR  22  20.491  -3.770  -8.682
  133   1HB   TYR  22          2HB       TYR  22  18.896  -1.205  -9.364
  134   2HB   TYR  22          1HB       TYR  22  19.767  -2.140 -10.563
  135    HD1  TYR  22           HD1      TYR  22  19.173  -4.827 -10.350
  136    HD2  TYR  22           HD2      TYR  22  16.537  -1.623  -9.375
  137    HE1  TYR  22           HE1      TYR  22  17.264  -6.292 -10.697
  138    HE2  TYR  22           HE2      TYR  22  14.621  -3.112  -9.726
  139    HH   TYR  22           HH       TYR  22  14.991  -6.512 -10.575
  140    H    THR  23           H        THR  23  21.127  -1.659  -6.596
  141    HA   THR  23           HA       THR  23  23.689  -0.948  -7.954
  142    HB   THR  23           HB       THR  23  23.526   1.323  -6.742
  143    HG1  THR  23           HG1      THR  23  21.130   1.489  -6.103
  144   1HG2  THR  23          2HG2      THR  23  22.485   1.120  -9.108
  145   2HG2  THR  23          1HG2      THR  23  20.961   0.731  -8.337
  146   3HG2  THR  23          3HG2      THR  23  21.686   2.310  -8.097
  147    H    LYS  24           H        LYS  24  21.665  -1.403  -5.248
  148    HA   LYS  24           HA       LYS  24  21.845  -2.588  -3.303
  149   1HB   LYS  24          2HB       LYS  24  24.896  -2.691  -3.540
  150   2HB   LYS  24          1HB       LYS  24  23.893  -3.691  -2.541
  151   1HG   LYS  24          2HG       LYS  24  22.871  -4.728  -4.647
  152   2HG   LYS  24          1HG       LYS  24  24.133  -3.934  -5.561
  153   1HD   LYS  24          2HD       LYS  24  24.486  -6.008  -3.351
  154   2HD   LYS  24          1HD       LYS  24  24.847  -6.224  -5.047
  155   1HE   LYS  24          2HE       LYS  24  26.342  -4.378  -3.126
  156   2HE   LYS  24          1HE       LYS  24  26.931  -5.873  -3.825
  157   1HZ   LYS  24          3HZ       LYS  24  26.080  -4.246  -5.931
  158   2HZ   LYS  24          2HZ       LYS  24  27.033  -3.291  -4.916
  159   3HZ   LYS  24          1HZ       LYS  24  27.661  -4.736  -5.545
  160    H    ARG  25           H        ARG  25  21.703  -0.062  -3.768
  161    HA   ARG  25           HA       ARG  25  23.392   1.380  -1.748
  162   1HB   ARG  25          2HB       ARG  25  21.890   2.526  -4.039
  163   2HB   ARG  25          1HB       ARG  25  22.905   3.308  -2.842
  164   1HG   ARG  25          2HG       ARG  25  23.953   1.150  -4.699
  165   2HG   ARG  25          1HG       ARG  25  24.088   2.863  -5.073
  166   1HD   ARG  25          2HD       ARG  25  25.368   3.179  -2.943
  167   2HD   ARG  25          1HD       ARG  25  25.232   1.473  -2.587
  168    HE   ARG  25           HE       ARG  25  27.374   1.891  -3.683
  169   1HH1  ARG  25          2HH1      ARG  25  26.047  -0.150  -5.285
  170   2HH1  ARG  25          1HH1      ARG  25  26.286   0.399  -6.901
  171   1HH2  ARG  25          1HH2      ARG  25  26.974   3.664  -5.701
  172   2HH2  ARG  25          2HH2      ARG  25  26.849   2.763  -7.180
  173    H    CYS  26           H        CYS  26  22.045   2.844  -0.439
  174    HA   CYS  26           HA       CYS  26  19.510   1.642   0.208
  175   1HB   CYS  26          2HB       CYS  26  20.976   4.153   0.764
  176   2HB   CYS  26          1HB       CYS  26  19.360   3.923   1.499
  177    H    TYR  27           H        TYR  27  17.505   2.362  -0.601
  178    HA   TYR  27           HA       TYR  27  17.400   3.208  -3.280
  179   1HB   TYR  27          2HB       TYR  27  15.518   2.236  -1.456
  180   2HB   TYR  27          1HB       TYR  27  14.971   3.899  -1.643
  181    HD1  TYR  27           HD1      TYR  27  15.335   4.686  -4.315
  182    HD2  TYR  27           HD2      TYR  27  14.471   0.756  -2.900
  183    HE1  TYR  27           HE1      TYR  27  14.407   4.106  -6.480
  184    HE2  TYR  27           HE2      TYR  27  13.546   0.182  -5.078
  185    HH   TYR  27           HH       TYR  27  12.848   2.527  -7.421
  186   1HN   NH2  28          1HT       TYR  27  16.760   5.223  -0.416
  187   2HN   NH2  28          2HT       TYR  27  17.031   6.684  -1.244
   
  No H/Q in entry =         187
  Start of MODEL   16
    1   1H    CYS   1          2H        CYS   1  21.601   5.809  10.717
    2   2H    CYS   1          1H        CYS   1  20.050   5.501  11.338
    3   3H    CYS   1          3H        CYS   1  21.285   4.337  11.509
    4    HA   CYS   1           HA       CYS   1  20.755   3.422   9.585
    5   1HB   CYS   1          2HB       CYS   1  18.732   4.163   8.432
    6   2HB   CYS   1          1HB       CYS   1  18.470   4.263  10.147
    7    H    LYS   2           H        LYS   2  20.308   4.132   7.158
    8    HA   LYS   2           HA       LYS   2  22.289   6.215   6.433
    9   1HB   LYS   2          2HB       LYS   2  22.076   3.352   5.494
   10   2HB   LYS   2          1HB       LYS   2  22.774   4.571   4.510
   11   1HG   LYS   2          2HG       LYS   2  24.087   5.214   6.731
   12   2HG   LYS   2          1HG       LYS   2  23.443   3.762   7.420
   13   1HD   LYS   2          2HD       LYS   2  24.662   2.447   5.544
   14   2HD   LYS   2          1HD       LYS   2  25.399   3.974   5.098
   15   1HE   LYS   2          2HE       LYS   2  26.349   4.258   7.355
   16   2HE   LYS   2          1HE       LYS   2  25.607   2.772   7.912
   17   1HZ   LYS   2          1HZ       LYS   2  27.115   2.254   5.576
   18   2HZ   LYS   2          3HZ       LYS   2  28.067   3.105   6.692
   19   3HZ   LYS   2          2HZ       LYS   2  27.334   1.650   7.149
   20    H    SER   3           H        SER   3  22.198   7.168   4.400
   21    HA   SER   3           HA       SER   3  19.516   7.448   3.430
   22   1HB   SER   3          2HB       SER   3  20.862   9.360   2.134
   23   2HB   SER   3          1HB       SER   3  20.777   9.522   3.902
   24    HG   SER   3           HG       SER   3  22.861   8.614   2.265
   25    HA   HYP   4           HA       HYP   4  20.008   5.378  -0.456
   26   1HB   HYP   4          1HB       HYP   4  18.599   6.658  -1.867
   27   2HB   HYP   4          2HB       HYP   4  19.877   7.808  -2.085
   28   1HD   HYP   4          1HD       HYP   4  17.964   7.038   1.290
   29   2HD   HYP   4          2HD       HYP   4  18.863   8.490   1.763
   30    HOD  HYP   4           HOD2     HYP   4  16.881   8.727   0.113
   31    HG   HYP   4           HG       HYP   4  19.096   9.315  -0.451
   32    H    GLY   5           H        GLY   5  21.440   4.866  -1.950
   33   1HA   GLY   5          2HA       GLY   5  23.552   5.163  -3.116
   34   2HA   GLY   5          1HA       GLY   5  23.812   6.657  -2.215
   35    H    SER   6           H        SER   6  23.091   5.314   0.328
   36    HA   SER   6           HA       SER   6  25.737   4.477   1.116
   37   1HB   SER   6          2HB       SER   6  22.986   3.947   2.368
   38   2HB   SER   6          1HB       SER   6  24.518   3.562   3.170
   39    HG   SER   6           HG       SER   6  23.346   6.022   2.637
   40    H    SER   7           H        SER   7  26.297   2.150   1.341
   41    HA   SER   7           HA       SER   7  24.902   0.623  -0.708
   42   1HB   SER   7          2HB       SER   7  26.915  -1.040  -0.169
   43   2HB   SER   7          1HB       SER   7  27.394   0.565  -0.749
   44    HG   SER   7           HG       SER   7  26.764   0.132   1.961
   45    H    CYS   8           H        CYS   8  23.508  -0.959  -0.371
   46    HA   CYS   8           HA       CYS   8  23.217  -1.918   2.459
   47   1HB   CYS   8          2HB       CYS   8  20.719  -2.090   1.777
   48   2HB   CYS   8          1HB       CYS   8  21.364  -0.519   2.012
   49    H    SER   9           H        SER   9  21.418  -3.563   2.363
   50    HA   SER   9           HA       SER   9  22.051  -5.992   0.786
   51   1HB   SER   9          2HB       SER   9  22.760  -5.957   3.418
   52   2HB   SER   9          1HB       SER   9  21.020  -5.906   3.677
   53    HG   SER   9           HG       SER   9  22.438  -8.078   3.105
   54    HA   HYP  10           HA       HYP  10  18.006  -5.123  -0.607
   55   1HB   HYP  10          1HB       HYP  10  17.585  -7.174  -1.582
   56   2HB   HYP  10          2HB       HYP  10  16.674  -7.589  -0.132
   57   1HD   HYP  10          1HD       HYP  10  20.427  -7.182  -1.009
   58   2HD   HYP  10          2HD       HYP  10  20.757  -7.808   0.629
   59    HOD  HYP  10           HOD2     HYP  10  18.243  -9.707  -1.206
   60    HG   HYP  10           HG       HYP  10  18.560  -8.805   0.831
   61    H    THR  11           H        THR  11  18.332  -6.731   2.360
   62    HA   THR  11           HA       THR  11  16.202  -5.027   3.628
   63    HB   THR  11           HB       THR  11  15.743  -7.047   5.155
   64    HG1  THR  11           HG1      THR  11  17.653  -8.061   4.978
   65   1HG2  THR  11          2HG2      THR  11  14.423  -6.845   2.924
   66   2HG2  THR  11          1HG2      THR  11  15.660  -7.850   2.188
   67   3HG2  THR  11          3HG2      THR  11  14.649  -8.505   3.462
   68    H    SER  12           H        SER  12  18.769  -4.013   3.555
