*HEADER    HORMONE                                 24-JUL-08   2K6U              
*TITLE     THE SOLUTION STRUCTURE OF A CONFORMATIONALLY RESTRICTED               
*TITLE    2 FULLY ACTIVE DERIVATIVE OF THE HUMAN RELAXIN-LIKE FACTOR             
*TITLE    3 (RLF)                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSULIN-LIKE 3 A CHAIN;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 106-131;                                      
*COMPND   5 SYNONYM: LEYDIG INSULIN-LIKE PEPTIDE, LEY-I-L, RELAXIN-              
*COMPND   6 LIKE FACTOR, RLF;                                                    
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: INSULIN-LIKE 3 B CHAIN;                                    
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 FRAGMENT: UNP RESIDUES 25-51;                                        
*COMPND  12 SYNONYM: LEYDIG INSULIN-LIKE PEPTIDE, LEY-I-L, RELAXIN-              
*COMPND  13 LIKE FACTOR, RLF;                                                    
*COMPND  14 ENGINEERED: YES;                                                     
*COMPND  15 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.;            
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.             
*KEYWDS    PROTEIN, CROSS-LINK, ISOPEPTIDE, CLEAVAGE ON PAIR OF BASIC            
*KEYWDS   2 RESIDUES, DISEASE MUTATION, HORMONE, POLYMORPHISM, SECRETED          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.E.BULLESBACH, M.A.S.HASS, M.R.JENSEN, D.F.HANSEN,                   
*AUTHOR   2 S.M.KRISTENSEN, C.SCHWABE, J.J.LED                                   
*REVDAT   2   30-DEC-08 2K6U    1       FIXED FORMAT                                    
*REVDAT   1   16-DEC-08 2K6U    0                                                

!restraints dihedral 
assign(resid 111 and name C) (resid 112 and name N)
      (resid 112 and name CA) (resid 112 and name C)     0     -62.39  30  2

assign(resid 112 and name C) (resid 113 and name N)
      (resid 113 and name CA) (resid 113 and name C)     0     -64.93  30  2

assign(resid 113 and name C) (resid 114 and name N)
      (resid 114 and name CA) (resid 114 and name C)     0     -61.00  30  2

assign(resid 114 and name C) (resid 115 and name N)
      (resid 115 and name CA) (resid 115 and name C)     0     -69.48  30  2

assign(resid 115 and name C) (resid 116 and name N)
      (resid 116 and name CA) (resid 116 and name C)     0     -80.05  30  2

assign(resid 116 and name C) (resid 117 and name N)
      (resid 117 and name CA) (resid 117 and name C)     0     -62.93  30  2

assign(resid 121 and name C) (resid 122 and name N)
      (resid 122 and name CA) (resid 122 and name C)     0     -61.10  30  2

assign(resid 122 and name C) (resid 123 and name N)
      (resid 123 and name CA) (resid 123 and name C)     0     -62.99  30  2

assign(resid 123 and name C) (resid 124 and name N)
      (resid 124 and name CA) (resid 124 and name C)     0     -61.31  30  2

assign(resid 124 and name C) (resid 125 and name N)
      (resid 125 and name CA) (resid 125 and name C)     0     -65.42  30  2
 
assign(resid 125 and name C) (resid 126 and name N)
      (resid 126 and name CA) (resid 126 and name C)     0     -63.48  30  2

assign(resid 126 and name C) (resid 127 and name N)
      (resid 127 and name CA) (resid 127 and name C)     0     -64.30  30  2

assign(resid 127 and name C) (resid 128 and name N)
      (resid 128 and name CA) (resid 128 and name C)     0     -86.72  30  2

assign(resid 128 and name C) (resid 129 and name N)
      (resid 129 and name CA) (resid 129 and name C)     0     -76.88  30  2

assign(resid 35 and name C) (resid 36 and name N)
      (resid 36 and name CA) (resid 36 and name C)     0     -73.44  30  2

assign(resid 36 and name C) (resid 37 and name N)
      (resid 37 and name CA) (resid 37 and name C)     0     -60.89  30  2

assign(resid 37 and name C) (resid 38 and name N)
      (resid 38 and name CA) (resid 38 and name C)     0     -63.01  30  2

assign(resid 38 and name C) (resid 39 and name N)
      (resid 39 and name CA) (resid 39 and name C)     0     -64.25  30  2

assign(resid 39 and name C) (resid 40 and name N)
      (resid 40 and name CA) (resid 40 and name C)     0     -61.36  30  2

assign(resid 40 and name C) (resid 41 and name N)
      (resid 41 and name CA) (resid 41 and name C)     0     -62.02  30  2

assign(resid 41 and name C) (resid 42 and name N)
      (resid 42 and name CA) (resid 42 and name C)     0     -66.68  30  2

assign(resid 42 and name C) (resid 43 and name N)
      (resid 43 and name CA) (resid 43 and name C)     0     -62.82  30  2

assign(resid 43 and name C) (resid 44 and name N)
      (resid 44 and name CA) (resid 44 and name C)     0     -61.55  30  2

assign(resid 44 and name C) (resid 45 and name N)
      (resid 45 and name CA) (resid 45 and name C)     0     -66.12  30  2

assign(resid 45 and name C) (resid 46 and name N)
      (resid 46 and name CA) (resid 46 and name C)     0     -91.87  30  2



assign(resid 112 and name N) (resid 112 and name CA)
      (resid 112 and name C) (resid 113 and name N)     0     -43.30  30  2

assign(resid 113 and name N) (resid 113 and name CA)
      (resid 113 and name C) (resid 114 and name N)     0     -40.78  30  2

assign(resid 114 and name N) (resid 114 and name CA)
      (resid 114 and name C) (resid 115 and name N)     0     -46.19  30  2

assign(resid 115 and name N) (resid 115 and name CA)
      (resid 115 and name C) (resid 116 and name N)     0     -23.90  30  2

assign(resid 122 and name N) (resid 122 and name CA)
      (resid 122 and name C) (resid 123 and name N)     0     -38.28  30  2

assign(resid 123 and name N) (resid 123 and name CA)
      (resid 123 and name C) (resid 124 and name N)     0     -41.23  30  2

assign(resid 124 and name N) (resid 124 and name CA)
      (resid 124 and name C) (resid 125 and name N)     0     -41.21  30  2

assign(resid 125 and name N) (resid 125 and name CA)
      (resid 125 and name C) (resid 126 and name N)     0     -39.10  30  2

assign(resid 126 and name N) (resid 126 and name CA)
      (resid 126 and name C) (resid 127 and name N)     0     -43.33  30  2

assign(resid 37 and name N) (resid 37 and name CA)
      (resid 37 and name C) (resid 38 and name N)     0     -40.57  30  2

assign(resid 38 and name N) (resid 38 and name CA)
      (resid 38 and name C) (resid 39 and name N)     0     -39.91  30  2

assign(resid 39 and name N) (resid 39 and name CA)
      (resid 39 and name C) (resid 40 and name N)     0     -42.43  30  2

assign(resid 40 and name N) (resid 40 and name CA)
      (resid 40 and name C) (resid 41 and name N)     0     -40.16  30  2

assign(resid 41 and name N) (resid 41 and name CA)
      (resid 41 and name C) (resid 42 and name N)     0     -40.87  30  2

assign(resid 42 and name N) (resid 42 and name CA)
      (resid 42 and name C) (resid 43 and name N)     0     -39.67  30  2

assign(resid 43 and name N) (resid 43 and name CA)
      (resid 43 and name C) (resid 44 and name N)     0     -42.87  30  2

assign(resid 44 and name N) (resid 44 and name CA)
      (resid 44 and name C) (resid 45 and name N)     0     -40.23  30  2

assign(resid 45 and name N) (resid 45 and name CA)
      (resid 45 and name C) (resid 46 and name N)     0     -34.68  30  2

assign(resid 120 and name N) (resid 120 and name CA)
      (resid 120 and name CB) (resid 120 and name SG)     0      60.00  40  2

assign(resid 128 and name N) (resid 128 and name CA)
      (resid 128 and name CB) (resid 128 and name CG)     0      -60.00  40  2


assign(resid 32 and name N) (resid 32 and name CA)
      (resid 32 and name CB) (resid 32 and name CG)     0     -60.00  40  2

assign(resid 34 and name N) (resid 34 and name CA)
      (resid 34 and name CB) (resid 34 and name SG)     0     -60.00  40  2

assign(resid 37 and name N) (resid 37 and name CA)
      (resid 37 and name CB) (resid 37 and name CG)     0     -60.00  40  2

assign(resid 38 and name N) (resid 38 and name CA)
      (resid 38 and name CB) (resid 38 and name CG)     0     180.00  40  2

assign(resid 40 and name N) (resid 40 and name CA)
      (resid 40 and name CB) (resid 40 and name CG)     0     -60.00  40  2

assign(resid 44 and name N) (resid 44 and name CA)
      (resid 44 and name CB) (resid 44 and name CG)     0     180.00  40  2

assign(resid 39 and name N) (resid 39 and name CA)
      (resid 39 and name CB) (resid 39 and name CG)     0     180.00  40  2

assign(resid 43 and name N) (resid 43 and name CA)
      (resid 43 and name CB) (resid 43 and name CG)     0     180.00  40  2

assign(resid 45 and name N) (resid 45 and name CA)
      (resid 45 and name CB) (resid 45 and name CG)     0     180.00  40  2

assign (residue 115 and name HN) (residue 111 and name O) 1.80 0.00 0.50
assign (residue 115 and name N)  (residue 111 and name O) 2.80 0.00 0.50

assign (residue 116 and name HN) (residue 112 and name O) 1.80 0.00 0.50
assign (residue 116 and name N)  (residue 112 and name O) 2.80 0.00 0.50

assign (residue 126 and name HN) (residue 122 and name O) 1.80 0.00 0.50
assign (residue 126 and name N)  (residue 122 and name O) 2.80 0.00 0.50

assign (residue 127 and name HN) (residue 123 and name O) 1.80 0.00 0.50
assign (residue 127 and name N)  (residue 123 and name O) 2.80 0.00 0.50

assign (residue 40 and name HN) (residue 36 and name O) 1.80 0.00 0.50
assign (residue 40 and name N)  (residue 36 and name O) 2.80 0.00 0.50

assign (residue 41 and name HN) (residue 37 and name O) 1.80 0.00 0.50
assign (residue 41 and name N)  (residue 37 and name O) 2.80 0.00 0.50

assign (residue 42 and name HN) (residue 38 and name O) 1.80 0.00 0.50
assign (residue 42 and name N)  (residue 38 and name O) 2.80 0.00 0.50

assign (residue 43 and name HN) (residue 39 and name O) 1.80 0.00 0.50
assign (residue 43 and name N)  (residue 39 and name O) 2.80 0.00 0.50

assign (residue 44 and name HN) (residue 40 and name O) 1.80 0.00 0.50
assign (residue 44 and name N)  (residue 40 and name O) 2.80 0.00 0.50

assign (residue 45 and name HN) (residue 41 and name O) 1.80 0.00 0.50
assign (residue 45 and name N)  (residue 41 and name O) 2.80 0.00 0.50


#
# List of assignments
#
# Created by Aria 2.0a, Wed Jan 23 06:13:51 2008
#
# Author:  erika
# Date:    Sat May 19 22:43:54 2007
# Project: rlf-clamp
# Run:     080122f
# Path:    /kl5/erika/rlf_aria/clamp2.1/data/run080122f
#
# Abbreviations:
#
# Restraint:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# d:        Average distance found in ensemble [A].
# u:        Upper bound [A]
# u_viol:   Average upper-bound violation [A]
# %_viol:   Percentage of structures in which restraint was violated.
# viol:     yes/no. According to violation analysis, the restraint has (not) been violated.
# a_type:   Assignment type. Valid types are:
#           M (manual):         Restraint stems from existing (complete) cross-peak assignment.
#           S (semi-automatic): Reference cross-peak is only partially assigned. ARIA has
#                               completed the assignment.
#           A (automatic):      Reference cross-peak has not been assigned. ARIA has generated
#                               a list of probable assignments.
#
# reliable: yes(no): Reference peak is (not) marked as 'reliable'. Reliable crosspeaks always
#           enter structure calculation.
#
# Contributions: residue1 atom1  -  residue2 atom2
#
# d:        Average distance found in the structure ensemble [A] +/- standard deviation.
#           If standard-deviation could not be calculated (e.g. if there is only 1 distance),
#           it is set to 'N/A'.
# weight:   The weight which is assigned to every contribution by the 'Partial Assignment'
#           step. The sum of weights over all contributions in a restraint is always greater
#           or equal to the parameter 'weight_threshold' which is defined in the section
#            in the project's xml file.
#

ref_spec: d2o-noesy, ref_peak: 1, id: 570, d: 2.05, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA2 -   LYS32   HA    d: 2.77 +/- 1.36, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 2, id: 571, d: 3.46, u: 3.59, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA3 -   LYS32   HA    d: 3.89 +/- 0.54, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 3, id: 572, d: 1.75, u: 2.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA3 -  GLY119  HA2    d: 1.75 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 4, id: 573, d: 1.76, u: 2.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB3 -  CYS116  HB2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 5, id: 574, d: 3.02, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB3 -  CYS116   HA    d: 2.98 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 6, id: 575, d: 2.45, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB2 -  CYS116   HA    d: 2.55 +/- 0.18, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 7, id: 576, d: 2.10, u: 2.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   LEU33   HA    d: 2.42 +/- 0.71, weight: 1.0
      LEU33 HD22 -   LEU33   HA
      LEU33 HD23 -   LEU33   HA