   69    HA   SER  12           HA       SER  12  20.637  -4.810   5.421
   70   1HB   SER  12          2HB       SER  12  21.222  -2.366   5.591
   71   2HB   SER  12          1HB       SER  12  20.910  -2.814   3.919
   72    HG   SER  12           HG       SER  12  19.405  -1.310   4.022
   73    H    TYR  13           H        TYR  13  17.972  -2.809   5.889
   74    HA   TYR  13           HA       TYR  13  16.492  -2.354   7.681
   75   1HB   TYR  13          2HB       TYR  13  17.871  -4.809   8.677
   76   2HB   TYR  13          1HB       TYR  13  17.769  -3.635   9.967
   77    HD1  TYR  13           HD1      TYR  13  15.713  -5.274   7.307
   78    HD2  TYR  13           HD2      TYR  13  15.725  -3.411  11.132
   79    HE1  TYR  13           HE1      TYR  13  13.349  -5.883   7.612
   80    HE2  TYR  13           HE2      TYR  13  13.373  -4.017  11.432
   81    HH   TYR  13           HH       TYR  13  11.831  -5.868  10.526
   82    H    ASN  14           H        ASN  14  19.057  -1.370   6.712
   83    HA   ASN  14           HA       ASN  14  19.840   0.390   8.977
   84   1HB   ASN  14          2HB       ASN  14  21.637  -1.240   8.378
   85   2HB   ASN  14          1HB       ASN  14  21.579  -0.666   6.722
   86   1HD2  ASN  14          2HD2      ASN  14  23.821   1.923   7.384
   87   2HD2  ASN  14          1HD2      ASN  14  23.148   0.862   6.247
   88    H    CYS  15           H        CYS  15  18.384   0.303   6.021
   89    HA   CYS  15           HA       CYS  15  19.392   2.973   5.184
   90   1HB   CYS  15          2HB       CYS  15  17.558   1.090   3.619
   91   2HB   CYS  15          1HB       CYS  15  18.219   2.610   3.114
   92    H    CYS  16           H        CYS  16  18.329   4.714   5.766
   93    HA   CYS  16           HA       CYS  16  15.550   4.447   6.803
   94   1HB   CYS  16          2HB       CYS  16  17.423   6.722   6.458
   95   2HB   CYS  16          1HB       CYS  16  15.744   7.145   6.589
   96    H    ARG  17           H        ARG  17  15.952   3.760   4.058
   97    HA   ARG  17           HA       ARG  17  13.643   5.144   2.835
   98   1HB   ARG  17          2HB       ARG  17  16.465   5.217   1.747
   99   2HB   ARG  17          1HB       ARG  17  15.122   5.073   0.613
  100   1HG   ARG  17          2HG       ARG  17  14.998   7.247   2.735
  101   2HG   ARG  17          1HG       ARG  17  15.950   7.505   1.291
  102   1HD   ARG  17          2HD       ARG  17  14.104   7.292  -0.181
  103   2HD   ARG  17          1HD       ARG  17  13.059   6.620   1.067
  104    HE   ARG  17           HE       ARG  17  13.087   8.853   2.158
  105   1HH1  ARG  17          2HH1      ARG  17  15.046  10.427   1.416
  106   2HH1  ARG  17          1HH1      ARG  17  14.577  11.338   0.020
  107   1HH2  ARG  17          1HH2      ARG  17  12.006   9.019  -0.668
  108   2HH2  ARG  17          2HH2      ARG  17  12.717  10.495  -1.234
  109    H    SER  18           H        SER  18  15.964   2.570   2.647
  110    HA   SER  18           HA       SER  18  15.069   0.217   2.653
  111   1HB   SER  18          2HB       SER  18  13.735   1.298   0.076
  112   2HB   SER  18          1HB       SER  18  13.966  -0.428   0.350
  113    HG   SER  18           HG       SER  18  12.404   1.398   1.672
  114    H    CYS  19           H        CYS  19  15.780  -1.196   0.418
  115    HA   CYS  19           HA       CYS  19  18.484  -0.101  -0.224
  116   1HB   CYS  19          2HB       CYS  19  18.409  -2.283   1.009
  117   2HB   CYS  19          1HB       CYS  19  17.514  -2.954  -0.328
  118    H    ASN  20           H        ASN  20  19.300  -0.531  -2.405
  119    HA   ASN  20           HA       ASN  20  17.170  -0.674  -4.469
  120   1HB   ASN  20          2HB       ASN  20  18.254   1.507  -4.345
  121   2HB   ASN  20          1HB       ASN  20  19.798   0.716  -4.654
  122   1HD2  ASN  20          2HD2      ASN  20  18.998   0.117  -8.018
  123   2HD2  ASN  20          1HD2      ASN  20  20.158  -0.020  -6.782
  124    HA   HYP  21           HA       HYP  21  19.341  -4.656  -4.786
  125   1HB   HYP  21          1HB       HYP  21  17.344  -5.837  -4.846
  126   2HB   HYP  21          2HB       HYP  21  17.313  -5.566  -6.589
  127   1HD   HYP  21          1HD       HYP  21  16.816  -3.666  -3.376
  128   2HD   HYP  21          2HD       HYP  21  16.194  -2.267  -4.266
  129    HOD  HYP  21           HOD2     HYP  21  14.498  -4.888  -5.468
  130    HG   HYP  21           HG       HYP  21  15.930  -3.514  -6.315
  131    H    TYR  22           H        TYR  22  19.150  -2.142  -6.979
  132    HA   TYR  22           HA       TYR  22  20.764  -3.800  -8.821
  133   1HB   TYR  22          2HB       TYR  22  18.803  -1.495  -9.478
  134   2HB   TYR  22          1HB       TYR  22  19.955  -2.068 -10.670
  135    HD1  TYR  22           HD1      TYR  22  17.315  -3.477  -8.343
  136    HD2  TYR  22           HD2      TYR  22  19.261  -3.740 -12.129
  137    HE1  TYR  22           HE1      TYR  22  15.801  -5.285  -9.010
  138    HE2  TYR  22           HE2      TYR  22  17.742  -5.544 -12.782
  139    HH   TYR  22           HH       TYR  22  16.317  -7.372 -11.290
  140    H    THR  23           H        THR  23  21.225  -1.805  -6.685
  141    HA   THR  23           HA       THR  23  23.735  -0.805  -7.951
  142    HB   THR  23           HB       THR  23  23.369   1.461  -6.789
  143    HG1  THR  23           HG1      THR  23  21.685   1.605  -5.534
  144   1HG2  THR  23          3HG2      THR  23  21.015   0.707  -8.610
  145   2HG2  THR  23          2HG2      THR  23  21.573   2.333  -8.260
  146   3HG2  THR  23          1HG2      THR  23  22.578   1.231  -9.182
  147    H    LYS  24           H        LYS  24  21.623  -1.422  -5.299
  148    HA   LYS  24           HA       LYS  24  21.893  -2.525  -3.325
  149   1HB   LYS  24          2HB       LYS  24  24.940  -2.526  -3.634
  150   2HB   LYS  24          1HB       LYS  24  23.974  -3.563  -2.631
  151   1HG   LYS  24          2HG       LYS  24  22.913  -4.606  -4.648
  152   2HG   LYS  24          1HG       LYS  24  24.032  -3.717  -5.661
  153   1HD   LYS  24          2HD       LYS  24  25.971  -4.770  -4.617
  154   2HD   LYS  24          1HD       LYS  24  24.953  -5.636  -3.478
  155   1HE   LYS  24          2HE       LYS  24  24.877  -5.932  -6.515
  156   2HE   LYS  24          1HE       LYS  24  25.524  -7.108  -5.382
  157   1HZ   LYS  24          1HZ       LYS  24  22.938  -6.447  -4.540
  158   2HZ   LYS  24          3HZ       LYS  24  22.871  -6.782  -6.205
  159   3HZ   LYS  24          2HZ       LYS  24  23.510  -7.929  -5.129
  160    H    ARG  25           H        ARG  25  21.678   0.017  -3.823
  161    HA   ARG  25           HA       ARG  25  23.333   1.407  -1.755
  162   1HB   ARG  25          2HB       ARG  25  22.047   2.765  -4.102
  163   2HB   ARG  25          1HB       ARG  25  23.184   3.297  -2.891
  164   1HG   ARG  25          2HG       ARG  25  24.003   1.091  -4.791
  165   2HG   ARG  25          1HG       ARG  25  24.365   2.773  -5.114
  166   1HD   ARG  25          2HD       ARG  25  25.240   2.102  -2.406
  167   2HD   ARG  25          1HD       ARG  25  25.824   0.890  -3.539
  168    HE   ARG  25           HE       ARG  25  26.273   3.825  -3.957
  169   1HH1  ARG  25          1HH2      ARG  25  27.805   1.262  -2.666
  170   2HH1  ARG  25          2HH2      ARG  25  29.232   1.301  -3.649
  171   1HH2  ARG  25          2HH1      ARG  25  27.743   3.670  -5.775
  172   2HH2  ARG  25          1HH1      ARG  25  29.201   2.765  -5.519
  173    H    CYS  26           H        CYS  26  21.938   2.783  -0.430
  174    HA   CYS  26           HA       CYS  26  19.437   1.548   0.089
  175   1HB   CYS  26          2HB       CYS  26  20.823   4.066   0.778
  176   2HB   CYS  26          1HB       CYS  26  19.240   3.734   1.531
  177    H    TYR  27           H        TYR  27  17.402   2.250  -0.580
  178    HA   TYR  27           HA       TYR  27  17.137   3.217  -3.202
  179   1HB   TYR  27          2HB       TYR  27  15.323   2.148  -1.350
  180   2HB   TYR  27          1HB       TYR  27  14.765   3.819  -1.432
  181    HD1  TYR  27           HD1      TYR  27  15.921   1.007  -3.535
  182    HD2  TYR  27           HD2      TYR  27  13.456   4.471  -3.366
  183    HE1  TYR  27           HE1      TYR  27  15.078   0.495  -5.746
  184    HE2  TYR  27           HE2      TYR  27  12.594   3.943  -5.613
  185    HH   TYR  27           HH       TYR  27  13.990   1.362  -7.498
  186   1HN   NH2  28          1HT       TYR  27  16.715   5.139  -0.251
  187   2HN   NH2  28          2HT       TYR  27  16.856   6.640  -1.041
   
  No H/Q in entry =         187
  Start of MODEL   17
    1   1H    CYS   1          1H        CYS   1  21.010   5.309  10.784
    2   2H    CYS   1          3H        CYS   1  19.430   4.861  11.214
    3   3H    CYS   1          2H        CYS   1  20.698   3.728  11.324
    4    HA   CYS   1           HA       CYS   1  20.386   3.096   9.262
    5   1HB   CYS   1          2HB       CYS   1  18.397   3.946   8.047
    6   2HB   CYS   1          1HB       CYS   1  18.025   3.670   9.722
    7    H    LYS   2           H        LYS   2  20.205   4.011   6.900
    8    HA   LYS   2           HA       LYS   2  22.072   6.298   6.585
    9   1HB   LYS   2          2HB       LYS   2  22.123   3.528   5.411
   10   2HB   LYS   2          1HB       LYS   2  22.822   4.774   4.482
   11   1HG   LYS   2          2HG       LYS   2  23.979   5.407   6.891
   12   2HG   LYS   2          1HG       LYS   2  23.435   3.821   7.353
   13   1HD   LYS   2          2HD       LYS   2  24.825   2.802   5.529
   14   2HD   LYS   2          1HD       LYS   2  25.317   4.401   5.035
   15   1HE   LYS   2          2HE       LYS   2  25.830   3.284   7.821
   16   2HE   LYS   2          1HE       LYS   2  27.018   3.369   6.526
   17   1HZ   LYS   2          2HZ       LYS   2  25.826   5.879   6.731
   18   2HZ   LYS   2          1HZ       LYS   2  26.230   5.392   8.304
   19   3HZ   LYS   2          3HZ       LYS   2  27.423   5.446   7.096
   20    H    SER   3           H        SER   3  22.095   7.406   4.579
   21    HA   SER   3           HA       SER   3  19.416   7.585   3.476
   22   1HB   SER   3          2HB       SER   3  21.962   9.263   2.963
   23   2HB   SER   3          1HB       SER   3  20.326   9.770   2.535
   24    HG   SER   3           HG       SER   3  19.985  10.293   4.570
   25    HA   HYP   4           HA       HYP   4  20.183   5.404  -0.345
   26   1HB   HYP   4          1HB       HYP   4  18.780   6.542  -1.797
   27   2HB   HYP   4          2HB       HYP   4  20.009   7.749  -2.074
   28   1HD   HYP   4          1HD       HYP   4  18.036   7.008   1.269
   29   2HD   HYP   4          2HD       HYP   4  18.819   8.526   1.724
   30    HOD  HYP   4           HOD2     HYP   4  16.897   8.445   0.086
   31    HG   HYP   4           HG       HYP   4  19.112   9.284  -0.503
   32    H    GLY   5           H        GLY   5  21.494   4.993  -2.041
   33   1HA   GLY   5          2HA       GLY   5  23.574   5.094  -3.220
   34   2HA   GLY   5          1HA       GLY   5  23.969   6.592  -2.370
   35    H    SER   6           H        SER   6  23.294   5.311   0.174
   36    HA   SER   6           HA       SER   6  25.905   4.415   0.969
   37   1HB   SER   6          2HB       SER   6  24.313   5.203   2.742
   38   2HB   SER   6          1HB       SER   6  23.131   3.973   2.263
   39    HG   SER   6           HG       SER   6  24.272   2.518   3.265
   40    H    SER   7           H        SER   7  26.301   2.075   1.346
   41    HA   SER   7           HA       SER   7  24.903   0.543  -0.775
   42   1HB   SER   7          2HB       SER   7  27.488   0.423  -0.626
   43   2HB   SER   7          1HB       SER   7  27.269  -0.548   0.840
   44    HG   SER   7           HG       SER   7  25.649  -1.340  -1.264
   45    H    CYS   8           H        CYS   8  23.481  -1.047  -0.405
   46    HA   CYS   8           HA       CYS   8  23.201  -2.002   2.420
   47   1HB   CYS   8          2HB       CYS   8  20.707  -2.065   1.860
   48   2HB   CYS   8          1HB       CYS   8  21.408  -0.505   2.062
   49    H    SER   9           H        SER   9  21.542  -3.668   2.505
   50    HA   SER   9           HA       SER   9  22.018  -5.959   0.663
   51   1HB   SER   9          2HB       SER   9  22.867  -6.125   3.201
   52   2HB   SER   9          1HB       SER   9  21.156  -5.969   3.624
   53    HG   SER   9           HG       SER   9  22.341  -8.200   2.989
   54    HA   HYP  10           HA       HYP  10  17.930  -5.023  -0.540
   55   1HB   HYP  10          1HB       HYP  10  17.507  -7.062  -1.593
   56   2HB   HYP  10          2HB       HYP  10  16.558  -7.474  -0.164
   57   1HD   HYP  10          1HD       HYP  10  20.280  -7.156  -1.071
   58   2HD   HYP  10          2HD       HYP  10  20.662  -7.806   0.546
   59    HOD  HYP  10           HOD2     HYP  10  18.758  -9.949  -0.834
   60    HG   HYP  10           HG       HYP  10  18.423  -8.704   0.852
   61    H    THR  11           H        THR  11  18.377  -6.734   2.325
   62    HA   THR  11           HA       THR  11  16.295  -5.160   3.763
   63    HB   THR  11           HB       THR  11  16.207  -7.439   5.189
   64    HG1  THR  11           HG1      THR  11  16.853  -8.790   2.918
   65   1HG2  THR  11          2HG2      THR  11  15.244  -7.474   2.254
   66   2HG2  THR  11          1HG2      THR  11  14.583  -8.444   3.564
   67   3HG2  THR  11          3HG2      THR  11  14.356  -6.700   3.548
   68    H    SER  12           H        SER  12  19.039  -4.127   3.704
   69    HA   SER  12           HA       SER  12  20.510  -5.209   5.933
   70   1HB   SER  12          2HB       SER  12  20.606  -2.412   4.687
   71   2HB   SER  12          1HB       SER  12  21.638  -2.900   6.040
   72    HG   SER  12           HG       SER  12  22.796  -4.015   4.718
   73    H    TYR  13           H        TYR  13  17.918  -2.934   5.892
   74    HA   TYR  13           HA       TYR  13  16.617  -1.973   7.584
   75   1HB   TYR  13          2HB       TYR  13  18.058  -4.167   9.200
   76   2HB   TYR  13          1HB       TYR  13  17.281  -2.867  10.062
   77    HD1  TYR  13           HD1      TYR  13  16.554  -5.280   7.270
   78    HD2  TYR  13           HD2      TYR  13  15.022  -3.088  10.577
   79    HE1  TYR  13           HE1      TYR  13  14.373  -6.371   6.987
   80    HE2  TYR  13           HE2      TYR  13  12.847  -4.183  10.292
   81    HH   TYR  13           HH       TYR  13  11.631  -5.277   8.157
   82    H    ASN  14           H        ASN  14  19.182  -1.315   6.523
   83    HA   ASN  14           HA       ASN  14  20.109   0.495   8.647
   84   1HB   ASN  14          2HB       ASN  14  21.823  -1.247   8.038
   85   2HB   ASN  14          1HB       ASN  14  21.797  -0.661   6.377
   86   1HD2  ASN  14          2HD2      ASN  14  24.129   1.845   7.097
   87   2HD2  ASN  14          1HD2      ASN  14  23.377   0.884   5.916
   88    H    CYS  15           H        CYS  15  18.300   0.553   6.053
   89    HA   CYS  15           HA       CYS  15  19.402   3.126   5.009
   90   1HB   CYS  15          2HB       CYS  15  17.550   1.191   3.509
   91   2HB   CYS  15          1HB       CYS  15  18.228   2.679   2.964
   92    H    CYS  16           H        CYS  16  18.341   4.765   5.669
   93    HA   CYS  16           HA       CYS  16  15.971   4.782   7.226
   94   1HB   CYS  16          2HB       CYS  16  16.936   6.997   5.424
   95   2HB   CYS  16          1HB       CYS  16  15.950   7.191   6.843
   96    H    ARG  17           H        ARG  17  16.111   4.210   3.979
   97    HA   ARG  17           HA       ARG  17  13.224   4.821   3.541
   98   1HB   ARG  17          2HB       ARG  17  15.609   5.113   1.729
   99   2HB   ARG  17          1HB       ARG  17  13.980   5.022   1.056
  100   1HG   ARG  17          2HG       ARG  17  14.502   6.983   3.297
  101   2HG   ARG  17          1HG       ARG  17  15.116   7.377   1.702
  102   1HD   ARG  17          2HD       ARG  17  12.791   8.274   2.137
  103   2HD   ARG  17          1HD       ARG  17  12.882   7.229   0.728
  104    HE   ARG  17           HE       ARG  17  11.910   6.230   3.391
  105   1HH1  ARG  17          1HH2      ARG  17  11.406   3.979   2.392
  106   2HH1  ARG  17          2HH2      ARG  17  10.134   4.060   1.220
  107   1HH2  ARG  17          2HH1      ARG  17  10.528   7.531   0.862
  108   2HH2  ARG  17          1HH1      ARG  17   9.660   6.160   0.259
  109    H    SER  18           H        SER  18  15.765   2.736   2.322
  110    HA   SER  18           HA       SER  18  14.849   0.216   2.589
  111   1HB   SER  18          2HB       SER  18  12.702   0.866   1.200
  112   2HB   SER  18          1HB       SER  18  13.780   1.188  -0.158
  113    HG   SER  18           HG       SER  18  12.860  -1.151   0.564
  114    H    CYS  19           H        CYS  19  15.614  -1.034   0.366
  115    HA   CYS  19           HA       CYS  19  18.353   0.056  -0.197
  116   1HB   CYS  19          2HB       CYS  19  18.221  -2.125   0.984
  117   2HB   CYS  19          1HB       CYS  19  17.377  -2.790  -0.387
  118    H    ASN  20           H        ASN  20  19.338  -0.563  -2.393
  119    HA   ASN  20           HA       ASN  20  17.315  -0.460  -4.564
  120   1HB   ASN  20          2HB       ASN  20  18.663   1.633  -4.266
  121   2HB   ASN  20          1HB       ASN  20  20.090   0.667  -4.591
  122   1HD2  ASN  20          2HD2      ASN  20  19.341   0.274  -7.983
  123   2HD2  ASN  20          1HD2      ASN  20  20.388  -0.090  -6.690
  124    HA   HYP  21           HA       HYP  21  19.281  -4.548  -4.729
  125   1HB   HYP  21          1HB       HYP  21  17.228  -5.645  -4.730
  126   2HB   HYP  21          2HB       HYP  21  17.258  -5.502  -6.488
  127   1HD   HYP  21          1HD       HYP  21  16.681  -3.382  -3.420
  128   2HD   HYP  21          2HD       HYP  21  16.186  -2.009  -4.424
  129    HOD  HYP  21           HOD2     HYP  21  14.331  -4.395  -5.477