ref_spec: d2o-noesy, ref_peak: 8, id: 577, d: 2.37, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB3 -   LEU33   HA    d: 2.39 +/- 0.08, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 9, id: 578, d: 3.26, u: 3.45, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG3 -   LYS32   HA    d: 3.38 +/- 0.36, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 10, id: 579, d: 2.25, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG2 -   LYS32   HA    d: 2.36 +/- 0.52, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 11, id: 580, d: 3.84, u: 3.93, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HD3 -   LYS32   HA    d: 3.77 +/- 0.20, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 12, id: 581, d: 2.52, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HB3 -   LYS32   HA    d: 2.53 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 13, id: 582, d: 2.98, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HB2 -   LYS32   HA    d: 2.93 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 14, id: 583, d: 3.31, u: 3.82, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116   HA -   CYS34   HA    d: 3.60 +/- 0.65, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 15, id: 584, d: 2.76, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120  HB2 -  CYS120   HA    d: 2.69 +/- 0.32, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 16, id: 585, d: 2.63, u: 5.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120  HB3 -  CYS120   HA    d: 2.52 +/- 0.24, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 17, id: 586, d: 2.65, u: 3.10, u_viol: 0.13, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU126  HB2 -  GLN123   HA    d: 2.71 +/- 1.68, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 18, id: 587, d: 2.62, u: 3.43, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU126  HB3 -  GLN123   HA    d: 3.63 +/- 0.77, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 19, id: 588, d: 2.89, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41  HB1 -   PHE38   HA    d: 2.96 +/- 0.34, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 20, id: 589, d: 3.12, u: 3.35, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43   HB -   ARG40   HA    d: 3.11 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 21, id: 590, d: 3.28, u: 3.35, u_viol: 0.20, %_viol: 25.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   LEU42  HB3    d: 3.34 +/- 0.27, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 22, id: 591, d: 3.07, u: 3.27, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   LEU42  HB3    d: 3.05 +/- 0.52, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 23, id: 592, d: 3.09, u: 2.99, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD21 -   VAL45 HG11    d: 3.07 +/- 0.06, weight: 1.0
     LEU125 HD21 -   VAL45 HG12
     LEU125 HD21 -   VAL45 HG13

ref_spec: d2o-noesy, ref_peak: 24, id: 593, d: 2.38, u: 2.49, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   LEU33 HD11    d: 2.39 +/- 0.12, weight: 1.0
      LEU33 HD21 -   LEU33 HD12
      LEU33 HD21 -   LEU33 HD13

ref_spec: d2o-noesy, ref_peak: 25, id: 594, d: 2.61, u: 2.70, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD21 -   LEU33 HD11    d: 2.87 +/- 0.66, weight: 1.0
     LEU125 HD21 -   LEU33 HD12
     LEU125 HD21 -   LEU33 HD13

ref_spec: d2o-noesy, ref_peak: 26, id: 595, d: 2.86, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   LEU42   HG    d: 2.86 +/- 0.27, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 27, id: 596, d: 2.93, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   LEU42   HG    d: 2.92 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 28, id: 597, d: 1.76, u: 2.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG3 -   LYS32  HG2    d: 1.76 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 29, id: 598, d: 1.90, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -   ALA41  HB1    d: 2.04 +/- 0.39, weight: 1.0
      LEU33 HD12 -   ALA41  HB1
      LEU33 HD13 -   ALA41  HB1

ref_spec: d2o-noesy, ref_peak: 30, id: 599, d: 3.41, u: 3.29, u_viol: 0.12, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -   ALA41  HB1    d: 3.28 +/- 0.31, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 31, id: 600, d: 2.39, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -   ALA41  HB1    d: 2.63 +/- 0.22, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 32, id: 601, d: 3.17, u: 3.09, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   ALA41  HB1    d: 3.42 +/- 0.86, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 33, id: 602, d: 2.12, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117 HD11 -  LEU117  HB3    d: 2.53 +/- 0.24, weight: 0.4
     LEU117 HD12 -  LEU117  HB3
     LEU117 HD13 -  LEU117  HB3

     LEU117 HD21 -  LEU117  HB3    d: 2.32 +/- 0.10, weight: 0.6
     LEU117 HD22 -  LEU117  HB3
     LEU117 HD23 -  LEU117  HB3

ref_spec: d2o-noesy, ref_peak: 34, id: 603, d: 3.84, u: 3.79, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30  HB2    d: 3.82 +/- 0.25, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 35, id: 604, d: 2.98, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG3 -   LYS32  HD3    d: 2.94 +/- 0.16, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 36, id: 605, d: 2.08, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33 HD11 -   LEU33   HG    d: 2.12 +/- 0.01, weight: 0.9
      LEU33 HD12 -   LEU33   HG
      LEU33 HD13 -   LEU33   HG

ref_spec: d2o-noesy, ref_peak: 37, id: 606, d: 2.11, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  LEU126  HB3    d: 2.13 +/- 0.15, weight: 1.0
     LEU126 HD22 -  LEU126  HB3
     LEU126 HD23 -  LEU126  HB3
     LEU126 HD11 -  LEU126  HB3
     LEU126 HD12 -  LEU126  HB3
     LEU126 HD13 -  LEU126  HB3

ref_spec: d2o-noesy, ref_peak: 38, id: 607, d: 2.98, u: 2.80, u_viol: 0.18, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   LEU33   HG    d: 2.97 +/- 0.02, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 39, id: 608, d: 1.90, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117 HD21 -  LEU117   HG    d: 2.13 +/- 0.01, weight: 0.5
     LEU117 HD22 -  LEU117   HG
     LEU117 HD23 -  LEU117   HG

     LEU117 HD11 -  LEU117   HG    d: 2.12 +/- 0.01, weight: 0.5
     LEU117 HD12 -  LEU117   HG
     LEU117 HD13 -  LEU117   HG

ref_spec: d2o-noesy, ref_peak: 40, id: 609, d: 2.25, u: 2.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117 HD11 -  LEU117  HB2    d: 2.25 +/- 0.09, weight: 0.9
     LEU117 HD12 -  LEU117  HB2
     LEU117 HD13 -  LEU117  HB2

ref_spec: d2o-noesy, ref_peak: 41, id: 610, d: 1.89, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  LEU126   HG    d: 1.89 +/- 0.00, weight: 1.0
     LEU126 HD22 -  LEU126   HG
     LEU126 HD23 -  LEU126   HG
     LEU126 HD11 -  LEU126   HG
     LEU126 HD12 -  LEU126   HG
     LEU126 HD13 -  LEU126   HG

ref_spec: d2o-noesy, ref_peak: 42, id: 611, d: 2.18, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  LEU126  HB2    d: 2.23 +/- 0.11, weight: 1.0
     LEU126 HD22 -  LEU126  HB2
     LEU126 HD23 -  LEU126  HB2
     LEU126 HD11 -  LEU126  HB2
     LEU126 HD12 -  LEU126  HB2
     LEU126 HD13 -  LEU126  HB2

ref_spec: d2o-noesy, ref_peak: 43, id: 612, d: 1.71, u: 2.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33  HB3 -   LEU33  HB2    d: 1.75 +/- 0.00, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 44, id: 613, d: 2.73, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -   ARG44  HG2    d: 2.80 +/- 0.15, weight: 1.0
      VAL45 HG12 -   ARG44  HG2
      VAL45 HG13 -   ARG44  HG2

ref_spec: d2o-noesy, ref_peak: 45, id: 614, d: 2.59, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD11 -  LEU128  HB3    d: 2.65 +/- 0.23, weight: 1.0
     LEU128 HD12 -  LEU128  HB3
     LEU128 HD13 -  LEU128  HB3

ref_spec: d2o-noesy, ref_peak: 46, id: 615, d: 2.95, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG3 -   LYS32  HB3    d: 2.89 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 47, id: 616, d: 2.17, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -  LEU125   HG    d: 2.18 +/- 0.38, weight: 0.8
      VAL45 HG12 -  LEU125   HG
      VAL45 HG13 -  LEU125   HG

ref_spec: d2o-noesy, ref_peak: 48, id: 617, d: 3.21, u: 3.72, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD11 -  PRO111  HB3    d: 3.29 +/- 0.58, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 49, id: 618, d: 2.08, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG21 -  LEU125   HG    d: 2.41 +/- 0.43, weight: 0.9
      VAL45 HG22 -  LEU125   HG
      VAL45 HG23 -  LEU125   HG

ref_spec: d2o-noesy, ref_peak: 50, id: 619, d: 2.97, u: 2.96, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -  LEU125   HG    d: 2.95 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 51, id: 620, d: 2.97, u: 2.76, u_viol: 0.21, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  LEU125   HG    d: 2.93 +/- 0.07, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 52, id: 621, d: 3.42, u: 3.28, u_viol: 0.15, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   GLU31  HB2    d: 3.97 +/- 1.29, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 54, id: 623, d: 2.13, u: 2.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   VAL39   HB    d: 2.12 +/- 0.01, weight: 1.0
      VAL39 HG22 -   VAL39   HB
      VAL39 HG23 -   VAL39   HB

ref_spec: d2o-noesy, ref_peak: 55, id: 624, d: 2.41, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  LEU125  HB2    d: 2.54 +/- 0.31, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 56, id: 625, d: 2.32, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -  LEU125  HB2    d: 2.53 +/- 0.30, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 57, id: 626, d: 2.65, u: 2.65, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU128 HD21 -  PRO111  HG3    d: 3.24 +/- 1.17, weight: 0.4

     LEU128 HD21 -  LEU128   HG    d: 2.98 +/- 0.01, weight: 0.6

ref_spec: d2o-noesy, ref_peak: 58, id: 627, d: 2.09, u: 2.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG21 -   VAL45   HB    d: 2.11 +/- 0.01, weight: 1.0
      VAL45 HG22 -   VAL45   HB
      VAL45 HG23 -   VAL45   HB

ref_spec: d2o-noesy, ref_peak: 59, id: 628, d: 2.26, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG3 -   LYS32  HB2    d: 2.27 +/- 0.03, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 60, id: 629, d: 2.11, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -   VAL45   HB    d: 2.10 +/- 0.01, weight: 1.0
      VAL45 HG12 -   VAL45   HB
      VAL45 HG13 -   VAL45   HB

ref_spec: d2o-noesy, ref_peak: 61, id: 630, d: 2.56, u: 2.88, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD11 -  LEU128   HG    d: 2.49 +/- 0.22, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 62, id: 631, d: 3.50, u: 3.30, u_viol: 0.19, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD21 -  LEU128  HB2    d: 3.46 +/- 0.10, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 63, id: 632, d: 3.01, u: 3.11, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD11 -  LEU128  HB2    d: 3.24 +/- 0.31, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 64, id: 633, d: 3.28, u: 3.97, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -  GLN122  HG2    d: 3.14 +/- 0.75, weight: 1.0
      VAL45 HG22 -  GLN122  HG2
      VAL45 HG23 -  GLN122  HG2

ref_spec: d2o-noesy, ref_peak: 65, id: 634, d: 2.57, u: 4.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -  GLN122  HG2    d: 3.10 +/- 0.68, weight: 1.0
      VAL45 HG12 -  GLN122  HG2
      VAL45 HG13 -  GLN122  HG2

ref_spec: d2o-noesy, ref_peak: 66, id: 635, d: 3.35, u: 4.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  GLN122  HG2    d: 3.82 +/- 0.89, weight: 0.7
     LEU126 HD22 -  GLN122  HG2
     LEU126 HD23 -  GLN122  HG2
     LEU126 HD11 -  GLN122  HG2
     LEU126 HD12 -  GLN122  HG2
     LEU126 HD13 -  GLN122  HG2

     LEU126 HD21 -  GLN123  HG3    d: 4.30 +/- 0.51, weight: 0.3
     LEU126 HD22 -  GLN123  HG3
     LEU126 HD23 -  GLN123  HG3
     LEU126 HD11 -  GLN123  HG3
     LEU126 HD12 -  GLN123  HG3
     LEU126 HD13 -  GLN123  HG3

ref_spec: d2o-noesy, ref_peak: 67, id: 636, d: 3.28, u: 3.77, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   GLU28  HB2    d: 3.60 +/- 0.17, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 68, id: 637, d: 2.56, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYS32  HG3 -   LYS32  HE2    d: 2.63 +/- 0.38, weight: 1.0
      LYS32  HG3 -   LYS32  HE3

ref_spec: d2o-noesy, ref_peak: 69, id: 638, d: 3.54, u: 3.50, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB3 -   PHE38  HB3    d: 3.77 +/- 0.29, weight: 0.7