  130    HG   HYP  21           HG       HYP  21  15.955  -3.399  -6.415
  131    H    TYR  22           H        TYR  22  19.205  -2.066  -6.932
  132    HA   TYR  22           HA       TYR  22  20.696  -3.814  -8.806
  133   1HB   TYR  22          2HB       TYR  22  18.754  -1.501  -9.412
  134   2HB   TYR  22          1HB       TYR  22  19.958  -1.947 -10.611
  135    HD1  TYR  22           HD1      TYR  22  17.347  -3.564  -8.406
  136    HD2  TYR  22           HD2      TYR  22  19.442  -3.641 -12.122
  137    HE1  TYR  22           HE1      TYR  22  15.986  -5.453  -9.144
  138    HE2  TYR  22           HE2      TYR  22  18.072  -5.533 -12.852
  139    HH   TYR  22           HH       TYR  22  16.702  -7.474 -11.328
  140    H    THR  23           H        THR  23  21.304  -1.893  -6.689
  141    HA   THR  23           HA       THR  23  23.863  -1.016  -7.944
  142    HB   THR  23           HB       THR  23  23.675   1.181  -6.743
  143    HG1  THR  23           HG1      THR  23  22.199   1.251  -5.302
  144   1HG2  THR  23          2HG2      THR  23  21.249   0.707  -8.539
  145   2HG2  THR  23          1HG2      THR  23  21.895   2.275  -8.083
  146   3HG2  THR  23          3HG2      THR  23  22.834   1.182  -9.090
  147    H    LYS  24           H        LYS  24  21.699  -1.440  -5.340
  148    HA   LYS  24           HA       LYS  24  21.795  -2.573  -3.333
  149   1HB   LYS  24          2HB       LYS  24  24.821  -2.881  -3.575
  150   2HB   LYS  24          1HB       LYS  24  23.712  -3.898  -2.693
  151   1HG   LYS  24          2HG       LYS  24  22.564  -4.390  -5.036
  152   2HG   LYS  24          1HG       LYS  24  24.093  -3.866  -5.709
  153   1HD   LYS  24          2HD       LYS  24  25.294  -5.622  -4.457
  154   2HD   LYS  24          1HD       LYS  24  23.757  -6.176  -3.791
  155   1HE   LYS  24          2HE       LYS  24  22.907  -6.397  -6.220
  156   2HE   LYS  24          1HE       LYS  24  24.545  -6.065  -6.746
  157   1HZ   LYS  24          3HZ       LYS  24  24.648  -8.100  -4.822
  158   2HZ   LYS  24          2HZ       LYS  24  23.437  -8.482  -5.945
  159   3HZ   LYS  24          1HZ       LYS  24  25.025  -8.185  -6.472
  160    H    ARG  25           H        ARG  25  21.665  -0.118  -3.782
  161    HA   ARG  25           HA       ARG  25  23.369   1.333  -1.789
  162   1HB   ARG  25          2HB       ARG  25  22.009   2.642  -4.132
  163   2HB   ARG  25          1HB       ARG  25  23.077   3.227  -2.887
  164   1HG   ARG  25          2HG       ARG  25  24.974   2.027  -3.528
  165   2HG   ARG  25          1HG       ARG  25  24.145   0.988  -4.631
  166   1HD   ARG  25          2HD       ARG  25  23.700   3.212  -6.021
  167   2HD   ARG  25          1HD       ARG  25  24.915   3.918  -4.967
  168    HE   ARG  25           HE       ARG  25  25.457   1.455  -6.601
  169   1HH1  ARG  25          1HH2      ARG  25  26.883   3.319  -4.415
  170   2HH1  ARG  25          2HH2      ARG  25  28.254   3.814  -5.346
  171   1HH2  ARG  25          2HH1      ARG  25  26.775   2.469  -8.268
  172   2HH2  ARG  25          1HH1      ARG  25  28.195   3.287  -7.716
  173    H    CYS  26           H        CYS  26  22.025   2.742  -0.413
  174    HA   CYS  26           HA       CYS  26  19.501   1.589   0.171
  175   1HB   CYS  26          2HB       CYS  26  21.000   4.091   0.775
  176   2HB   CYS  26          1HB       CYS  26  19.394   3.838   1.517
  177    H    TYR  27           H        TYR  27  17.504   2.252  -0.647
  178    HA   TYR  27           HA       TYR  27  17.324   3.188  -3.308
  179   1HB   TYR  27          2HB       TYR  27  15.494   1.998  -1.588
  180   2HB   TYR  27          1HB       TYR  27  14.882   3.649  -1.579
  181    HD1  TYR  27           HD1      TYR  27  16.281   1.161  -3.902
  182    HD2  TYR  27           HD2      TYR  27  13.357   4.193  -3.410
  183    HE1  TYR  27           HE1      TYR  27  15.460   0.676  -6.123
  184    HE2  TYR  27           HE2      TYR  27  12.510   3.705  -5.674
  185    HH   TYR  27           HH       TYR  27  14.075   1.336  -7.756
  186   1HN   NH2  28          1HT       TYR  27  16.695   5.029  -0.329
  187   2HN   NH2  28          2HT       TYR  27  16.848   6.547  -1.084
   
  No H/Q in entry =         187
  Start of MODEL   18
    1   1H    CYS   1          3H        CYS   1  21.310   5.934  10.518
    2   2H    CYS   1          2H        CYS   1  19.731   5.634  11.066
    3   3H    CYS   1          1H        CYS   1  20.956   4.475  11.317
    4    HA   CYS   1           HA       CYS   1  20.520   3.526   9.389
    5   1HB   CYS   1          2HB       CYS   1  18.560   4.351   8.080
    6   2HB   CYS   1          1HB       CYS   1  18.205   4.244   9.780
    7    H    LYS   2           H        LYS   2  20.311   4.080   6.911
    8    HA   LYS   2           HA       LYS   2  22.413   6.096   6.263
    9   1HB   LYS   2          2HB       LYS   2  21.892   3.374   5.020
   10   2HB   LYS   2          1HB       LYS   2  22.852   4.577   4.290
   11   1HG   LYS   2          2HG       LYS   2  23.228   3.609   7.176
   12   2HG   LYS   2          1HG       LYS   2  23.929   2.794   5.786
   13   1HD   LYS   2          2HD       LYS   2  25.364   4.706   5.296
   14   2HD   LYS   2          1HD       LYS   2  24.496   5.731   6.423
   15   1HE   LYS   2          2HE       LYS   2  26.659   4.912   7.364
   16   2HE   LYS   2          1HE       LYS   2  25.275   4.458   8.343
   17   1HZ   LYS   2          2HZ       LYS   2  25.734   2.436   6.437
   18   2HZ   LYS   2          1HZ       LYS   2  27.204   2.799   7.199
   19   3HZ   LYS   2          3HZ       LYS   2  25.868   2.353   8.137
   20    H    SER   3           H        SER   3  22.442   7.114   4.212
   21    HA   SER   3           HA       SER   3  19.792   7.619   3.223
   22   1HB   SER   3          2HB       SER   3  21.317   9.397   1.916
   23   2HB   SER   3          1HB       SER   3  21.093   9.622   3.661
   24    HG   SER   3           HG       SER   3  23.282   8.601   2.241
   25    HA   HYP   4           HA       HYP   4  20.126   5.440  -0.633
   26   1HB   HYP   4          1HB       HYP   4  18.677   6.731  -1.982
   27   2HB   HYP   4          2HB       HYP   4  19.970   7.859  -2.287
   28   1HD   HYP   4          1HD       HYP   4  18.179   7.178   1.207
   29   2HD   HYP   4          2HD       HYP   4  19.145   8.618   1.576
   30    HOD  HYP   4           HOD2     HYP   4  17.030   8.703   0.099
   31    HG   HYP   4           HG       HYP   4  19.196   9.399  -0.650
   32    H    GLY   5           H        GLY   5  21.520   4.862  -2.146
   33   1HA   GLY   5          2HA       GLY   5  23.575   4.984  -3.340
   34   2HA   GLY   5          1HA       GLY   5  23.910   6.549  -2.600
   35    H    SER   6           H        SER   6  23.313   5.403   0.103
   36    HA   SER   6           HA       SER   6  26.041   4.543   0.684
   37   1HB   SER   6          2HB       SER   6  24.403   5.527   2.509
   38   2HB   SER   6          1HB       SER   6  23.573   3.956   2.422
   39    HG   SER   6           HG       SER   6  25.262   3.046   3.352
   40    H    SER   7           H        SER   7  26.421   2.123   1.208
   41    HA   SER   7           HA       SER   7  24.805   0.580  -0.649
   42   1HB   SER   7          2HB       SER   7  26.775  -1.174   0.091
   43   2HB   SER   7          1HB       SER   7  26.991   0.067  -1.149
   44    HG   SER   7           HG       SER   7  28.492   0.713   0.217
   45    H    CYS   8           H        CYS   8  23.479  -1.004  -0.292
   46    HA   CYS   8           HA       CYS   8  23.257  -2.040   2.515
   47   1HB   CYS   8          2HB       CYS   8  20.745  -2.161   1.949
   48   2HB   CYS   8          1HB       CYS   8  21.384  -0.592   2.193
   49    H    SER   9           H        SER   9  21.463  -3.696   2.373
   50    HA   SER   9           HA       SER   9  21.985  -5.993   0.577
   51   1HB   SER   9          2HB       SER   9  22.975  -6.235   3.042
   52   2HB   SER   9          1HB       SER   9  21.316  -5.996   3.593
   53    HG   SER   9           HG       SER   9  22.407  -8.263   2.728
   54    HA   HYP  10           HA       HYP  10  17.922  -5.032  -0.509
   55   1HB   HYP  10          1HB       HYP  10  17.459  -7.025  -1.602
   56   2HB   HYP  10          2HB       HYP  10  16.532  -7.477  -0.173
   57   1HD   HYP  10          1HD       HYP  10  20.267  -7.164  -1.103
   58   2HD   HYP  10          2HD       HYP  10  20.634  -7.862   0.493
   59    HOD  HYP  10           HOD2     HYP  10  18.207  -9.794  -1.170
   60    HG   HYP  10           HG       HYP  10  18.396  -8.784   0.744
   61    H    THR  11           H        THR  11  18.356  -6.774   2.330
   62    HA   THR  11           HA       THR  11  16.266  -5.157   3.806
   63    HB   THR  11           HB       THR  11  16.862  -8.142   4.339
   64    HG1  THR  11           HG1      THR  11  15.431  -6.817   2.440
   65   1HG2  THR  11          2HG2      THR  11  14.447  -6.364   5.025
   66   2HG2  THR  11          1HG2      THR  11  14.687  -8.036   5.502
   67   3HG2  THR  11          3HG2      THR  11  15.685  -6.773   6.203
   68    H    SER  12           H        SER  12  19.063  -4.309   3.720
   69    HA   SER  12           HA       SER  12  20.595  -5.375   5.850
   70   1HB   SER  12          2HB       SER  12  20.379  -2.434   4.968
   71   2HB   SER  12          1HB       SER  12  21.621  -3.075   6.059
   72    HG   SER  12           HG       SER  12  22.612  -3.774   4.362
   73    H    TYR  13           H        TYR  13  17.996  -3.209   5.782
   74    HA   TYR  13           HA       TYR  13  16.419  -2.488   7.320
   75   1HB   TYR  13          2HB       TYR  13  17.524  -4.897   8.581
   76   2HB   TYR  13          1HB       TYR  13  17.539  -3.651   9.805
   77    HD1  TYR  13           HD1      TYR  13  15.171  -2.123   9.573
   78    HD2  TYR  13           HD2      TYR  13  15.664  -6.261   8.683
   79    HE1  TYR  13           HE1      TYR  13  12.789  -2.495   9.937
   80    HE2  TYR  13           HE2      TYR  13  13.280  -6.630   9.054
   81    HH   TYR  13           HH       TYR  13  11.048  -4.456   8.991
   82    H    ASN  14           H        ASN  14  19.009  -1.577   6.557
   83    HA   ASN  14           HA       ASN  14  19.606   0.257   8.795
   84   1HB   ASN  14          2HB       ASN  14  21.430  -1.312   8.398
   85   2HB   ASN  14          1HB       ASN  14  21.491  -0.883   6.698
   86   1HD2  ASN  14          2HD2      ASN  14  23.743   1.702   7.326
   87   2HD2  ASN  14          1HD2      ASN  14  23.073   0.633   6.184
   88    H    CYS  15           H        CYS  15  18.153   0.407   5.776
   89    HA   CYS  15           HA       CYS  15  19.427   3.018   5.140
   90   1HB   CYS  15          2HB       CYS  15  17.432   1.348   3.554
   91   2HB   CYS  15          1HB       CYS  15  18.141   2.852   3.075
   92    H    CYS  16           H        CYS  16  18.439   4.814   5.567
   93    HA   CYS  16           HA       CYS  16  16.206   5.016   7.337
   94   1HB   CYS  16          2HB       CYS  16  16.973   7.079   5.264
   95   2HB   CYS  16          1HB       CYS  16  16.089   7.371   6.739
   96    H    ARG  17           H        ARG  17  16.153   4.348   4.079
   97    HA   ARG  17           HA       ARG  17  13.216   4.811   3.821
   98   1HB   ARG  17          2HB       ARG  17  15.465   4.936   1.794
   99   2HB   ARG  17          1HB       ARG  17  13.774   4.979   1.311
  100   1HG   ARG  17          2HG       ARG  17  14.763   6.943   3.408
  101   2HG   ARG  17          1HG       ARG  17  15.186   7.226   1.732
  102   1HD   ARG  17          2HD       ARG  17  13.050   8.363   2.501
  103   2HD   ARG  17          1HD       ARG  17  12.842   7.341   1.087
  104    HE   ARG  17           HE       ARG  17  11.922   5.589   2.644
  105   1HH1  ARG  17          1HH2      ARG  17  12.511   6.395   5.235
  106   2HH1  ARG  17          2HH2      ARG  17  11.162   7.331   5.775
  107   1HH2  ARG  17          2HH1      ARG  17  10.086   7.805   2.440
  108   2HH2  ARG  17          1HH1      ARG  17   9.682   8.191   4.078
  109    H    SER  18           H        SER  18  15.556   2.879   2.086
  110    HA   SER  18           HA       SER  18  14.760   0.258   2.673
  111   1HB   SER  18          2HB       SER  18  13.434   1.454   0.148
  112   2HB   SER  18          1HB       SER  18  13.713  -0.272   0.299
  113    HG   SER  18           HG       SER  18  12.465   0.958   2.472
  114    H    CYS  19           H        CYS  19  15.614  -1.122   0.564
  115    HA   CYS  19           HA       CYS  19  18.212   0.120  -0.186
  116   1HB   CYS  19          2HB       CYS  19  18.395  -1.833   1.236
  117   2HB   CYS  19          1HB       CYS  19  17.401  -2.767   0.148
  118    H    ASN  20           H        ASN  20  19.146  -0.478  -2.287
  119    HA   ASN  20           HA       ASN  20  17.169  -0.863  -4.401
  120   1HB   ASN  20          2HB       ASN  20  18.150   1.364  -4.241
  121   2HB   ASN  20          1HB       ASN  20  19.742   0.624  -4.383
  122   1HD2  ASN  20          2HD2      ASN  20  17.366   0.773  -7.591
  123   2HD2  ASN  20          1HD2      ASN  20  16.765   1.334  -6.112
  124    HA   HYP  21           HA       HYP  21  19.371  -4.630  -4.869
  125   1HB   HYP  21          1HB       HYP  21  17.153  -5.505  -4.997
  126   2HB   HYP  21          2HB       HYP  21  17.766  -5.902  -6.611
  127   1HD   HYP  21          1HD       HYP  21  16.134  -2.936  -4.719
  128   2HD   HYP  21          2HD       HYP  21  16.528  -1.923  -6.131
  129    HOD  HYP  21           HOD2     HYP  21  15.190  -4.812  -5.440
  130    HG   HYP  21           HG       HYP  21  16.796  -3.835  -7.594
  131    H    TYR  22           H        TYR  22  19.341  -2.102  -6.955
  132    HA   TYR  22           HA       TYR  22  21.026  -3.618  -8.865
  133   1HB   TYR  22          2HB       TYR  22  19.406  -1.058  -9.431
  134   2HB   TYR  22          1HB       TYR  22  20.295  -1.952 -10.648
  135    HD1  TYR  22           HD2      TYR  22  19.259  -4.790  -9.495
  136    HD2  TYR  22           HD1      TYR  22  17.340  -1.179 -10.701
  137    HE1  TYR  22           HE2      TYR  22  17.239  -6.037 -10.018
  138    HE2  TYR  22           HE1      TYR  22  15.315  -2.452 -11.228
  139    HH   TYR  22           HH       TYR  22  14.664  -5.391 -10.130
  140    H    THR  23           H        THR  23  21.194  -1.429  -6.600
  141    HA   THR  23           HA       THR  23  23.812  -0.451  -7.693
  142    HB   THR  23           HB       THR  23  23.323   1.700  -6.385
  143    HG1  THR  23           HG1      THR  23  20.705   0.956  -6.133
  144   1HG2  THR  23          1HG2      THR  23  20.945   0.948  -8.199
  145   2HG2  THR  23          3HG2      THR  23  21.458   2.573  -7.765
  146   3HG2  THR  23          2HG2      THR  23  22.466   1.571  -8.797
  147    H    LYS  24           H        LYS  24  21.647  -1.419  -5.207
  148    HA   LYS  24           HA       LYS  24  21.872  -2.556  -3.294
  149   1HB   LYS  24          2HB       LYS  24  24.926  -2.587  -3.559
  150   2HB   LYS  24          1HB       LYS  24  23.947  -3.673  -2.634
  151   1HG   LYS  24          2HG       LYS  24  24.026  -3.700  -5.679
  152   2HG   LYS  24          1HG       LYS  24  24.668  -4.928  -4.614
  153   1HD   LYS  24          2HD       LYS  24  22.254  -5.181  -3.669
  154   2HD   LYS  24          1HD       LYS  24  21.741  -4.169  -5.007
  155   1HE   LYS  24          2HE       LYS  24  21.481  -6.508  -5.658
  156   2HE   LYS  24          1HE       LYS  24  22.790  -5.823  -6.602
  157   1HZ   LYS  24          2HZ       LYS  24  23.839  -6.774  -4.179
  158   2HZ   LYS  24          1HZ       LYS  24  22.879  -8.001  -4.850
  159   3HZ   LYS  24          3HZ       LYS  24  24.148  -7.331  -5.755
  160    H    ARG  25           H        ARG  25  21.681  -0.052  -3.734
  161    HA   ARG  25           HA       ARG  25  23.254   1.349  -1.635
  162   1HB   ARG  25          2HB       ARG  25  22.007   2.548  -4.061
  163   2HB   ARG  25          1HB       ARG  25  22.855   3.283  -2.704
  164   1HG   ARG  25          2HG       ARG  25  24.875   1.952  -3.173
  165   2HG   ARG  25          1HG       ARG  25  24.093   1.189  -4.524
  166   1HD   ARG  25          2HD       ARG  25  23.827   3.759  -5.337
  167   2HD   ARG  25          1HD       ARG  25  25.212   3.962  -4.250
  168    HE   ARG  25           HE       ARG  25  25.165   2.266  -6.672
  169   1HH1  ARG  25          1HH2      ARG  25  26.607   0.633  -5.221
  170   2HH1  ARG  25          2HH2      ARG  25  28.228   1.247  -5.093
  171   1HH2  ARG  25          2HH1      ARG  25  27.043   4.478  -5.968
  172   2HH2  ARG  25          1HH1      ARG  25  28.486   3.624  -5.530
  173    H    CYS  26           H        CYS  26  21.932   2.777  -0.395
  174    HA   CYS  26           HA       CYS  26  19.369   1.674   0.168
  175   1HB   CYS  26          2HB       CYS  26  20.833   4.209   0.720
  176   2HB   CYS  26          1HB       CYS  26  19.242   3.929   1.466
  177    H    TYR  27           H        TYR  27  17.400   2.440  -0.604
  178    HA   TYR  27           HA       TYR  27  17.304   3.291  -3.324
  179   1HB   TYR  27          2HB       TYR  27  15.417   2.278  -1.429
  180   2HB   TYR  27          1HB       TYR  27  14.779   3.840  -1.897
  181    HD1  TYR  27           HD1      TYR  27  15.284   4.253  -4.641
  182    HD2  TYR  27           HD2      TYR  27  14.536   0.531  -2.702
  183    HE1  TYR  27           HE1      TYR  27  14.492   3.289  -6.755
  184    HE2  TYR  27           HE2      TYR  27  13.753  -0.416  -4.804
  185    HH   TYR  27           HH       TYR  27  12.819   0.362  -6.966
  186   1HN   NH2  28          1HT       TYR  27  16.693   5.179  -0.338
  187   2HN   NH2  28          2HT       TYR  27  16.844   6.687  -1.120
   
  No H/Q in entry =         187
  Start of MODEL   19
    1   1H    CYS   1          2H        CYS   1  21.147   6.243  10.502
    2   2H    CYS   1          1H        CYS   1  19.578   5.878  11.039