      LEU33 HD11 -   PHE38  HB3    d: 4.48 +/- 0.20, weight: 0.3
      LEU33 HD12 -   PHE38  HB3
      LEU33 HD13 -   PHE38  HB3

ref_spec: d2o-noesy, ref_peak: 70, id: 639, d: 2.32, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB3 -   PHE38  HB2    d: 2.38 +/- 0.34, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 71, id: 640, d: 3.76, u: 4.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30  HD3    d: 3.92 +/- 0.54, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 72, id: 641, d: 2.79, u: 3.51, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30  HD2    d: 2.94 +/- 0.55, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 73, id: 642, d: 2.82, u: 3.24, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL39 HG11 -   VAL39   HA    d: 2.95 +/- 0.26, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 74, id: 643, d: 2.65, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL39 HG21 -   VAL39   HA    d: 2.55 +/- 0.28, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 75, id: 644, d: 3.12, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   HIS37  HB3    d: 3.04 +/- 0.44, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 76, id: 645, d: 3.90, u: 3.88, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   HIS37  HB2    d: 3.85 +/- 0.20, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 77, id: 646, d: 2.61, u: 3.61, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   LEU42   HA    d: 2.73 +/- 0.74, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 78, id: 647, d: 2.99, u: 3.75, u_viol: 0.43, %_viol: 20.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   LEU42   HA    d: 2.94 +/- 1.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 79, id: 648, d: 4.00, u: 3.89, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -   LEU42   HA    d: 4.02 +/- 0.07, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 80, id: 649, d: 2.81, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -   LEU42   HA    d: 3.14 +/- 0.71, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 81, id: 650, d: 3.41, u: 4.54, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33 HD11 -   LEU42   HA    d: 4.91 +/- 0.55, weight: 0.4
      LEU33 HD12 -   LEU42   HA
      LEU33 HD13 -   LEU42   HA

      VAL45 HG21 -   LEU42   HA    d: 4.49 +/- 0.73, weight: 0.6
      VAL45 HG22 -   LEU42   HA
      VAL45 HG23 -   LEU42   HA

ref_spec: d2o-noesy, ref_peak: 82, id: 651, d: 3.04, u: 3.14, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG21 -   VAL45   HA    d: 2.74 +/- 0.23, weight: 1.0
      VAL45 HG22 -   VAL45   HA
      VAL45 HG23 -   VAL45   HA

ref_spec: d2o-noesy, ref_peak: 83, id: 652, d: 2.77, u: 3.05, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -   VAL45   HA    d: 3.00 +/- 0.26, weight: 1.0
      VAL45 HG12 -   VAL45   HA
      VAL45 HG13 -   VAL45   HA

ref_spec: d2o-noesy, ref_peak: 84, id: 653, d: 2.00, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD21 -  GLN122   HA    d: 2.53 +/- 1.26, weight: 1.0
     LEU125 HD22 -  GLN122   HA
     LEU125 HD23 -  GLN122   HA

ref_spec: d2o-noesy, ref_peak: 85, id: 654, d: 2.49, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -  LEU125   HA    d: 2.50 +/- 0.41, weight: 0.9
     LEU125 HD12 -  LEU125   HA
     LEU125 HD13 -  LEU125   HA

ref_spec: d2o-noesy, ref_peak: 86, id: 655, d: 2.27, u: 2.86, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  GLN123   HA    d: 2.98 +/- 1.13, weight: 0.9
     LEU126 HD22 -  GLN123   HA
     LEU126 HD23 -  GLN123   HA
     LEU126 HD11 -  GLN123   HA
     LEU126 HD12 -  GLN123   HA
     LEU126 HD13 -  GLN123   HA

ref_spec: d2o-noesy, ref_peak: 87, id: 656, d: 4.42, u: 4.42, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG21 -  GLN122   HA    d: 4.49 +/- 0.77, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 88, id: 657, d: 3.12, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG11 -  GLN122   HA    d: 3.35 +/- 0.80, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 89, id: 658, d: 2.69, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD11 -  LEU125   HA    d: 3.09 +/- 0.96, weight: 1.0
     LEU128 HD12 -  LEU125   HA
     LEU128 HD13 -  LEU125   HA

ref_spec: d2o-noesy, ref_peak: 90, id: 659, d: 2.89, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   PHE38   HA    d: 3.02 +/- 0.21, weight: 1.0
      LEU33 HD22 -   PHE38   HA
      LEU33 HD23 -   PHE38   HA

ref_spec: d2o-noesy, ref_peak: 91, id: 660, d: 1.73, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -   PHE38   HA    d: 2.14 +/- 0.30, weight: 0.4
      LEU33 HD12 -   PHE38   HA
      LEU33 HD13 -   PHE38   HA

      LEU33  HB3 -   PHE38   HA    d: 2.06 +/- 0.66, weight: 0.6

ref_spec: d2o-noesy, ref_peak: 92, id: 661, d: 2.73, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109 HG21 -  THR109   HB    d: 2.74 +/- 0.27, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 93, id: 662, d: 2.82, u: 3.32, u_viol: 0.17, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109 HG21 -  THR109   HA    d: 3.01 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 94, id: 663, d: 2.02, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117 HD21 -  LEU117   HA    d: 2.30 +/- 0.80, weight: 0.9
     LEU117 HD22 -  LEU117   HA
     LEU117 HD23 -  LEU117   HA

ref_spec: d2o-noesy, ref_peak: 95, id: 664, d: 4.36, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   HIS37   HA    d: 3.92 +/- 1.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 96, id: 665, d: 2.61, u: 2.84, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD21 -  LEU126   HA    d: 2.22 +/- 0.22, weight: 1.0
     LEU126 HD22 -  LEU126   HA
     LEU126 HD23 -  LEU126   HA
     LEU126 HD11 -  LEU126   HA
     LEU126 HD12 -  LEU126   HA
     LEU126 HD13 -  LEU126   HA

ref_spec: d2o-noesy, ref_peak: 97, id: 666, d: 2.17, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG21 -  LEU126   HA    d: 2.61 +/- 0.52, weight: 1.0
      VAL45 HG22 -  LEU126   HA
      VAL45 HG23 -  LEU126   HA

ref_spec: d2o-noesy, ref_peak: 98, id: 667, d: 3.54, u: 3.41, u_viol: 0.13, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -  THR127   HB    d: 5.61 +/- 1.94, weight: 0.2
     LEU128 HD22 -  THR127   HB
     LEU128 HD23 -  THR127   HB

     LEU126 HD21 -  THR127   HB    d: 4.78 +/- 1.49, weight: 0.6
     LEU126 HD22 -  THR127   HB
     LEU126 HD23 -  THR127   HB
     LEU126 HD11 -  THR127   HB
     LEU126 HD12 -  THR127   HB
     LEU126 HD13 -  THR127   HB

ref_spec: d2o-noesy, ref_peak: 99, id: 668, d: 2.24, u: 3.01, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -  LEU128   HA    d: 2.55 +/- 0.51, weight: 1.0
     LEU128 HD22 -  LEU128   HA
     LEU128 HD23 -  LEU128   HA

ref_spec: d2o-noesy, ref_peak: 100, id: 669, d: 2.52, u: 2.59, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  THR121   HB    d: 2.61 +/- 0.16, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 101, id: 670, d: 2.65, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  THR121   HA    d: 2.57 +/- 0.24, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 102, id: 671, d: 3.19, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33   HG -   GLU31   HA    d: 4.41 +/- 0.67, weight: 0.1

      LEU33   HG -   LEU33   HA    d: 3.38 +/- 0.17, weight: 0.7

ref_spec: d2o-noesy, ref_peak: 103, id: 672, d: 2.48, u: 2.61, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
     THR127 HG21 -  THR127   HB    d: 2.51 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 104, id: 673, d: 2.61, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128  HB3 -  LEU128   HA    d: 2.58 +/- 0.19, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 105, id: 674, d: 2.27, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   GLU31   HA    d: 2.38 +/- 0.25, weight: 0.8

      LEU33  HB2 -   LEU33   HA    d: 2.91 +/- 0.25, weight: 0.2

ref_spec: d2o-noesy, ref_peak: 106, id: 675, d: 2.95, u: 2.92, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB2 -   GLU31   HA    d: 2.87 +/- 0.28, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 107, id: 676, d: 2.86, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126  HB3 -  LEU126   HA    d: 2.89 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 108, id: 677, d: 3.38, u: 3.40, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG40  HB3 -   HIS37   HA    d: 3.70 +/- 1.07, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 109, id: 678, d: 2.38, u: 2.81, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   HIS37   HA    d: 3.11 +/- 0.68, weight: 0.3

     LEU126  HB2 -  LEU126   HA    d: 2.72 +/- 0.20, weight: 0.7

ref_spec: d2o-noesy, ref_peak: 110, id: 679, d: 2.99, u: 2.89, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117  HB2 -  LEU117   HA    d: 2.89 +/- 0.27, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 111, id: 680, d: 2.51, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117  HB3 -  LEU117   HA    d: 2.52 +/- 0.05, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 112, id: 681, d: 2.94, u: 3.01, u_viol: 0.14, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127 HG21 -  THR127   HA    d: 2.76 +/- 0.42, weight: 1.0
     THR127 HG22 -  THR127   HA
     THR127 HG23 -  THR127   HA

ref_spec: d2o-noesy, ref_peak: 113, id: 682, d: 3.27, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33  HB2 -   PHE38   HA    d: 3.05 +/- 0.49, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 114, id: 683, d: 3.10, u: 3.10, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HD3 -   LYL50   HA    d: 3.24 +/- 0.33, weight: 0.8

ref_spec: d2o-noesy, ref_peak: 115, id: 684, d: 2.88, u: 2.88, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB3 -  LEU125   HA    d: 2.90 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 116, id: 685, d: 2.12, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA41  HB1 -   ALA41   HA    d: 2.13 +/- 0.00, weight: 1.0
      ALA41  HB2 -   ALA41   HA
      ALA41  HB3 -   ALA41   HA

ref_spec: d2o-noesy, ref_peak: 117, id: 686, d: 2.93, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -   ARG30   HA    d: 2.82 +/- 0.19, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 118, id: 687, d: 2.74, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HB3 -  GLY119  HA2    d: 4.19 +/- 1.26, weight: 0.3

     ARG113  HG3 -  ARG113   HA    d: 3.57 +/- 0.35, weight: 0.7

ref_spec: d2o-noesy, ref_peak: 119, id: 688, d: 3.42, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HG -   LEU42   HA    d: 3.39 +/- 0.46, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 120, id: 689, d: 2.64, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HG2 -   ARG40   HA    d: 2.61 +/- 0.21, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 121, id: 690, d: 2.92, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB3 -   ARG40   HA    d: 2.88 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 122, id: 691, d: 2.71, u: 2.89, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   ARG40   HA    d: 2.76 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 123, id: 692, d: 2.85, u: 2.65, u_viol: 0.20, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB3 -   ARG44   HA    d: 2.98 +/- 0.04, weight: 0.7

     LEU125   HG -  LEU125   HA    d: 3.33 +/- 0.60, weight: 0.3

ref_spec: d2o-noesy, ref_peak: 124, id: 693, d: 3.37, u: 3.85, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HB3 -   PRO27  HD3    d: 3.22 +/- 0.33, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 125, id: 694, d: 2.21, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG3 -   ARG30  HD2    d: 2.55 +/- 0.13, weight: 0.4

      LYL50  HD3 -   LYL50  HE2    d: 2.37 +/- 0.09, weight: 0.6

ref_spec: d2o-noesy, ref_peak: 126, id: 695, d: 2.96, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG3 -   ARG30  HD3    d: 2.98 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 127, id: 696, d: 2.33, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG2 -   ARG30  HD3    d: 2.36 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 128, id: 697, d: 2.89, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG2 -   ARG30  HD2    d: 2.97 +/- 0.06, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 129, id: 698, d: 2.95, u: 3.32, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HB3 -   ARG30  HD2    d: 3.27 +/- 0.65, weight: 0.7

      LYL50  HB2 -   LYL50  HE2    d: 3.87 +/- 0.81, weight: 0.2

ref_spec: d2o-noesy, ref_peak: 130, id: 699, d: 3.39, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HB3 -   ARG30  HD3    d: 3.32 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 131, id: 700, d: 2.52, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HG3 -  ARG113  HD2    d: 2.39 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 132, id: 701, d: 3.00, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HD2 -   LYL50  HE3    d: 2.89 +/- 0.19, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 133, id: 702, d: 2.74, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44  HD3    d: 2.69 +/- 0.30, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 134, id: 703, d: 2.63, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44  HD2    d: 2.61 +/- 0.28, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 135, id: 704, d: 2.34, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HG2 -   ARG40  HD2    d: 2.87 +/- 0.24, weight: 0.4

      ARG40  HG2 -   ARG40  HD3    d: 2.63 +/- 0.26, weight: 0.6

ref_spec: d2o-noesy, ref_peak: 136, id: 705, d: 2.82, u: 3.70, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HB2 -   ARG30  HD3    d: 2.76 +/- 0.57, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 137, id: 706, d: 2.74, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG2 -   ARG44  HD2    d: 2.69 +/- 0.30, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 138, id: 707, d: 2.46, u: 2.66, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB3 -   ARG40  HD2    d: 3.25 +/- 0.31, weight: 0.2

      ARG40  HB3 -   ARG40  HD3    d: 2.55 +/- 0.17, weight: 0.8

ref_spec: d2o-noesy, ref_peak: 139, id: 708, d: 2.47, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   ARG40  HD2    d: 2.88 +/- 0.57, weight: 0.5

      ARG40  HB2 -   ARG40  HD3    d: 2.87 +/- 0.27, weight: 0.5

ref_spec: d2o-noesy, ref_peak: 140, id: 709, d: 3.09, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB2 -  CYS115  HB2    d: 3.59 +/- 0.77, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 141, id: 710, d: 2.89, u: 3.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB3 -   ARG44  HD2    d: 3.08 +/- 0.49, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 142, id: 711, d: 2.92, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB3 -   ARG44  HD3    d: 3.01 +/- 0.58, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 143, id: 712, d: 2.27, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HD3 -   LYS32  HE2    d: 2.29 +/- 0.08, weight: 1.0
      LYS32  HD3 -   LYS32  HE3

ref_spec: d2o-noesy, ref_peak: 144, id: 713, d: 2.67, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYS32  HG2 -   LYS32  HE2    d: 2.46 +/- 0.13, weight: 1.0
      LYS32  HG2 -   LYS32  HE3

ref_spec: d2o-noesy, ref_peak: 145, id: 714, d: 2.41, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB3 -  LEU125   HG    d: 2.42 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 146, id: 715, d: 2.96, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG2 -   LYS32  HB2    d: 2.90 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 147, id: 716, d: 1.75, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128  HB3 -  LEU128  HB2    d: 1.75 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 148, id: 717, d: 1.76, u: 2.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO49  HB3 -   PRO49  HB2    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 149, id: 718, d: 2.40, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44  HB2    d: 2.46 +/- 0.07, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 150, id: 719, d: 3.48, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HD3 -   LYS32  HB2    d: 3.46 +/- 0.21, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 151, id: 720, d: 2.60, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33   HG -   GLU31  HB2    d: 2.64 +/- 0.86, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 152, id: 721, d: 3.00, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44  HB3    d: 2.99 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 153, id: 722, d: 2.60, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128   HG -  LEU128  HB2    d: 2.66 +/- 0.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 154, id: 723, d: 1.76, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     PRO111  HB3 -  PRO111  HB2    d: 1.76 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 155, id: 724, d: 2.39, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HB2 -  GLN122  HG3    d: 2.43 +/- 0.05, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 156, id: 725, d: 2.99, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HB2 -  GLN122  HG2    d: 3.00 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 157, id: 726, d: 2.94, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39   HA    d: 2.96 +/- 0.08, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 158, id: 727, d: 2.19, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO49  HG2 -   PRO49  HD3    d: 2.20 +/- 0.02, weight: 1.0
      PRO49  HG3 -   PRO49  HD3

ref_spec: d2o-noesy, ref_peak: 159, id: 728, d: 2.23, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO49  HG2 -   PRO49  HD2    d: 2.20 +/- 0.03, weight: 1.0
      PRO49  HG3 -   PRO49  HD2

ref_spec: d2o-noesy, ref_peak: 160, id: 729, d: 2.27, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45   HB -   VAL45   HA    d: 2.26 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 161, id: 730, d: 3.16, u: 3.37, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB2 -   ALA41   HA    d: 3.27 +/- 0.18, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 162, id: 731, d: 2.38, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB2 -   ARG44   HA    d: 2.41 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 163, id: 732, d: 3.01, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123  HB2 -  GLN123   HA    d: 2.95 +/- 0.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 164, id: 733, d: 2.50, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN122  HB2 -  GLN122   HA    d: 2.44 +/- 0.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 165, id: 734, d: 2.64, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN122  HG3 -  GLN122   HA    d: 2.78 +/- 0.50, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 166, id: 735, d: 2.70, u: 3.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123  HG3 -  GLN123   HA    d: 3.34 +/- 0.33, weight: 0.4

     GLN122  HG2 -  GLN122   HA    d: 3.21 +/- 0.37, weight: 0.5

ref_spec: d2o-noesy, ref_peak: 167, id: 736, d: 2.73, u: 3.10, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123  HG2 -  GLN123   HA    d: 2.55 +/- 0.27, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 168, id: 737, d: 2.29, u: 3.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HB3 -  PRO111   HA    d: 2.28 +/- 0.02, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 169, id: 738, d: 2.95, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HB2 -  PRO111   HA    d: 2.93 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 170, id: 739, d: 2.27, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO49  HB3 -   PRO49   HA    d: 2.31 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 171, id: 740, d: 2.98, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128  HB2 -  LEU128   HA    d: 2.97 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 172, id: 741, d: 2.79, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HG2 -   GLU31   HA    d: 2.97 +/- 0.17, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 173, id: 742, d: 3.55, u: 4.42, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HB2 -  THR121   HB    d: 3.50 +/- 0.72, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 174, id: 743, d: 2.96, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB2 -  ASN110   HA    d: 2.99 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 175, id: 744, d: 2.81, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34  HB3 -   CYS34   HA    d: 2.72 +/- 0.22, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 176, id: 745, d: 3.85, u: 4.09, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYS32  HE2 -  SER118   HA    d: 3.59 +/- 1.51, weight: 1.0
      LYS32  HE3 -  SER118   HA

ref_spec: d2o-noesy, ref_peak: 177, id: 746, d: 2.54, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB3 -  ASP124   HA    d: 2.57 +/- 0.10, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 178, id: 747, d: 2.54, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR131  HB3 -  TYR131   HA    d: 2.55 +/- 0.23, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 179, id: 748, d: 3.01, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38  HB3 -   PHE38   HA    d: 3.02 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 180, id: 749, d: 2.62, u: 2.92, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS36  HB3 -   HIS36   HA    d: 2.68 +/- 0.31, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 181, id: 750, d: 2.33, u: 3.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HB2 -  TYR114   HA    d: 2.34 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 182, id: 751, d: 1.76, u: 2.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASP124  HB3 -  ASP124  HB2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 183, id: 752, d: 1.76, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS34  HB3 -   CYS34  HB2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 184, id: 753, d: 1.76, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51  HB3 -   TRP51  HB2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 185, id: 754, d: 1.76, u: 2.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS37  HB3 -   HIS37  HB2    d: 1.76 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 186, id: 755, d: 1.76, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118  HB3 -  SER118  HB2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 187, id: 756, d: 1.77, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO130  HD3 -  PRO130  HD2    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 188, id: 757, d: 3.77, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   ARG40   HA    d: 4.76 +/- 0.04, weight: 0.3

      ARG40  HD2 -   ARG40   HA    d: 4.51 +/- 0.14, weight: 0.3

      ARG40  HD3 -   ARG40   HA    d: 4.48 +/- 0.06, weight: 0.4

ref_spec: d2o-noesy, ref_peak: 189, id: 758, d: 4.73, u: 4.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HD3 -   ARG44   HA    d: 4.64 +/- 0.31, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 190, id: 759, d: 3.47, u: 3.54, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HE2 -   GLY48  HA3    d: 3.60 +/- 0.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 191, id: 760, d: 2.43, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB3 -   HIS37   HA    d: 2.44 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 192, id: 761, d: 3.01, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     CYS129  HB2 -  LEU126   HA    d: 4.64 +/- 1.56, weight: 0.2

      ARG40  HD2 -   HIS37   HA    d: 4.36 +/- 0.48, weight: 0.3

      ARG40  HD3 -   HIS37   HA    d: 4.22 +/- 0.82, weight: 0.4

ref_spec: d2o-noesy, ref_peak: 193, id: 762, d: 2.45, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36  HB2 -   HIS36   HA    d: 2.49 +/- 0.07, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 194, id: 763, d: 2.28, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP51  HB3 -   TRP51   HA    d: 2.27 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 195, id: 764, d: 2.55, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB3 -   LEU33   HA    d: 3.28 +/- 2.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 196, id: 765, d: 3.00, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB2 -  ASP124   HA    d: 2.89 +/- 0.34, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 197, id: 766, d: 3.02, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   HIS37   HA    d: 3.01 +/- 0.03, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 198, id: 767, d: 2.12, u: 3.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   LEU33   HA    d: 3.09 +/- 2.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 199, id: 768, d: 2.70, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP51  HB2 -   TRP51   HA    d: 2.71 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 200, id: 769, d: 2.56, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118  HB2 -  SER118   HA    d: 2.48 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 201, id: 770, d: 3.01, u: 3.92, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB2 -  CYS120   HA    d: 3.41 +/- 0.72, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 202, id: 771, d: 2.79, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34  HB2 -   CYS34   HA    d: 2.88 +/- 0.17, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 203, id: 772, d: 3.87, u: 3.93, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO130  HD3 -  CYS129   HA    d: 3.65 +/- 0.58, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 204, id: 773, d: 1.87, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB2 -   CYS34   HA    d: 2.43 +/- 0.91, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 205, id: 774, d: 1.96, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HD3 -  ASN110   HA    d: 1.94 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 206, id: 775, d: 2.92, u: 3.25, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HD2 -  ASN110   HA    d: 3.09 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 207, id: 776, d: 2.50, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HA -  THR121   HA    d: 2.81 +/- 0.56, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 208, id: 777, d: 2.65, u: 3.01, u_viol: 1.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      PRO27  HD2 -   THR26   HA    d: 2.50 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 209, id: 778, d: 2.31, u: 3.34, u_viol: 0.23, %_viol: 5.0, viol: no, reliable: no, a_type: A
      PRO27  HD3 -   THR26   HA    d: 2.34 +/- 0.52, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 210, id: 779, d: 1.76, u: 2.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY47  HA3 -   GLY47  HA2    d: 1.75 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 211, id: 780, d: 3.71, u: 4.01, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HD3 -   THR26   HB    d: 3.83 +/- 0.25, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 212, id: 781, d: 1.75, u: 2.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA3 -   GLY48  HA2    d: 1.75 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 213, id: 782, d: 2.58, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109   HB -  THR109   HA    d: 2.43 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 214, id: 783, d: 2.43, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR127   HA -  THR127   HB    d: 2.46 +/- 0.16, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 215, id: 784, d: 3.82, u: 3.82, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38   HA -   LEU33   HA    d: 3.90 +/- 0.10, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 216, id: 785, d: 2.34, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR121   HB -  THR121   HA    d: 2.41 +/- 0.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 217, id: 786, d: 3.85, u: 3.95, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO130  HD2 -  CYS129   HA    d: 3.93 +/- 0.21, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 218, id: 787, d: 3.34, u: 4.60, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG3 -  CYS120   HA    d: 3.30 +/- 0.89, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 219, id: 788, d: 3.76, u: 4.52, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG2 -  CYS120   HA    d: 3.93 +/- 0.75, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 220, id: 789, d: 4.88, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -  CYS120   HA    d: 5.45 +/- 0.55, weight: 0.9
      LEU33 HD12 -  CYS120   HA
      LEU33 HD13 -  CYS120   HA

ref_spec: d2o-noesy, ref_peak: 221, id: 790, d: 2.81, u: 5.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129  HB3 -  CYS129   HA    d: 2.72 +/- 0.32, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 222, id: 791, d: 3.69, u: 6.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB3 -  CYS120   HA    d: 4.20 +/- 0.77, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 223, id: 792, d: 4.32, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122   HA -  THR121   HA    d: 4.36 +/- 0.10, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 224, id: 793, d: 4.87, u: 4.95, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122   HA -  THR121   HB    d: 4.92 +/- 0.41, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 225, id: 794, d: 3.98, u: 4.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HA -  THR121   HB    d: 4.16 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 226, id: 795, d: 3.81, u: 3.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN122  HB3 -  THR121   HB    d: 4.28 +/- 0.20, weight: 0.6

     GLN123  HB2 -  THR121   HB    d: 4.84 +/- 1.00, weight: 0.3

ref_spec: d2o-noesy, ref_peak: 227, id: 796, d: 3.47, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HB3 -  THR121   HB    d: 3.05 +/- 0.90, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 228, id: 797, d: 4.60, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU28  HB2 -  THR121   HA    d: 5.18 +/- 0.41, weight: 0.5

     LEU125  HB2 -  THR121   HA    d: 5.49 +/- 0.91, weight: 0.4

ref_spec: d2o-noesy, ref_peak: 229, id: 798, d: 3.47, u: 6.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HG3 -  THR121   HA    d: 4.44 +/- 2.21, weight: 0.6

     GLN122  HB3 -  THR121   HA    d: 4.96 +/- 0.37, weight: 0.3

ref_spec: d2o-noesy, ref_peak: 230, id: 799, d: 4.24, u: 5.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HG2 -  THR121   HA    d: 5.68 +/- 1.85, weight: 0.3

     GLN122  HB2 -  THR121   HA    d: 4.88 +/- 0.59, weight: 0.7

ref_spec: d2o-noesy, ref_peak: 231, id: 800, d: 3.73, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU28   HA -  THR121   HB    d: 4.55 +/- 0.86, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 232, id: 801, d: 4.53, u: 8.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -  CYS120   HA    d: 4.17 +/- 1.49, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 233, id: 802, d: 4.39, u: 6.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG3 -  THR121   HA    d: 4.79 +/- 1.02, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 234, id: 803, d: 5.13, u: 8.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -  THR121   HA    d: 5.16 +/- 0.98, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 235, id: 804, d: 3.36, u: 4.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116   HA -   LYS32   HA    d: 5.17 +/- 2.66, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 236, id: 805, d: 4.09, u: 4.04, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117   HA -  SER118   HA    d: 4.49 +/- 0.11, weight: 0.6

     THR127   HA -  LEU128   HA    d: 4.69 +/- 0.18, weight: 0.4

ref_spec: d2o-noesy, ref_peak: 237, id: 806, d: 4.16, u: 4.15, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123   HA -  ASP124   HA    d: 4.69 +/- 0.13, weight: 0.5