    3   3H    CYS   1          3H        CYS   1  20.869   4.820  11.395
    4    HA   CYS   1           HA       CYS   1  20.551   3.720   9.528
    5   1HB   CYS   1          2HB       CYS   1  18.552   4.343   8.116
    6   2HB   CYS   1          1HB       CYS   1  18.187   4.229   9.813
    7    H    LYS   2           H        LYS   2  20.300   4.110   7.021
    8    HA   LYS   2           HA       LYS   2  22.364   6.133   6.281
    9   1HB   LYS   2          2HB       LYS   2  21.662   3.462   5.036
   10   2HB   LYS   2          1HB       LYS   2  22.637   4.629   4.272
   11   1HG   LYS   2          2HG       LYS   2  23.165   3.499   7.054
   12   2HG   LYS   2          1HG       LYS   2  23.737   2.761   5.560
   13   1HD   LYS   2          2HD       LYS   2  24.982   4.935   5.056
   14   2HD   LYS   2          1HD       LYS   2  24.529   5.495   6.662
   15   1HE   LYS   2          2HE       LYS   2  25.668   3.600   7.721
   16   2HE   LYS   2          1HE       LYS   2  26.059   2.898   6.155
   17   1HZ   LYS   2          3HZ       LYS   2  26.952   5.549   6.188
   18   2HZ   LYS   2          2HZ       LYS   2  27.497   4.797   7.608
   19   3HZ   LYS   2          1HZ       LYS   2  27.878   4.130   6.093
   20    H    SER   3           H        SER   3  22.276   7.154   4.228
   21    HA   SER   3           HA       SER   3  19.568   7.712   3.381
   22   1HB   SER   3          2HB       SER   3  21.041   9.438   1.958
   23   2HB   SER   3          1HB       SER   3  21.058   9.691   3.716
   24    HG   SER   3           HG       SER   3  22.993   8.538   2.045
   25    HA   HYP   4           HA       HYP   4  20.156   5.350  -0.472
   26   1HB   HYP   4          1HB       HYP   4  18.814   6.551  -1.957
   27   2HB   HYP   4          2HB       HYP   4  20.110   7.699  -2.203
   28   1HD   HYP   4          1HD       HYP   4  18.009   7.136   1.151
   29   2HD   HYP   4          2HD       HYP   4  18.942   8.581   1.576
   30    HOD  HYP   4           HOD2     HYP   4  16.967   8.499  -0.081
   31    HG   HYP   4           HG       HYP   4  19.197   9.297  -0.686
   32    H    GLY   5           H        GLY   5  21.622   5.028  -2.153
   33   1HA   GLY   5          2HA       GLY   5  23.797   5.179  -3.109
   34   2HA   GLY   5          1HA       GLY   5  24.085   6.648  -2.170
   35    H    SER   6           H        SER   6  23.328   5.334   0.315
   36    HA   SER   6           HA       SER   6  25.906   4.390   1.170
   37   1HB   SER   6          2HB       SER   6  23.141   3.823   2.364
   38   2HB   SER   6          1HB       SER   6  24.677   3.650   3.232
   39    HG   SER   6           HG       SER   6  23.304   5.943   2.448
   40    H    SER   7           H        SER   7  26.336   1.992   1.512
   41    HA   SER   7           HA       SER   7  24.949   0.520  -0.601
   42   1HB   SER   7          2HB       SER   7  27.151  -0.733   1.127
   43   2HB   SER   7          1HB       SER   7  26.819  -0.998  -0.592
   44    HG   SER   7           HG       SER   7  27.943   0.688  -1.056
   45    H    CYS   8           H        CYS   8  23.555  -1.027  -0.338
   46    HA   CYS   8           HA       CYS   8  23.081  -2.036   2.450
   47   1HB   CYS   8          2HB       CYS   8  20.647  -2.147   1.682
   48   2HB   CYS   8          1HB       CYS   8  21.301  -0.575   1.939
   49    H    SER   9           H        SER   9  21.437  -3.704   2.369
   50    HA   SER   9           HA       SER   9  22.051  -6.024   0.621
   51   1HB   SER   9          2HB       SER   9  22.878  -6.231   3.128
   52   2HB   SER   9          1HB       SER   9  21.200  -5.941   3.588
   53    HG   SER   9           HG       SER   9  22.261  -8.271   2.869
   54    HA   HYP  10           HA       HYP  10  17.846  -5.307  -0.582
   55   1HB   HYP  10          1HB       HYP  10  17.417  -7.376  -1.538
   56   2HB   HYP  10          2HB       HYP  10  16.692  -7.871  -0.008
   57   1HD   HYP  10          1HD       HYP  10  20.302  -7.179  -1.231
   58   2HD   HYP  10          2HD       HYP  10  20.835  -7.834   0.342
   59    HOD  HYP  10           HOD2     HYP  10  18.648 -10.066  -1.118
   60    HG   HYP  10           HG       HYP  10  18.733  -8.968   0.728
   61    H    THR  11           H        THR  11  18.461  -6.858   2.368
   62    HA   THR  11           HA       THR  11  16.348  -5.224   3.761
   63    HB   THR  11           HB       THR  11  17.030  -8.181   4.382
   64    HG1  THR  11           HG1      THR  11  15.433  -6.907   2.588
   65   1HG2  THR  11          3HG2      THR  11  14.652  -6.429   5.245
   66   2HG2  THR  11          2HG2      THR  11  14.935  -8.102   5.686
   67   3HG2  THR  11          1HG2      THR  11  15.982  -6.852   6.322
   68    H    SER  12           H        SER  12  19.065  -4.284   3.574
   69    HA   SER  12           HA       SER  12  20.694  -5.202   5.723
   70   1HB   SER  12          2HB       SER  12  20.485  -2.504   4.318
   71   2HB   SER  12          1HB       SER  12  21.507  -2.666   5.752
   72    HG   SER  12           HG       SER  12  22.887  -3.655   4.544
   73    H    TYR  13           H        TYR  13  17.934  -3.169   5.779
   74    HA   TYR  13           HA       TYR  13  16.582  -2.342   7.495
   75   1HB   TYR  13          2HB       TYR  13  17.849  -4.761   8.636
   76   2HB   TYR  13          1HB       TYR  13  17.821  -3.515   9.862
   77    HD1  TYR  13           HD1      TYR  13  15.576  -4.936   7.222
   78    HD2  TYR  13           HD2      TYR  13  15.862  -3.372  11.164
   79    HE1  TYR  13           HE1      TYR  13  13.199  -5.407   7.571
   80    HE2  TYR  13           HE2      TYR  13  13.479  -3.841  11.515
   81    HH   TYR  13           HH       TYR  13  11.351  -4.407   9.125
   82    H    ASN  14           H        ASN  14  19.053  -1.444   6.463
   83    HA   ASN  14           HA       ASN  14  19.860   0.332   8.652
   84   1HB   ASN  14          2HB       ASN  14  21.619  -1.348   8.070
   85   2HB   ASN  14          1HB       ASN  14  21.630  -0.723   6.424
   86   1HD2  ASN  14          2HD2      ASN  14  24.035   1.634   7.233
   87   2HD2  ASN  14          1HD2      ASN  14  23.345   0.633   6.047
   88    H    CYS  15           H        CYS  15  18.143   0.487   5.959
   89    HA   CYS  15           HA       CYS  15  19.309   3.088   5.076
   90   1HB   CYS  15          2HB       CYS  15  17.420   1.241   3.531
   91   2HB   CYS  15          1HB       CYS  15  18.136   2.725   3.006
   92    H    CYS  16           H        CYS  16  18.261   4.779   5.571
   93    HA   CYS  16           HA       CYS  16  16.002   4.911   7.266
   94   1HB   CYS  16          2HB       CYS  16  16.805   6.976   5.213
   95   2HB   CYS  16          1HB       CYS  16  15.868   7.281   6.644
   96    H    ARG  17           H        ARG  17  16.022   4.256   3.963
   97    HA   ARG  17           HA       ARG  17  13.051   4.610   3.776
   98   1HB   ARG  17          2HB       ARG  17  15.278   5.166   1.820
   99   2HB   ARG  17          1HB       ARG  17  13.624   5.001   1.243
  100   1HG   ARG  17          2HG       ARG  17  14.499   7.008   3.409
  101   2HG   ARG  17          1HG       ARG  17  14.434   7.399   1.703
  102   1HD   ARG  17          2HD       ARG  17  11.956   6.759   1.716
  103   2HD   ARG  17          1HD       ARG  17  12.082   6.528   3.448
  104    HE   ARG  17           HE       ARG  17  11.239   8.824   2.797
  105   1HH1  ARG  17          1HH2      ARG  17  13.833   9.282   1.253
  106   2HH1  ARG  17          2HH2      ARG  17  14.623  10.440   2.270
  107   1HH2  ARG  17          2HH1      ARG  17  12.376   9.697   4.899
  108   2HH2  ARG  17          1HH1      ARG  17  13.724  10.709   4.494
  109    H    SER  18           H        SER  18  15.669   2.814   2.162
  110    HA   SER  18           HA       SER  18  14.858   0.211   2.569
  111   1HB   SER  18          2HB       SER  18  12.720   0.827   1.159
  112   2HB   SER  18          1HB       SER  18  13.809   1.163  -0.189
  113    HG   SER  18           HG       SER  18  12.902  -1.174   0.429
  114    H    CYS  19           H        CYS  19  15.641  -0.945   0.287
  115    HA   CYS  19           HA       CYS  19  18.387   0.142  -0.181
  116   1HB   CYS  19          2HB       CYS  19  18.250  -2.081   0.882
  117   2HB   CYS  19          1HB       CYS  19  17.339  -2.662  -0.481
  118    H    ASN  20           H        ASN  20  19.351  -0.485  -2.404
  119    HA   ASN  20           HA       ASN  20  17.345  -0.156  -4.551
  120   1HB   ASN  20          2HB       ASN  20  18.809   1.804  -4.220
  121   2HB   ASN  20          1HB       ASN  20  20.189   0.786  -4.531
  122   1HD2  ASN  20          2HD2      ASN  20  17.963   0.529  -7.796
  123   2HD2  ASN  20          1HD2      ASN  20  17.544  -0.322  -6.401
  124    HA   HYP  21           HA       HYP  21  19.175  -4.329  -4.559
  125   1HB   HYP  21          1HB       HYP  21  17.097  -5.394  -4.488
  126   2HB   HYP  21          2HB       HYP  21  17.107  -5.327  -6.249
  127   1HD   HYP  21          1HD       HYP  21  16.621  -2.998  -3.297