     LEU125   HA -  ASP124   HA    d: 4.67 +/- 0.10, weight: 0.5

ref_spec: d2o-noesy, ref_peak: 238, id: 807, d: 3.90, u: 4.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO49  HD2 -   PRO49   HA    d: 3.94 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 239, id: 808, d: 3.83, u: 5.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
    GLYC132  HA3 -  TYR131   HA    d: 4.81 +/- 0.31, weight: 0.3

      PRO27  HD2 -   PRO27   HA    d: 4.06 +/- 0.05, weight: 0.7

ref_spec: d2o-noesy, ref_peak: 240, id: 809, d: 3.75, u: 6.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HD3 -   PRO27   HA    d: 3.71 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 241, id: 810, d: 3.00, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HB3 -  TYR114   HA    d: 2.97 +/- 0.11, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 242, id: 811, d: 4.27, u: 4.59, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HE3 -   GLY48  HA2    d: 4.13 +/- 0.78, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 243, id: 812, d: 4.60, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYS32  HE2 -  LEU117   HA    d: 5.50 +/- 1.66, weight: 0.8
      LYS32  HE3 -  LEU117   HA

ref_spec: d2o-noesy, ref_peak: 244, id: 813, d: 3.95, u: 4.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HG2 -  PRO111   HA    d: 4.02 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 245, id: 814, d: 4.06, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO49  HG2 -   PRO49   HA    d: 3.93 +/- 0.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 246, id: 815, d: 2.60, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB3 -  ARG113   HA    d: 2.59 +/- 0.26, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 247, id: 816, d: 4.47, u: 4.89, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -  GLY119  HA2    d: 4.65 +/- 0.58, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 248, id: 817, d: 3.77, u: 4.97, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB3 -  GLY119  HA2    d: 4.19 +/- 1.26, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 249, id: 818, d: 3.08, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HG2 -  ARG113   HA    d: 3.00 +/- 0.43, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 250, id: 819, d: 3.71, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR26 HG21 -   PRO27  HD2    d: 3.64 +/- 0.38, weight: 0.9
      THR26 HG22 -   PRO27  HD2
      THR26 HG23 -   PRO27  HD2

ref_spec: d2o-noesy, ref_peak: 251, id: 820, d: 4.09, u: 5.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41  HB1 -   LEU42   HA    d: 4.07 +/- 0.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 252, id: 821, d: 3.89, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO49  HB3 -   PRO49  HD2    d: 3.92 +/- 0.09, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 253, id: 822, d: 3.45, u: 4.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO27  HB3 -   PRO27  HD2    d: 3.90 +/- 0.04, weight: 0.5

     PRO111  HB3 -  PRO111  HD2    d: 3.86 +/- 0.02, weight: 0.5

ref_spec: d2o-noesy, ref_peak: 254, id: 823, d: 3.74, u: 4.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HB2 -   PRO27  HD2    d: 3.87 +/- 0.33, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 255, id: 824, d: 3.97, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HE2 -   GLY48  HA2    d: 3.56 +/- 0.81, weight: 0.8

ref_spec: d2o-noesy, ref_peak: 256, id: 825, d: 3.33, u: 5.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HD3 -  ARG113   HA    d: 2.94 +/- 0.75, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 257, id: 826, d: 3.75, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD11 -  LEU128   HA    d: 3.70 +/- 0.22, weight: 1.0
     LEU128 HD12 -  LEU128   HA
     LEU128 HD13 -  LEU128   HA

ref_spec: d2o-noesy, ref_peak: 259, id: 828, d: 3.98, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -  LEU126   HA    d: 4.19 +/- 0.53, weight: 1.0
      VAL45 HG12 -  LEU126   HA
      VAL45 HG13 -  LEU126   HA

ref_spec: d2o-noesy, ref_peak: 260, id: 829, d: 4.45, u: 5.05, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ALA108  HB1 -  THR109   HB    d: 5.38 +/- 0.40, weight: 0.5
     ALA108  HB2 -  THR109   HB
     ALA108  HB3 -  THR109   HB

     ALA108  HB1 -  PRO111   HA    d: 5.55 +/- 1.81, weight: 0.5
     ALA108  HB2 -  PRO111   HA
     ALA108  HB3 -  PRO111   HA

ref_spec: d2o-noesy, ref_peak: 261, id: 830, d: 3.29, u: 4.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD11 -  PRO111   HA    d: 3.08 +/- 0.65, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 262, id: 831, d: 2.99, u: 3.87, u_viol: 0.19, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HG3 -   LYL50   HA    d: 2.92 +/- 0.85, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 263, id: 832, d: 4.18, u: 4.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -   ALA41   HA    d: 4.36 +/- 0.04, weight: 0.8
      LEU33 HD12 -   ALA41   HA
      LEU33 HD13 -   ALA41   HA

ref_spec: d2o-noesy, ref_peak: 264, id: 833, d: 3.93, u: 4.15, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -   ALA41   HA    d: 4.02 +/- 0.17, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 265, id: 834, d: 4.22, u: 6.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -  LEU125   HA    d: 4.69 +/- 0.95, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 266, id: 835, d: 5.26, u: 5.53, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -  LEU125   HA    d: 5.26 +/- 0.49, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 268, id: 837, d: 5.09, u: 5.95, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42 HD11 -  CYS129  HB2    d: 5.60 +/- 0.67, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 269, id: 838, d: 4.21, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42 HD21 -   VAL39   HA    d: 4.78 +/- 0.65, weight: 0.8

ref_spec: d2o-noesy, ref_peak: 270, id: 839, d: 4.47, u: 5.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD11 -  PRO111  HB2    d: 4.56 +/- 0.56, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 271, id: 840, d: 4.52, u: 5.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -  LEU128  HB2    d: 4.16 +/- 1.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 272, id: 841, d: 4.08, u: 4.13, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -  LEU128  HB2    d: 4.06 +/- 0.97, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 273, id: 842, d: 3.88, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117 HD21 -  CYS116  HB3    d: 4.31 +/- 0.65, weight: 0.6
     LEU117 HD22 -  CYS116  HB3
     LEU117 HD23 -  CYS116  HB3

     LEU117 HD11 -  CYS116  HB3    d: 4.78 +/- 0.43, weight: 0.3
     LEU117 HD12 -  CYS116  HB3
     LEU117 HD13 -  CYS116  HB3

ref_spec: d2o-noesy, ref_peak: 274, id: 843, d: 4.05, u: 4.61, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   GLU28  HB3    d: 3.67 +/- 0.54, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 275, id: 844, d: 4.20, u: 4.14, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG11 -   ARG44  HG3    d: 4.21 +/- 0.10, weight: 1.0
      VAL45 HG12 -   ARG44  HG3
      VAL45 HG13 -   ARG44  HG3

ref_spec: d2o-noesy, ref_peak: 276, id: 845, d: 2.50, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HD3 -   LYL50  HE3    d: 2.64 +/- 0.25, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 277, id: 846, d: 2.79, u: 4.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HG2 -   LYL50  HE3    d: 2.64 +/- 0.39, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 278, id: 847, d: 2.52, u: 2.50, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HB2 -   ARG30  HD2    d: 2.58 +/- 0.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 279, id: 848, d: 4.55, u: 5.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HG2 -  ASN110   HA    d: 4.56 +/- 0.08, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 280, id: 849, d: 3.01, u: 3.05, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG2 -   ARG44   HA    d: 3.21 +/- 0.21, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 281, id: 850, d: 2.92, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB2 -   ARG44  HD2    d: 2.96 +/- 0.51, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 282, id: 851, d: 3.31, u: 3.48, u_viol: 0.18, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HG3 -   GLU31   HA    d: 3.34 +/- 0.22, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 283, id: 852, d: 4.14, u: 4.13, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA41  HB1 -   HIS37   HA    d: 4.53 +/- 0.25, weight: 0.6
      ALA41  HB2 -   HIS37   HA
      ALA41  HB3 -   HIS37   HA

     THR127 HG21 -  LEU126   HA    d: 4.77 +/- 0.39, weight: 0.4
     THR127 HG22 -  LEU126   HA
     THR127 HG23 -  LEU126   HA

ref_spec: d2o-noesy, ref_peak: 284, id: 853, d: 3.54, u: 3.59, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR114  HB3 -  PRO111   HA    d: 3.63 +/- 0.12, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 285, id: 854, d: 3.85, u: 6.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38  HB2 -   CYS34   HA    d: 4.46 +/- 1.16, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 286, id: 855, d: 1.76, u: 2.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129  HB3 -  CYS129  HB2    d: 1.75 +/- 0.01, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 287, id: 856, d: 1.78, u: 2.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO49  HD3 -   PRO49  HD2    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 288, id: 857, d: 1.76, u: 2.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
    GLYC132  HA3 - GLYC132  HA2    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 289, id: 858, d: 3.14, u: 4.11, u_viol: 0.36, %_viol: 10.0, viol: no, reliable: no, a_type: A
      PRO27  HD2 -   THR26   HB    d: 2.99 +/- 0.79, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 290, id: 859, d: 5.46, u: 7.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  GLN122  HB2    d: 5.43 +/- 0.57, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 291, id: 860, d: 4.65, u: 7.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  GLN122  HG3    d: 5.24 +/- 1.23, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 292, id: 861, d: 5.52, u: 7.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  GLN122  HG2    d: 5.90 +/- 0.65, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 293, id: 862, d: 4.35, u: 4.27, u_viol: 0.13, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HD2 -   LYS32   HA    d: 4.37 +/- 0.05, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 294, id: 863, d: 2.54, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG3 -   LYS32  HD2    d: 2.46 +/- 0.10, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 295, id: 864, d: 4.32, u: 4.42, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  CYS120   HA    d: 4.33 +/- 0.16, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 296, id: 865, d: 4.78, u: 4.90, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   ALA41   HA    d: 5.12 +/- 0.70, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 297, id: 866, d: 4.00, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -   ALA41   HA    d: 4.02 +/- 0.32, weight: 1.0
      VAL45 HG12 -   ALA41   HA
      VAL45 HG13 -   ALA41   HA

ref_spec: d2o-noesy, ref_peak: 298, id: 867, d: 3.64, u: 6.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45 HG21 -  GLN122  HG3    d: 3.32 +/- 0.66, weight: 1.0
      VAL45 HG22 -  GLN122  HG3
      VAL45 HG23 -  GLN122  HG3

ref_spec: d2o-noesy, ref_peak: 299, id: 868, d: 2.02, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -  GLN122  HG3    d: 2.60 +/- 0.74, weight: 1.0
      VAL45 HG12 -  GLN122  HG3
      VAL45 HG13 -  GLN122  HG3

ref_spec: d2o-noesy, ref_peak: 300, id: 869, d: 4.96, u: 6.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD21 -  GLN122  HG3    d: 4.60 +/- 0.61, weight: 1.0
     LEU126 HD22 -  GLN122  HG3
     LEU126 HD23 -  GLN122  HG3
     LEU126 HD11 -  GLN122  HG3
     LEU126 HD12 -  GLN122  HG3
     LEU126 HD13 -  GLN122  HG3

ref_spec: d2o-noesy, ref_peak: 301, id: 870, d: 4.93, u: 6.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -  GLN122  HB2    d: 4.67 +/- 1.11, weight: 0.8
      VAL45 HG22 -  GLN122  HB2
      VAL45 HG23 -  GLN122  HB2

ref_spec: d2o-noesy, ref_peak: 302, id: 871, d: 2.51, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASN110  HB3 -  ASN110   HA    d: 2.57 +/- 0.14, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 303, id: 872, d: 2.84, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO49  HB2 -   PRO49   HA    d: 2.79 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 304, id: 873, d: 3.06, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA3 -   PRO49  HD2    d: 3.21 +/- 0.48, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 305, id: 874, d: 2.75, u: 3.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA3 -   PRO49  HD3    d: 3.32 +/- 0.49, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 306, id: 875, d: 2.02, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA2 -   PRO49  HD3    d: 2.23 +/- 0.41, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 307, id: 876, d: 3.98, u: 8.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HB2 -   PRO27  HD3    d: 3.96 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 308, id: 877, d: 2.57, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE38  HB2 -   PHE38   HA    d: 2.54 +/- 0.06, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 309, id: 878, d: 2.77, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HD2 -   LYS32  HB2    d: 3.03 +/- 0.48, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 310, id: 879, d: 2.76, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118  HB3 -  SER118   HA    d: 2.76 +/- 0.33, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 311, id: 880, d: 2.43, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HB3 -   LYL50   HA    d: 2.48 +/- 0.14, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 312, id: 881, d: 2.68, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44   HA    d: 2.64 +/- 0.21, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 313, id: 882, d: 2.11, u: 2.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL43 HG21 -   VAL43   HB    d: 2.11 +/- 0.01, weight: 1.0
      VAL43 HG22 -   VAL43   HB
      VAL43 HG23 -   VAL43   HB

ref_spec: d2o-noesy, ref_peak: 314, id: 883, d: 3.69, u: 3.68, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   HIS36   HA    d: 4.21 +/- 1.55, weight: 1.0
      VAL39 HG12 -   HIS36   HA
      VAL39 HG13 -   HIS36   HA

ref_spec: d2o-noesy, ref_peak: 315, id: 884, d: 3.16, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL39 HG21 -   HIS36   HA    d: 4.21 +/- 2.20, weight: 1.0
      VAL39 HG22 -   HIS36   HA
      VAL39 HG23 -   HIS36   HA

ref_spec: d2o-noesy, ref_peak: 316, id: 885, d: 4.21, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   MET29   HA    d: 4.39 +/- 0.44, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 317, id: 886, d: 4.59, u: 5.00, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   GLU28   HA    d: 4.74 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 318, id: 887, d: 2.94, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB2 -  ARG113   HA    d: 2.89 +/- 0.21, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 319, id: 888, d: 5.04, u: 5.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR114  HB2 -  PRO111   HA    d: 5.02 +/- 0.26, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 320, id: 889, d: 4.13, u: 4.10, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG3 -  GLY119  HA2    d: 4.14 +/- 0.04, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 321, id: 890, d: 4.30, u: 5.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG3 -  GLY119  HA3    d: 4.49 +/- 0.37, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 322, id: 891, d: 2.37, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30   HA    d: 2.34 +/- 0.48, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 323, id: 892, d: 3.27, u: 4.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA2 -   PRO49  HD2    d: 2.76 +/- 0.48, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 324, id: 893, d: 3.97, u: 4.01, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG3 -  GLY119  HA3    d: 4.53 +/- 0.79, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 325, id: 894, d: 2.31, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HD2 -   LYS32  HE2    d: 2.35 +/- 0.02, weight: 1.0
      LYS32  HD2 -   LYS32  HE3

ref_spec: d2o-noesy, ref_peak: 326, id: 895, d: 2.75, u: 3.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB3 -   ALA41   HA    d: 2.74 +/- 0.34, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 327, id: 896, d: 4.59, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HD2 -   ARG44   HA    d: 4.59 +/- 0.21, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 328, id: 897, d: 2.60, u: 5.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129  HB2 -  CYS129   HA    d: 2.71 +/- 0.29, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 329, id: 898, d: 4.14, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33 HD21 -   GLU31  HG2    d: 4.22 +/- 0.25, weight: 1.0
      LEU33 HD22 -   GLU31  HG2
      LEU33 HD23 -   GLU31  HG2

ref_spec: d2o-noesy, ref_peak: 330, id: 899, d: 5.72, u: 5.77, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117  HB2 -  CYS116   HA    d: 5.53 +/- 0.42, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 331, id: 900, d: 3.35, u: 4.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117   HG -  CYS116  HB3    d: 3.65 +/- 0.46, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 332, id: 901, d: 3.14, u: 3.62, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42  HB2 -   LEU42 HD21    d: 3.19 +/- 0.68, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 333, id: 902, d: 3.39, u: 3.52, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42  HB2 -   LEU42 HD11    d: 3.38 +/- 0.41, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 334, id: 903, d: 2.93, u: 3.24, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125  HB3 -  LEU125 HD21    d: 3.09 +/- 0.17, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 335, id: 904, d: 3.54, u: 3.58, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125  HB3 -  LEU125 HD11    d: 3.63 +/- 0.13, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 336, id: 905, d: 4.03, u: 4.05, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125  HB3 -   VAL45 HG21    d: 3.73 +/- 0.62, weight: 1.0
     LEU125  HB3 -   VAL45 HG22
     LEU125  HB3 -   VAL45 HG23

ref_spec: d2o-noesy, ref_peak: 337, id: 906, d: 3.63, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB2 -  CYS120  HB2    d: 3.36 +/- 1.29, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 338, id: 907, d: 3.80, u: 3.73, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125  HB2 -  GLN122   HA    d: 3.76 +/- 0.83, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 339, id: 908, d: 3.01, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN122  HB3 -  GLN122   HA    d: 2.92 +/- 0.18, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 340, id: 909, d: 2.49, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123  HB3 -  GLN123   HA    d: 2.62 +/- 0.20, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 341, id: 910, d: 4.49, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -   ALA41  HB1    d: 4.51 +/- 0.14, weight: 1.0
      VAL45 HG12 -   ALA41  HB1
      VAL45 HG13 -   ALA41  HB1

ref_spec: d2o-noesy, ref_peak: 342, id: 911, d: 2.43, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36   HA -   VAL39   HB    d: 3.41 +/- 2.35, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 344, id: 913, d: 2.87, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42  HB2 -   LEU42   HA    d: 2.86 +/- 0.20, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 345, id: 914, d: 3.59, u: 3.47, u_viol: 0.12, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -   LEU42   HA    d: 3.35 +/- 0.61, weight: 1.0
      VAL45 HG12 -   LEU42   HA
      VAL45 HG13 -   LEU42   HA

ref_spec: d2o-noesy, ref_peak: 346, id: 915, d: 3.36, u: 3.26, u_viol: 0.17, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42  HB3 -   VAL39   HA    d: 3.30 +/- 0.23, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 347, id: 916, d: 2.42, u: 3.63, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG11 -   ARG40   HA    d: 2.81 +/- 0.84, weight: 1.0
      VAL43 HG12 -   ARG40   HA
      VAL43 HG13 -   ARG40   HA

ref_spec: d2o-noesy, ref_peak: 348, id: 917, d: 2.17, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL43 HG21 -   VAL43   HA    d: 2.28 +/- 0.26, weight: 1.0
      VAL43 HG22 -   VAL43   HA
      VAL43 HG23 -   VAL43   HA

ref_spec: d2o-noesy, ref_peak: 349, id: 918, d: 4.25, u: 4.30, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG21 -   ARG40   HA    d: 3.81 +/- 0.99, weight: 1.0
      VAL43 HG22 -   ARG40   HA
      VAL43 HG23 -   ARG40   HA

ref_spec: d2o-noesy, ref_peak: 350, id: 919, d: 2.98, u: 2.98, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG11 -   VAL43   HA    d: 2.93 +/- 0.39, weight: 0.9
      VAL43 HG12 -   VAL43   HA
      VAL43 HG13 -   VAL43   HA

ref_spec: d2o-noesy, ref_peak: 351, id: 920, d: 3.25, u: 3.48, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG2 -  GLY119  HA3    d: 3.39 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 352, id: 921, d: 2.71, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   LEU42   HA    d: 2.74 +/- 0.18, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 353, id: 922, d: 3.30, u: 3.31, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -  LEU128 HD11    d: 3.60 +/- 0.92, weight: 0.6
     LEU125 HD11 -  LEU128 HD12
     LEU125 HD11 -  LEU128 HD13
     LEU125 HD12 -  LEU128 HD11
     LEU125 HD12 -  LEU128 HD12
     LEU125 HD12 -  LEU128 HD13
     LEU125 HD13 -  LEU128 HD11
     LEU125 HD13 -  LEU128 HD12
     LEU125 HD13 -  LEU128 HD13

     LEU125 HD11 -   LEU42  HB3    d: 4.07 +/- 0.46, weight: 0.3
     LEU125 HD12 -   LEU42  HB3
     LEU125 HD13 -   LEU42  HB3

ref_spec: d2o-noesy, ref_peak: 354, id: 923, d: 2.61, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42  HB2 -   VAL39   HA    d: 2.45 +/- 0.54, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 355, id: 924, d: 2.79, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP51  HB2 -   TRP51  HD1    d: 3.12 +/- 0.34, weight: 0.9

ref_spec: d2o-noesy, ref_peak: 356, id: 925, d: 3.85, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP51  HB3 -   TRP51  HD1    d: 3.72 +/- 0.43, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 357, id: 926, d: 4.38, u: 6.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33   HG -   PHE38   HA    d: 4.29 +/- 0.15, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 358, id: 927, d: 2.10, u: 2.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG11 -   VAL43   HB    d: 2.10 +/- 0.03, weight: 1.0
      VAL43 HG12 -   VAL43   HB
      VAL43 HG13 -   VAL43   HB

ref_spec: d2o-noesy, ref_peak: 359, id: 928, d: 2.73, u: 3.16, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -   VAL45 HG11    d: 2.82 +/- 0.45, weight: 1.0
     LEU125 HD11 -   VAL45 HG12
     LEU125 HD11 -   VAL45 HG13
     LEU125 HD12 -   VAL45 HG11
     LEU125 HD12 -   VAL45 HG12
     LEU125 HD12 -   VAL45 HG13
     LEU125 HD13 -   VAL45 HG11
     LEU125 HD13 -   VAL45 HG12
     LEU125 HD13 -   VAL45 HG13

ref_spec: d2o-noesy, ref_peak: 360, id: 929, d: 1.73, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB2 -  LEU125  HB3    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 361, id: 930, d: 8.31, u: 9.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -  CYS120   HA    d: 8.10 +/- 0.55, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 362, id: 931, d: 3.38, u: 3.96, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125   HG -  GLN122   HA    d: 3.58 +/- 0.55, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 363, id: 932, d: 2.68, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128  HB2 -  LEU125   HA    d: 3.61 +/- 1.18, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 364, id: 933, d: 3.26, u: 6.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD21 -  PRO111  HB2    d: 3.58 +/- 0.64, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 365, id: 934, d: 3.61, u: 4.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HG3 -   LEU33 HD21    d: 3.70 +/- 0.24, weight: 1.0
      GLU31  HG3 -   LEU33 HD22
      GLU31  HG3 -   LEU33 HD23

ref_spec: d2o-noesy, ref_peak: 366, id: 935, d: 4.46, u: 5.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33  HB2 -   PHE38  HB3    d: 4.38 +/- 0.57, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 1, id: 0, d: 2.18, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HE1 -  TYR114  HD1    d: 2.44 +/- 0.00, weight: 0.5

     TYR114  HE2 -  TYR114  HD2    d: 2.45 +/- 0.01, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 2, id: 1, d: 3.50, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS120   HA -  TYR114  HE2    d: 4.25 +/- 1.04, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 3, id: 2, d: 4.94, u: 6.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS120   HA -  TYR114  HD2    d: 5.58 +/- 0.99, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 4, id: 3, d: 4.04, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114  HD1 -  TYR114    H    d: 5.04 +/- 0.27, weight: 0.3

     TYR114  HD2 -  TYR114    H    d: 4.33 +/- 0.26, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 5, id: 4, d: 4.84, u: 6.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114   HA -  TYR114  HE1    d: 5.13 +/- 0.45, weight: 0.7

     TYR114   HA -  TYR114  HE2    d: 6.10 +/- 0.25, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 6, id: 5, d: 2.87, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114   HA -  TYR114  HD1    d: 2.96 +/- 0.51, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 7, id: 6, d: 5.72, u: 6.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR109   HB -  TYR114  HE1    d: 8.21 +/- 1.17, weight: 0.2

     PRO111   HA -  TYR114  HE2    d: 6.50 +/- 0.88, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 8, id: 7, d: 3.90, u: 4.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     PRO111   HA -  TYR114  HD2    d: 4.34 +/- 0.72, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 9, id: 8, d: 4.39, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114  HB3 -  TYR114  HE1    d: 5.41 +/- 0.04, weight: 0.3

     TYR114  HB3 -  TYR114  HE2    d: 4.67 +/- 0.06, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 10, id: 9, d: 4.40, u: 4.20, u_viol: 0.20, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114  HB2 -  TYR114  HE1    d: 4.68 +/- 0.11, weight: 0.7

     TYR114  HB2 -  TYR114  HE2    d: 5.33 +/- 0.10, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 11, id: 10, d: 2.45, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HB2 -  TYR114  HD1    d: 2.50 +/- 0.21, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 12, id: 11, d: 2.35, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HB3 -  TYR114  HD2    d: 2.42 +/- 0.10, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 13, id: 12, d: 2.27, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR114  HB3 -  TYR114    H    d: 2.39 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 14, id: 13, d: 2.91, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HB2 -  TYR114    H    d: 3.02 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 15, id: 14, d: 2.63, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123    H -  GLN122    H    d: 2.93 +/- 0.49, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 16, id: 15, d: 2.57, u: 4.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51  HD1 -   TRP51  HE1    d: 2.57 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 17, id: 16, d: 2.81, u: 5.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51  HZ2 -   TRP51  HE1    d: 2.82 +/- 0.01, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 18, id: 17, d: 2.86, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  THR121    H    d: 3.20 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 19, id: 18, d: 4.38, u: 4.45, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  GLN122    H    d: 4.38 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 20, id: 19, d: 4.47, u: 4.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG2 -  GLN122    H    d: 4.11 +/- 0.81, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 21, id: 20, d: 4.41, u: 4.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG3 -  GLN122    H    d: 4.28 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 22, id: 21, d: 2.45, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HB2 -  GLN122    H    d: 2.78 +/- 0.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 23, id: 22, d: 2.59, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HB3 -  GLN122    H    d: 2.67 +/- 0.47, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 24, id: 23, d: 3.85, u: 4.11, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB3 -  THR121    H    d: 3.91 +/- 0.19, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 25, id: 24, d: 2.44, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB2 -  THR121    H    d: 2.54 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 26, id: 25, d: 2.67, u: 5.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34  HB3 -   GLY35    H    d: 3.21 +/- 0.74, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 27, id: 26, d: 3.46, u: 4.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34  HB2 -   GLY35    H    d: 3.53 +/- 1.10, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 28, id: 27, d: 2.49, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY35  HA3 -   GLY35    H    d: 2.69 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 29, id: 28, d: 2.62, u: 4.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY35  HA2 -   GLY35    H    d: 2.55 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 30, id: 29, d: 2.80, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN122   HA -  GLN122    H    d: 2.71 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 31, id: 30, d: 5.93, u: 6.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  GLN122    H    d: 5.38 +/- 0.74, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 32, id: 31, d: 2.80, u: 3.50, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34   HA -   GLY35    H    d: 2.73 +/- 0.64, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 33, id: 32, d: 2.58, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HA -  GLN122    H    d: 2.62 +/- 0.17, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 34, id: 33, d: 2.24, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HB -  GLN122    H    d: 2.46 +/- 0.80, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 35, id: 34, d: 3.62, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HB -  THR121    H    d: 3.66 +/- 0.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 36, id: 35, d: 2.87, u: 4.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HA -  THR121    H    d: 2.89 +/- 0.05, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 37, id: 36, d: 2.16, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120   HA -  THR121    H    d: 2.32 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 38, id: 37, d: 2.88, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120   HA -  CYS120    H    d: 2.78 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 39, id: 38, d: 3.49, u: 5.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124    H -  THR121    H    d: 3.32 +/- 0.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 40, id: 39, d: 4.25, u: 6.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124    H -  GLN122    H    d: 4.27 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 41, id: 40, d: 2.78, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31    H -  CYS120    H    d: 3.03 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 42, id: 41, d: 3.66, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32   HA -  CYS120    H    d: 3.87 +/- 1.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 43, id: 42, d: 4.37, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31   HA -  CYS120    H    d: 4.00 +/- 0.88, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 44, id: 43, d: 2.45, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA2 -  CYS120    H    d: 2.47 +/- 0.41, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 45, id: 44, d: 3.22, u: 5.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HA -  CYS120    H    d: 3.55 +/- 0.57, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 46, id: 45, d: 2.69, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA3 -  CYS120    H    d: 2.77 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 47, id: 46, d: 3.27, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120  HB2 -  CYS120    H    d: 3.47 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 48, id: 47, d: 4.96, u: 5.35, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS115  HB2 -  CYS120    H    d: 5.40 +/- 0.61, weight: 0.6