  128   2HD   HYP  21          2HD       HYP  21  16.163  -1.687  -4.401
  129    HOD  HYP  21           HOD2     HYP  21  14.487  -4.726  -5.252
  130    HG   HYP  21           HG       HYP  21  15.807  -3.223  -6.259
  131    H    TYR  22           H        TYR  22  19.159  -1.978  -6.900
  132    HA   TYR  22           HA       TYR  22  20.613  -3.912  -8.615
  133   1HB   TYR  22          2HB       TYR  22  18.728  -1.615  -9.507
  134   2HB   TYR  22          1HB       TYR  22  19.813  -2.396 -10.646
  135    HD1  TYR  22           HD1      TYR  22  17.177  -3.259  -8.098
  136    HD2  TYR  22           HD2      TYR  22  19.066  -4.338 -11.763
  137    HE1  TYR  22           HE1      TYR  22  15.590  -5.088  -8.376
  138    HE2  TYR  22           HE2      TYR  22  17.461  -6.173 -12.036
  139    HH   TYR  22           HH       TYR  22  15.842  -7.516  -9.822
  140    H    THR  23           H        THR  23  21.273  -1.929  -6.673
  141    HA   THR  23           HA       THR  23  23.753  -1.068  -8.060
  142    HB   THR  23           HB       THR  23  23.478   1.248  -7.016
  143    HG1  THR  23           HG1      THR  23  21.141   1.430  -6.289
  144   1HG2  THR  23          3HG2      THR  23  22.409   0.868  -9.326
  145   2HG2  THR  23          2HG2      THR  23  20.918   0.433  -8.514
  146   3HG2  THR  23          1HG2      THR  23  21.537   2.059  -8.379
  147    H    LYS  24           H        LYS  24  21.691  -1.322  -5.311
  148    HA   LYS  24           HA       LYS  24  21.856  -2.469  -3.309
  149   1HB   LYS  24          2HB       LYS  24  24.881  -2.712  -3.603
  150   2HB   LYS  24          1HB       LYS  24  23.828  -3.612  -2.559
  151   1HG   LYS  24          2HG       LYS  24  22.613  -4.516  -4.679
  152   2HG   LYS  24          1HG       LYS  24  24.029  -3.980  -5.558
  153   1HD   LYS  24          2HD       LYS  24  25.492  -5.426  -4.137
  154   2HD   LYS  24          1HD       LYS  24  24.082  -5.910  -3.204
  155   1HE   LYS  24          2HE       LYS  24  24.573  -7.617  -4.932
  156   2HE   LYS  24          1HE       LYS  24  23.028  -6.854  -5.262
  157   1HZ   LYS  24          1HZ       LYS  24  25.084  -5.357  -6.481
  158   2HZ   LYS  24          3HZ       LYS  24  25.259  -6.986  -6.910
  159   3HZ   LYS  24          2HZ       LYS  24  23.788  -6.179  -7.203
  160    H    ARG  25           H        ARG  25  21.807   0.072  -3.847
  161    HA   ARG  25           HA       ARG  25  23.479   1.401  -1.741
  162   1HB   ARG  25          2HB       ARG  25  21.993   2.819  -3.874
  163   2HB   ARG  25          1HB       ARG  25  23.271   3.308  -2.773
  164   1HG   ARG  25          2HG       ARG  25  24.953   2.053  -3.975
  165   2HG   ARG  25          1HG       ARG  25  23.761   1.362  -5.044
  166   1HD   ARG  25          2HD       ARG  25  23.237   3.994  -5.550
  167   2HD   ARG  25          1HD       ARG  25  24.851   4.201  -4.908
  168    HE   ARG  25           HE       ARG  25  25.612   2.536  -6.660
  169   1HH1  ARG  25          2HH1      ARG  25  22.488   3.797  -7.194
  170   2HH1  ARG  25          1HH1      ARG  25  22.723   4.064  -8.880
  171   1HH2  ARG  25          1HH2      ARG  25  26.087   3.118  -8.700
  172   2HH2  ARG  25          2HH2      ARG  25  24.840   3.647  -9.774
  173    H    CYS  26           H        CYS  26  22.067   2.753  -0.361
  174    HA   CYS  26           HA       CYS  26  19.547   1.548   0.171
  175   1HB   CYS  26          2HB       CYS  26  20.946   4.056   0.779
  176   2HB   CYS  26          1HB       CYS  26  19.317   3.793   1.482
  177    H    TYR  27           H        TYR  27  17.507   2.240  -0.622
  178    HA   TYR  27           HA       TYR  27  17.355   3.103  -3.294
  179   1HB   TYR  27          2HB       TYR  27  15.499   1.973  -1.610
  180   2HB   TYR  27          1HB       TYR  27  14.935   3.644  -1.520
  181    HD1  TYR  27           HD1      TYR  27  15.082   4.869  -3.990
  182    HD2  TYR  27           HD2      TYR  27  14.549   0.694  -3.318
  183    HE1  TYR  27           HE1      TYR  27  14.178   4.620  -6.210
  184    HE2  TYR  27           HE2      TYR  27  13.650   0.442  -5.544
  185    HH   TYR  27           HH       TYR  27  13.029   3.231  -7.601
  186   1HN   NH2  28          1HT       TYR  27  16.683   5.075  -0.385
  187   2HN   NH2  28          2HT       TYR  27  16.944   6.549  -1.202
   
  No H/Q in entry =         187
  Start of MODEL   20
    1   1H    CYS   1          3H        CYS   1  21.540   5.428  10.837
    2   2H    CYS   1          2H        CYS   1  19.975   5.090  11.409
    3   3H    CYS   1          1H        CYS   1  21.182   3.891  11.471
    4    HA   CYS   1           HA       CYS   1  20.666   3.193   9.456
    5   1HB   CYS   1          2HB       CYS   1  18.652   4.007   8.394
    6   2HB   CYS   1          1HB       CYS   1  18.383   4.114  10.111
    7    H    LYS   2           H        LYS   2  20.260   4.122   7.102
    8    HA   LYS   2           HA       LYS   2  22.140   6.326   6.558
    9   1HB   LYS   2          2HB       LYS   2  22.177   3.511   5.551
   10   2HB   LYS   2          1HB       LYS   2  22.841   4.774   4.609
   11   1HG   LYS   2          2HG       LYS   2  24.021   5.436   7.003
   12   2HG   LYS   2          1HG       LYS   2  23.515   3.848   7.500
   13   1HD   LYS   2          2HD       LYS   2  24.965   2.859   5.667
   14   2HD   LYS   2          1HD       LYS   2  25.470   4.486   5.267
   15   1HE   LYS   2          2HE       LYS   2  26.363   4.820   7.568
   16   2HE   LYS   2          1HE       LYS   2  25.869   3.197   8.019
   17   1HZ   LYS   2          2HZ       LYS   2  27.383   3.061   5.651
   18   2HZ   LYS   2          1HZ       LYS   2  28.230   4.000   6.780
   19   3HZ   LYS   2          3HZ       LYS   2  27.752   2.425   7.182
   20    H    SER   3           H        SER   3  22.090   7.280   4.479
   21    HA   SER   3           HA       SER   3  19.452   7.381   3.389
   22   1HB   SER   3          2HB       SER   3  20.982   9.357   2.159
   23   2HB   SER   3          1HB       SER   3  20.232   9.602   3.747
   24    HG   SER   3           HG       SER   3  22.251   9.706   4.447
   25    HA   HYP   4           HA       HYP   4  20.106   5.493  -0.551
   26   1HB   HYP   4          1HB       HYP   4  18.694   6.746  -1.895
   27   2HB   HYP   4          2HB       HYP   4  19.941   7.937  -2.125
   28   1HD   HYP   4          1HD       HYP   4  17.984   6.998   1.186
   29   2HD   HYP   4          2HD       HYP   4  18.805   8.461   1.755
   30    HOD  HYP   4           HOD2     HYP   4  16.914   8.872  -0.064
   31    HG   HYP   4           HG       HYP   4  19.105   9.379  -0.427
   32    H    GLY   5           H        GLY   5  21.617   4.934  -1.908
   33   1HA   GLY   5          2HA       GLY   5  23.700   5.190  -3.098
   34   2HA   GLY   5          1HA       GLY   5  23.966   6.743  -2.284
   35    H    SER   6           H        SER   6  23.142   5.307   0.276
   36    HA   SER   6           HA       SER   6  25.839   4.513   1.071
   37   1HB   SER   6          2HB       SER   6  24.242   5.371   2.830
   38   2HB   SER   6          1HB       SER   6  23.083   4.100   2.400
   39    HG   SER   6           HG       SER   6  24.186   2.820   3.625
   40    H    SER   7           H        SER   7  26.203   2.105   1.454
   41    HA   SER   7           HA       SER   7  24.813   0.622  -0.642
   42   1HB   SER   7          2HB       SER   7  26.985  -0.605   1.115
   43   2HB   SER   7          1HB       SER   7  26.694  -0.869  -0.614
   44    HG   SER   7           HG       SER   7  27.673   0.950  -1.080
   45    H    CYS   8           H        CYS   8  23.405  -0.941  -0.413
   46    HA   CYS   8           HA       CYS   8  22.791  -1.893   2.364
   47   1HB   CYS   8          2HB       CYS   8  20.458  -2.169   1.530
   48   2HB   CYS   8          1HB       CYS   8  20.995  -0.549   1.512
   49    H    SER   9           H        SER   9  21.214  -3.634   2.169
   50    HA   SER   9           HA       SER   9  21.943  -6.043   0.634
   51   1HB   SER   9          2HB       SER   9  22.813  -5.950   3.178
   52   2HB   SER   9          1HB       SER   9  21.101  -5.895   3.585
   53    HG   SER   9           HG       SER   9  22.480  -8.083   2.995
   54    HA   HYP  10           HA       HYP  10  17.783  -5.249  -0.555
   55   1HB   HYP  10          1HB       HYP  10  17.256  -7.293  -1.463
   56   2HB   HYP  10          2HB       HYP  10  16.556  -7.745   0.092
   57   1HD   HYP  10          1HD       HYP  10  20.214  -7.187  -1.149
   58   2HD   HYP  10          2HD       HYP  10  20.679  -7.853   0.441
   59    HOD  HYP  10           HOD2     HYP  10  18.105  -9.794  -1.271
   60    HG   HYP  10           HG       HYP  10  18.559  -8.954   0.756
   61    H    THR  11           H        THR  11  18.337  -6.733   2.442
   62    HA   THR  11           HA       THR  11  16.300  -4.983   3.751
   63    HB   THR  11           HB       THR  11  15.717  -6.936   5.284