     ASP124  HB2 -  CYS120    H    d: 5.63 +/- 0.76, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 49, id: 48, d: 3.60, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120  HB3 -  CYS120    H    d: 3.48 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 50, id: 49, d: 4.32, u: 6.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HB2 -  CYS120    H    d: 4.10 +/- 1.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 51, id: 50, d: 5.41, u: 5.71, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HB3 -  CYS120    H    d: 5.15 +/- 0.88, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 52, id: 51, d: 3.09, u: 5.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      ARG30  HB2 -  CYS120    H    d: 3.88 +/- 1.22, weight: 0.5

      LEU33   HG -  CYS120    H    d: 3.87 +/- 0.30, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 53, id: 52, d: 2.77, u: 5.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB3 -  CYS120    H    d: 3.41 +/- 0.83, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 54, id: 53, d: 4.28, u: 5.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG2 -  CYS120    H    d: 4.70 +/- 0.73, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 55, id: 54, d: 3.90, u: 6.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG3 -  CYS120    H    d: 4.17 +/- 0.72, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 56, id: 55, d: 4.86, u: 5.12, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD11 -  CYS120    H    d: 4.99 +/- 0.25, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 57, id: 56, d: 2.92, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34   HA -   CYS34    H    d: 2.90 +/- 0.04, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 58, id: 57, d: 2.19, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33   HA -   CYS34    H    d: 2.25 +/- 0.19, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 59, id: 58, d: 2.72, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32   HA -   LYS32    H    d: 2.84 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 60, id: 59, d: 2.38, u: 2.85, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31   HA -   LYS32    H    d: 2.20 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 61, id: 60, d: 1.79, u: 3.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   CYS34    H    d: 2.70 +/- 2.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 62, id: 61, d: 2.45, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      CYS34  HB2 -   CYS34    H    d: 2.58 +/- 0.28, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 63, id: 62, d: 3.19, u: 3.53, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS34  HB3 -   CYS34    H    d: 3.39 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 64, id: 63, d: 4.87, u: 5.19, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HG2 -   LYS32    H    d: 4.66 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 65, id: 64, d: 5.11, u: 5.18, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HG3 -   LYS32    H    d: 4.88 +/- 0.81, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 66, id: 65, d: 2.46, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HB2 -   LYS32    H    d: 2.40 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 67, id: 66, d: 3.90, u: 4.15, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HB2 -   LYS32    H    d: 3.70 +/- 0.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 68, id: 67, d: 3.45, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HB3 -   LYS32    H    d: 3.35 +/- 0.49, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 69, id: 68, d: 3.55, u: 3.31, u_viol: 0.24, %_viol: 25.0, viol: no, reliable: no, a_type: M
      LYS32  HB3 -   LYS32    H    d: 3.48 +/- 0.02, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 70, id: 69, d: 4.96, u: 5.12, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HD3 -   LYS32    H    d: 4.67 +/- 0.90, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 71, id: 70, d: 3.18, u: 3.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG2 -   LYS32    H    d: 3.14 +/- 0.58, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 72, id: 71, d: 4.30, u: 5.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33  HB2 -   CYS34    H    d: 3.98 +/- 0.79, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 73, id: 72, d: 2.78, u: 4.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HG3 -   LYS32    H    d: 2.92 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 74, id: 73, d: 3.68, u: 4.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB3 -   CYS34    H    d: 3.77 +/- 0.27, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 75, id: 74, d: 4.82, u: 4.76, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   CYS34    H    d: 4.75 +/- 0.06, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 76, id: 75, d: 3.26, u: 6.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38    H -   CYS34    H    d: 3.61 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 77, id: 76, d: 4.74, u: 6.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HD2 -   CYS34    H    d: 4.93 +/- 2.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 78, id: 77, d: 2.51, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR114    H -  CYS115    H    d: 2.45 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 79, id: 78, d: 2.98, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30    H    d: 2.96 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 80, id: 79, d: 3.12, u: 4.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG3 -   ARG30    H    d: 3.37 +/- 0.47, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 81, id: 80, d: 3.00, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR109 HG21 -  ASN110    H    d: 3.23 +/- 0.82, weight: 0.7
     THR109 HG22 -  ASN110    H
     THR109 HG23 -  ASN110    H

     THR121 HG21 -   MET29    H    d: 3.87 +/- 0.61, weight: 0.3
     THR121 HG22 -   MET29    H
     THR121 HG23 -   MET29    H

ref_spec: h2o-noesy, ref_peak: 82, id: 81, d: 5.37, u: 5.42, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -  GLN123    H    d: 5.63 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 83, id: 82, d: 3.47, u: 4.17, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG2 -   ARG30    H    d: 3.56 +/- 1.06, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 84, id: 83, d: 3.49, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB3 -   ARG30    H    d: 3.38 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 85, id: 84, d: 2.58, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -   ARG30    H    d: 2.73 +/- 0.72, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 86, id: 85, d: 4.43, u: 5.64, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HG3 -   ARG30    H    d: 4.48 +/- 0.57, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 87, id: 86, d: 4.61, u: 5.68, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HG2 -   ARG30    H    d: 4.60 +/- 0.58, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 88, id: 87, d: 2.84, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HA -   ARG30    H    d: 2.80 +/- 0.07, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 89, id: 88, d: 4.65, u: 7.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HA -   ARG30    H    d: 4.77 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 90, id: 89, d: 5.04, u: 5.33, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HB -   ARG30    H    d: 5.13 +/- 0.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 91, id: 90, d: 4.42, u: 6.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31    H -   ARG30    H    d: 4.13 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 92, id: 91, d: 3.44, u: 5.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45   HA -   CYS46    H    d: 2.70 +/- 0.80, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 93, id: 92, d: 3.53, u: 5.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HA -   CYS46    H    d: 4.68 +/- 0.96, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 94, id: 93, d: 2.97, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS46  HB2 -   CYS46    H    d: 3.50 +/- 0.59, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 95, id: 94, d: 3.06, u: 3.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS46  HB3 -   CYS46    H    d: 3.31 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 97, id: 96, d: 3.22, u: 4.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -   CYS46    H    d: 3.51 +/- 1.12, weight: 1.0
      VAL45 HG12 -   CYS46    H
      VAL45 HG13 -   CYS46    H

ref_spec: h2o-noesy, ref_peak: 98, id: 97, d: 2.42, u: 4.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -   CYS46    H    d: 2.94 +/- 0.68, weight: 1.0
      VAL45 HG22 -   CYS46    H
      VAL45 HG23 -   CYS46    H

ref_spec: h2o-noesy, ref_peak: 99, id: 98, d: 2.60, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY47    H -   CYS46    H    d: 2.68 +/- 0.75, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 100, id: 99, d: 2.52, u: 3.68, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45    H -   CYS46    H    d: 3.32 +/- 0.55, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 101, id: 100, d: 2.92, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS46   HA -   CYS46    H    d: 2.72 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 102, id: 101, d: 3.25, u: 3.85, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HB2 -   GLU28    H    d: 2.90 +/- 0.59, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 103, id: 102, d: 3.07, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HG3 -   GLU28    H    d: 3.28 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 104, id: 103, d: 2.42, u: 4.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HG2 -   GLU28    H    d: 2.48 +/- 0.66, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 105, id: 104, d: 5.45, u: 6.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HD3 -   GLU28    H    d: 5.58 +/- 0.11, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 106, id: 105, d: 2.86, u: 4.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28   HA -   GLU28    H    d: 2.77 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 107, id: 106, d: 2.87, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29   HA -   MET29    H    d: 2.79 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 108, id: 107, d: 2.59, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110   HA -  ASN110    H    d: 2.81 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 109, id: 108, d: 2.22, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29   HA -   ARG30    H    d: 2.36 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 110, id: 109, d: 3.75, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109    H -  ASN110    H    d: 2.74 +/- 0.91, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 111, id: 110, d: 3.96, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109    H -  ALA108    H    d: 3.98 +/- 0.87, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 112, id: 111, d: 2.35, u: 3.07, u_viol: 0.25, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28   HA -   MET29    H    d: 2.32 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 113, id: 112, d: 2.72, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109   HA -  ASN110    H    d: 3.40 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 114, id: 113, d: 3.46, u: 5.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109   HB -  ASN110    H    d: 3.35 +/- 0.80, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 115, id: 114, d: 3.21, u: 3.78, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA108  HB1 -  ALA108    H    d: 3.51 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 116, id: 115, d: 4.15, u: 6.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ALA108  HB1 -  ASN110    H    d: 4.36 +/- 0.97, weight: 0.8
     ALA108  HB2 -  ASN110    H
     ALA108  HB3 -  ASN110    H

ref_spec: h2o-noesy, ref_peak: 117, id: 116, d: 3.08, u: 3.55, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HB3 -   MET29    H    d: 3.24 +/- 0.45, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 118, id: 117, d: 3.75, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      GLU28  HB3 -   MET29    H    d: 3.85 +/- 0.46, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 119, id: 118, d: 2.88, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HB2 -   MET29    H    d: 2.81 +/- 0.50, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 120, id: 119, d: 3.89, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HG3 -   MET29    H    d: 3.47 +/- 1.04, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 121, id: 120, d: 3.93, u: 5.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HG2 -   MET29    H    d: 3.93 +/- 0.99, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 122, id: 121, d: 3.82, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB3 -  ASN110    H    d: 3.76 +/- 0.15, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 123, id: 122, d: 3.05, u: 4.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB2 -  ASN110    H    d: 2.73 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 124, id: 123, d: 5.12, u: 6.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HD2 -  ASN110    H    d: 5.33 +/- 0.08, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 125, id: 124, d: 4.33, u: 5.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HD3 -  ASN110    H    d: 4.57 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 126, id: 125, d: 4.98, u: 5.32, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: S
      GLU28  HG2 -   MET29    H    d: 5.15 +/- 0.10, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 127, id: 126, d: 2.45, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA107   HA -  ALA108    H    d: 2.74 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 128, id: 127, d: 3.28, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HB -  GLN123    H    d: 3.56 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 129, id: 128, d: 4.33, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HB -  ASP124    H    d: 4.41 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 130, id: 129, d: 2.53, u: 3.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124    H -  GLN123    H    d: 2.49 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 131, id: 130, d: 3.69, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125    H -  GLN123    H    d: 3.59 +/- 0.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 132, id: 131, d: 2.15, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125    H -  LEU126    H    d: 2.35 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 133, id: 132, d: 4.33, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HA -  GLN123    H    d: 4.35 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 134, id: 133, d: 3.14, u: 6.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121   HA -   GLU31    H    d: 3.69 +/- 1.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 135, id: 134, d: 3.11, u: 5.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS46   HA -   GLY47    H    d: 3.27 +/- 0.39, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 136, id: 135, d: 2.74, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN122   HA -  GLN123    H    d: 3.29 +/- 0.48, weight: 0.3

     GLN123   HA -  GLN123    H    d: 2.79 +/- 0.22, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 137, id: 136, d: 2.92, u: 4.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG2 -  GLN123    H    d: 3.49 +/- 0.66, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 138, id: 137, d: 2.88, u: 5.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN122  HG2 -  GLN123    H    d: 3.99 +/- 0.81, weight: 0.2

     GLN123  HG3 -  GLN123    H    d: 3.29 +/- 1.12, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 139, id: 138, d: 4.99, u: 5.03, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG3 -  GLN123    H    d: 4.55 +/- 0.86, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 140, id: 139, d: 3.94, u: 3.87, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HB2 -  GLN123    H    d: 3.97 +/- 0.10, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 141, id: 140, d: 2.31, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN123  HB2 -  GLN123    H    d: 2.48 +/- 0.26, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 142, id: 141, d: 3.60, u: 3.59, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HB3 -  GLN123    H    d: 3.56 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 143, id: 142, d: 4.41, u: 5.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD21 -  GLN123    H    d: 6.53 +/- 0.49, weight: 0.2
     LEU126 HD22 -  GLN123    H
     LEU126 HD23 -  GLN123    H