   64    HG1  THR  11           HG1      THR  11  17.711  -7.930   5.063
   65   1HG2  THR  11          3HG2      THR  11  14.428  -6.744   3.061
   66   2HG2  THR  11          2HG2      THR  11  15.626  -7.808   2.341
   67   3HG2  THR  11          1HG2      THR  11  14.588  -8.404   3.623
   68    H    SER  12           H        SER  12  18.870  -4.006   3.704
   69    HA   SER  12           HA       SER  12  20.562  -5.070   5.756
   70   1HB   SER  12          2HB       SER  12  20.325  -2.175   4.743
   71   2HB   SER  12          1HB       SER  12  21.597  -2.746   5.838
   72    HG   SER  12           HG       SER  12  22.519  -3.648   4.202
   73    H    TYR  13           H        TYR  13  17.996  -2.739   5.876
   74    HA   TYR  13           HA       TYR  13  16.599  -1.971   7.577
   75   1HB   TYR  13          2HB       TYR  13  18.194  -3.945   9.370
   76   2HB   TYR  13          1HB       TYR  13  16.905  -2.923   9.940
   77    HD1  TYR  13           HD1      TYR  13  14.604  -3.092   8.719
   78    HD2  TYR  13           HD2      TYR  13  17.650  -6.063   8.427
   79    HE1  TYR  13           HE1      TYR  13  12.934  -4.752   8.020
   80    HE2  TYR  13           HE2      TYR  13  15.984  -7.703   7.735
   81    HH   TYR  13           HH       TYR  13  13.711  -8.126   7.664
   82    H    ASN  14           H        ASN  14  19.311  -1.314   6.695
   83    HA   ASN  14           HA       ASN  14  20.087   0.532   8.852
   84   1HB   ASN  14          2HB       ASN  14  21.901  -1.102   8.374
   85   2HB   ASN  14          1HB       ASN  14  21.840  -0.716   6.664
   86   1HD2  ASN  14          2HD2      ASN  14  24.112   1.933   7.080
   87   2HD2  ASN  14          1HD2      ASN  14  23.428   0.796   6.018
   88    H    CYS  15           H        CYS  15  18.475   0.434   6.069
   89    HA   CYS  15           HA       CYS  15  19.500   3.046   5.057
   90   1HB   CYS  15          2HB       CYS  15  17.730   1.013   3.559
   91   2HB   CYS  15          1HB       CYS  15  18.290   2.549   3.009
   92    H    CYS  16           H        CYS  16  18.359   4.680   5.873
   93    HA   CYS  16           HA       CYS  16  15.689   4.268   7.009
   94   1HB   CYS  16          2HB       CYS  16  17.327   6.665   6.468
   95   2HB   CYS  16          1HB       CYS  16  15.631   6.979   6.616
   96    H    ARG  17           H        ARG  17  15.972   3.704   4.044
   97    HA   ARG  17           HA       ARG  17  13.326   4.788   3.281
   98   1HB   ARG  17          2HB       ARG  17  15.930   5.220   1.793
   99   2HB   ARG  17          1HB       ARG  17  14.422   5.147   0.885
  100   1HG   ARG  17          2HG       ARG  17  13.547   6.881   2.688
  101   2HG   ARG  17          1HG       ARG  17  15.231   7.095   3.086
  102   1HD   ARG  17          2HD       ARG  17  15.758   7.956   0.931
  103   2HD   ARG  17          1HD       ARG  17  14.267   7.372   0.211
  104    HE   ARG  17           HE       ARG  17  14.372   9.557   2.262
  105   1HH1  ARG  17          2HH1      ARG  17  11.977   7.879   1.450
  106   2HH1  ARG  17          1HH1      ARG  17  11.119   8.948   0.391
  107   1HH2  ARG  17          1HH2      ARG  17  14.000  10.988   0.141
  108   2HH2  ARG  17          2HH2      ARG  17  12.361  10.866  -0.418
  109    H    SER  18           H        SER  18  15.905   2.593   2.428
  110    HA   SER  18           HA       SER  18  14.957   0.150   2.397
  111   1HB   SER  18          2HB       SER  18  13.629   1.534   0.006
  112   2HB   SER  18          1HB       SER  18  14.039  -0.180  -0.116
  113    HG   SER  18           HG       SER  18  12.267   1.137   1.543
  114    H    CYS  19           H        CYS  19  15.715  -1.198   0.422
  115    HA   CYS  19           HA       CYS  19  18.449  -0.269  -0.271
  116   1HB   CYS  19          2HB       CYS  19  18.209  -2.448   0.908
  117   2HB   CYS  19          1HB       CYS  19  17.182  -3.022  -0.375
  118    H    ASN  20           H        ASN  20  19.239  -0.506  -2.421
  119    HA   ASN  20           HA       ASN  20  17.231  -0.496  -4.588
  120   1HB   ASN  20          2HB       ASN  20  18.432   1.578  -4.302
  121   2HB   ASN  20          1HB       ASN  20  19.963   0.746  -4.459
  122   1HD2  ASN  20          2HD2      ASN  20  18.030   0.207  -7.900
  123   2HD2  ASN  20          1HD2      ASN  20  17.530  -0.621  -6.521
  124    HA   HYP  21           HA       HYP  21  19.388  -4.518  -4.613
  125   1HB   HYP  21          1HB       HYP  21  17.427  -5.733  -4.605
  126   2HB   HYP  21          2HB       HYP  21  17.453  -5.644  -6.371
  127   1HD   HYP  21          1HD       HYP  21  16.718  -3.368  -3.401
  128   2HD   HYP  21          2HD       HYP  21  16.175  -2.122  -4.538
  129    HOD  HYP  21           HOD2     HYP  21  14.896  -5.401  -5.299
  130    HG   HYP  21           HG       HYP  21  15.959  -3.679  -6.368
  131    H    TYR  22           H        TYR  22  19.153  -2.148  -6.978
  132    HA   TYR  22           HA       TYR  22  20.809  -3.895  -8.708
  133   1HB   TYR  22          2HB       TYR  22  18.940  -1.565  -9.501
  134   2HB   TYR  22          1HB       TYR  22  19.996  -2.351 -10.661
  135    HD1  TYR  22           HD1      TYR  22  19.825  -4.991 -10.725
  136    HD2  TYR  22           HD2      TYR  22  16.720  -2.461  -9.266
  137    HE1  TYR  22           HE1      TYR  22  18.207  -6.774 -11.084
  138    HE2  TYR  22           HE2      TYR  22  15.097  -4.265  -9.633
  139    HH   TYR  22           HH       TYR  22  16.027  -7.367 -11.034
  140    H    THR  23           H        THR  23  21.270  -1.834  -6.667
  141    HA   THR  23           HA       THR  23  23.797  -0.883  -7.936
  142    HB   THR  23           HB       THR  23  23.440   1.373  -6.768
  143    HG1  THR  23           HG1      THR  23  21.011   1.406  -6.203
  144   1HG2  THR  23          2HG2      THR  23  21.004   0.609  -8.478
  145   2HG2  THR  23          1HG2      THR  23  21.584   2.237  -8.179
  146   3HG2  THR  23          3HG2      THR  23  22.536   1.126  -9.147
  147    H    LYS  24           H        LYS  24  21.660  -1.340  -5.309
  148    HA   LYS  24           HA       LYS  24  21.788  -2.472  -3.303
  149   1HB   LYS  24          2HB       LYS  24  24.816  -2.715  -3.582
  150   2HB   LYS  24          1HB       LYS  24  23.755  -3.694  -2.605
  151   1HG   LYS  24          2HG       LYS  24  22.551  -4.263  -4.940
  152   2HG   LYS  24          1HG       LYS  24  24.119  -3.859  -5.597
  153   1HD   LYS  24          2HD       LYS  24  25.238  -5.572  -4.295
  154   2HD   LYS  24          1HD       LYS  24  23.760  -5.938  -3.414
  155   1HE   LYS  24          2HE       LYS  24  24.157  -6.278  -6.426
  156   2HE   LYS  24          1HE       LYS  24  24.070  -7.578  -5.246
  157   1HZ   LYS  24          2HZ       LYS  24  21.821  -5.946  -4.899
  158   2HZ   LYS  24          1HZ       LYS  24  21.951  -6.273  -6.552
  159   3HZ   LYS  24          3HZ       LYS  24  21.872  -7.546  -5.433
  160    H    ARG  25           H        ARG  25  21.651  -0.027  -3.763
  161    HA   ARG  25           HA       ARG  25  23.333   1.455  -1.769
  162   1HB   ARG  25          2HB       ARG  25  21.771   2.626  -4.000
  163   2HB   ARG  25          1HB       ARG  25  22.866   3.359  -2.851
  164   1HG   ARG  25          2HG       ARG  25  23.847   1.177  -4.691
  165   2HG   ARG  25          1HG       ARG  25  23.816   2.848  -5.220
  166   1HD   ARG  25          2HD       ARG  25  25.345   3.499  -3.454
  167   2HD   ARG  25          1HD       ARG  25  25.228   1.913  -2.689
  168    HE   ARG  25           HE       ARG  25  26.459   0.968  -4.534
  169   1HH1  ARG  25          1HH2      ARG  25  26.120   1.751  -6.866
  170   2HH1  ARG  25          2HH2      ARG  25  27.116   3.112  -7.286
  171   1HH2  ARG  25          2HH1      ARG  25  27.606   3.743  -3.812
  172   2HH2  ARG  25          1HH1      ARG  25  28.051   4.337  -5.376
  173    H    CYS  26           H        CYS  26  21.921   2.841  -0.460
  174    HA   CYS  26           HA       CYS  26  19.395   1.592   0.114
  175   1HB   CYS  26          2HB       CYS  26  20.812   4.154   0.723
  176   2HB   CYS  26          1HB       CYS  26  19.264   3.806   1.541
  177    H    TYR  27           H        TYR  27  17.368   2.394  -0.789
  178    HA   TYR  27           HA       TYR  27  17.566   3.442  -3.443
  179   1HB   TYR  27          2HB       TYR  27  15.353   2.499  -1.709
  180   2HB   TYR  27          1HB       TYR  27  14.851   3.893  -2.642
  181    HD1  TYR  27           HD2      TYR  27  16.405   3.563  -5.173
  182    HD2  TYR  27           HD1      TYR  27  14.355   0.647  -2.833
  183    HE1  TYR  27           HE2      TYR  27  16.135   2.151  -7.144
  184    HE2  TYR  27           HE1      TYR  27  14.087  -0.750  -4.814
  185    HH   TYR  27           HH       TYR  27  14.037  -0.315  -7.410
  186   1HN   NH2  28          1HT       TYR  27  16.624   5.137  -0.451
  187   2HN   NH2  28          2HT       TYR  27  16.786   6.681  -1.155
   
  No H/Q in entry =         187