     LEU126 HD11 -  GLN123    H    d: 5.08 +/- 1.00, weight: 0.8
     LEU126 HD12 -  GLN123    H
     LEU126 HD13 -  GLN123    H

ref_spec: h2o-noesy, ref_peak: 144, id: 143, d: 3.73, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA108    H -  ALA107    H    d: 3.42 +/- 0.80, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 145, id: 144, d: 3.26, u: 6.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA107  HB1 -  ALA107    H    d: 3.29 +/- 0.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 146, id: 145, d: 4.07, u: 6.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110   HA -  ASN110 HD22    d: 4.03 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 147, id: 146, d: 1.73, u: 2.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110 HD21 -  ASN110 HD22    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 148, id: 147, d: 3.35, u: 7.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110   HA -  ASN110 HD21    d: 3.36 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 149, id: 148, d: 3.89, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB2 -  ASN110 HD22    d: 3.81 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 150, id: 149, d: 3.60, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB3 -  ASN110 HD22    d: 3.73 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 151, id: 150, d: 2.49, u: 4.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB3 -  ASN110 HD21    d: 2.77 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 152, id: 151, d: 3.13, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASN110  HB2 -  ASN110 HD21    d: 2.94 +/- 0.66, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 153, id: 152, d: 1.90, u: 3.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PHE38   HA -   PHE38  HD1    d: 1.92 +/- 0.15, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 154, id: 153, d: 2.88, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU117  HB3 -  SER118    H    d: 2.91 +/- 0.70, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 155, id: 154, d: 3.62, u: 3.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU117  HB3 -  LEU117    H    d: 3.70 +/- 0.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 156, id: 155, d: 2.21, u: 3.33, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117  HB2 -  SER118    H    d: 2.25 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 157, id: 156, d: 2.23, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117  HB2 -  LEU117    H    d: 2.87 +/- 0.70, weight: 0.6

     LEU117   HG -  LEU117    H    d: 2.99 +/- 0.40, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 158, id: 157, d: 3.28, u: 4.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117 HD21 -  LEU117    H    d: 3.84 +/- 0.32, weight: 0.6
     LEU117 HD22 -  LEU117    H
     LEU117 HD23 -  LEU117    H

     LEU117 HD11 -  LEU117    H    d: 3.99 +/- 0.39, weight: 0.4
     LEU117 HD12 -  LEU117    H
     LEU117 HD13 -  LEU117    H

ref_spec: h2o-noesy, ref_peak: 159, id: 158, d: 3.75, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117 HD21 -  SER118    H    d: 4.40 +/- 0.25, weight: 0.3
     LEU117 HD22 -  SER118    H
     LEU117 HD23 -  SER118    H

     LEU117 HD11 -  SER118    H    d: 3.72 +/- 0.75, weight: 0.7
     LEU117 HD12 -  SER118    H
     LEU117 HD13 -  SER118    H

ref_spec: h2o-noesy, ref_peak: 160, id: 159, d: 2.82, u: 3.42, u_viol: 0.13, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118  HB3 -  SER118    H    d: 2.85 +/- 0.38, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 161, id: 160, d: 2.90, u: 4.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB3 -  LEU117    H    d: 3.45 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 162, id: 161, d: 3.00, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118  HB2 -  SER118    H    d: 3.11 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 163, id: 162, d: 2.55, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119    H -  SER118    H    d: 2.90 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 164, id: 163, d: 4.21, u: 8.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HD2 -   HIS37  HE1    d: 4.21 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 165, id: 164, d: 4.10, u: 5.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HD2 -   HIS37    H    d: 3.66 +/- 0.76, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 166, id: 165, d: 4.79, u: 5.78, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HD2 -   HIS36  HE1    d: 4.75 +/- 0.58, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 167, id: 166, d: 2.73, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38    H -   HIS37    H    d: 2.86 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 168, id: 167, d: 2.62, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   HIS37    H    d: 2.68 +/- 0.35, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 169, id: 168, d: 3.61, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB3 -   HIS37    H    d: 3.63 +/- 0.08, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 170, id: 169, d: 2.63, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   PHE38    H    d: 2.87 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 171, id: 170, d: 3.75, u: 4.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB3 -   PHE38    H    d: 3.68 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 172, id: 171, d: 3.04, u: 5.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB3 -   HIS37  HD2    d: 3.24 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 173, id: 172, d: 3.69, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37  HB2 -   HIS37  HD2    d: 3.56 +/- 0.60, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 174, id: 173, d: 2.84, u: 4.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38   HA -   PHE38    H    d: 2.79 +/- 0.10, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 175, id: 174, d: 3.54, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   PHE38    H    d: 3.34 +/- 0.53, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 176, id: 175, d: 3.32, u: 5.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   HIS37  HD2    d: 3.29 +/- 1.02, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 177, id: 176, d: 2.91, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -   VAL45    H    d: 3.52 +/- 0.48, weight: 1.0
      VAL45 HG22 -   VAL45    H
      VAL45 HG23 -   VAL45    H

ref_spec: h2o-noesy, ref_peak: 178, id: 177, d: 1.79, u: 3.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -   VAL45    H    d: 1.88 +/- 0.14, weight: 1.0
      VAL45 HG12 -   VAL45    H
      VAL45 HG13 -   VAL45    H

ref_spec: h2o-noesy, ref_peak: 179, id: 178, d: 4.29, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   VAL45    H    d: 4.29 +/- 0.59, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 180, id: 179, d: 2.21, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB3 -   VAL45    H    d: 2.43 +/- 0.25, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 181, id: 180, d: 3.50, u: 3.59, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45   HB -   VAL45    H    d: 3.39 +/- 0.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 182, id: 181, d: 3.69, u: 3.81, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB2 -   VAL45    H    d: 3.76 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 183, id: 182, d: 3.70, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HA -   VAL45    H    d: 3.43 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 184, id: 183, d: 2.89, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45   HA -   VAL45    H    d: 2.88 +/- 0.06, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 185, id: 184, d: 3.57, u: 4.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44   HA -   VAL45    H    d: 3.56 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 186, id: 185, d: 2.70, u: 3.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44    H -   VAL45    H    d: 2.59 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 187, id: 186, d: 1.73, u: 2.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123 HE22 -  GLN123 HE21    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 188, id: 187, d: 1.73, u: 2.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122 HE22 -  GLN122 HE21    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 189, id: 188, d: 2.88, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      ARG44   HA -   ARG44    H    d: 2.87 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 190, id: 189, d: 2.39, u: 5.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN122  HG2 -  GLN122 HE21    d: 2.58 +/- 0.49, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 191, id: 190, d: 2.81, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG3 -  GLN122 HE21    d: 2.65 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 192, id: 191, d: 2.66, u: 4.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG2 -  GLN123 HE21    d: 2.70 +/- 0.47, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 193, id: 192, d: 2.88, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG3 -  GLN123 HE21    d: 2.77 +/- 0.65, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 194, id: 193, d: 2.74, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB2 -   ARG44    H    d: 2.73 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 195, id: 194, d: 2.38, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HB3 -   ARG44    H    d: 2.36 +/- 0.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 196, id: 195, d: 4.33, u: 4.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HG2 -   ARG44    H    d: 4.26 +/- 0.28, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 197, id: 196, d: 3.67, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HG2 -   ALA41    H    d: 4.24 +/- 0.52, weight: 0.5

      ARG44  HG3 -   ARG44    H    d: 4.48 +/- 0.13, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 198, id: 197, d: 3.10, u: 4.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -  GLN122 HE21    d: 3.05 +/- 0.73, weight: 1.0
      VAL45 HG12 -  GLN122 HE21
      VAL45 HG13 -  GLN122 HE21

ref_spec: h2o-noesy, ref_peak: 199, id: 198, d: 4.03, u: 4.32, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD21 -  GLN122 HE21    d: 5.32 +/- 0.87, weight: 0.3
     LEU126 HD22 -  GLN122 HE21
     LEU126 HD23 -  GLN122 HE21

     LEU126 HD11 -  GLN122 HE21    d: 4.53 +/- 0.81, weight: 0.7
     LEU126 HD12 -  GLN122 HE21
     LEU126 HD13 -  GLN122 HE21

ref_spec: h2o-noesy, ref_peak: 200, id: 199, d: 3.78, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -  GLN122 HE21    d: 2.94 +/- 0.92, weight: 1.0
      VAL45 HG22 -  GLN122 HE21
      VAL45 HG23 -  GLN122 HE21

ref_spec: h2o-noesy, ref_peak: 201, id: 200, d: 2.86, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41  HB1 -   ALA41    H    d: 2.83 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 202, id: 201, d: 2.52, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA108   HA -  THR109    H    d: 2.43 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 203, id: 202, d: 3.50, u: 3.74, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109   HB -  THR109    H    d: 3.58 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 204, id: 203, d: 3.26, u: 4.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG40   HA -   VAL43    H    d: 3.33 +/- 0.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 205, id: 204, d: 3.55, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HA -   VAL43    H    d: 3.55 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 206, id: 205, d: 2.19, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43   HB -   VAL43    H    d: 2.32 +/- 0.39, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 207, id: 206, d: 2.30, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   VAL43    H    d: 2.64 +/- 0.58, weight: 0.6

     ALA108  HB1 -  THR109    H    d: 2.93 +/- 0.49, weight: 0.4
     ALA108  HB2 -  THR109    H
     ALA108  HB3 -  THR109    H

ref_spec: h2o-noesy, ref_peak: 208, id: 207, d: 3.27, u: 4.21, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109 HG21 -  THR109    H    d: 2.57 +/- 0.76, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 209, id: 208, d: 2.84, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   VAL43    H    d: 2.62 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 210, id: 209, d: 5.01, u: 5.39, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG21 -  LEU125    H    d: 5.07 +/- 0.28, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 211, id: 210, d: 4.79, u: 4.56, u_viol: 0.23, %_viol: 10.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -  LEU125    H    d: 4.68 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 212, id: 211, d: 4.78, u: 4.67, u_viol: 0.11, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -  LEU125    H    d: 4.84 +/- 0.17, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 213, id: 212, d: 1.94, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB3 -  LEU125    H    d: 2.26 +/- 0.70, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 214, id: 213, d: 3.55, u: 3.28, u_viol: 0.26, %_viol: 25.0, viol: no, reliable: no, a_type: A
     LEU125   HG -  LEU125    H    d: 3.69 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 215, id: 214, d: 3.05, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB2 -  LEU125    H    d: 2.83 +/- 0.34, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 216, id: 215, d: 3.95, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB3 -  LEU125    H    d: 4.02 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 217, id: 216, d: 3.17, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASP124  HB2 -  LEU125    H    d: 3.33 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 218, id: 217, d: 2.69, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125   HA -  LEU125    H    d: 2.78 +/- 0.22, weight: 0.7

     GLN122   HA -  LEU125    H    d: 3.49 +/- 0.19, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 219, id: 218, d: 3.40, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124   HA -  LEU125    H    d: 3.24 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 220, id: 219, d: 2.84, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLN123   HA -  LEU126    H    d: 3.40 +/- 0.85, weight: 0.4

     LEU125   HA -  LEU126    H    d: 3.29 +/- 0.55, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 221, id: 220, d: 3.53, u: 3.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123   HA -  ASP124    H    d: 3.39 +/- 0.41, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 222, id: 221, d: 2.57, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY47  HA3 -   GLY47    H    d: 2.82 +/- 0.10, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 223, id: 222, d: 2.49, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY47  HA2 -   GLY47    H    d: 2.42 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 224, id: 223, d: 3.56, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB3 -  ASP124    H    d: 3.49 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 225, id: 224, d: 3.91, u: 4.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS46  HB3 -   GLY47    H    d: 3.50 +/- 0.55, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 226, id: 225, d: 2.43, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124  HB2 -  ASP124    H    d: 2.57 +/- 0.48, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 227, id: 226, d: 3.69, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL39   HA -   LEU42    H    d: 3.74 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 228, id: 227, d: 2.84, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124   HA -  ASP124    H    d: 2.72 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 229, id: 228, d: 2.13, u: 2.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY48  HA2 -   GLY48    H    d: 2.60 +/- 0.31, weight: 0.5

      ARG30   HA -   GLU31    H    d: 2.52 +/- 0.51, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 230, id: 229, d: 2.46, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51  HH2 -   TRP51  HZ2    d: 2.45 +/- 0.01, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 231, id: 230, d: 2.46, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51  HZ3 -   TRP51  HE3    d: 2.45 +/- 0.01, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 232, id: 231, d: 2.16, u: 2.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE38  HD1 -   PHE38  HE1    d: 2.43 +/- 0.01, weight: 0.5
      PHE38  HD1 -   PHE38  HE2

      PHE38  HD2 -   PHE38  HE1    d: 2.43 +/- 0.01, weight: 0.5
      PHE38  HD2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 233, id: 232, d: 3.63, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   ARG40    H    d: 3.63 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 234, id: 233, d: 2.70, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY35  HA2 -   HIS36    H    d: 3.06 +/- 0.56, weight: 0.4

      ARG40   HA -   ARG40    H    d: 2.86 +/- 0.02, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 235, id: 234, d: 2.69, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44    H -   VAL43    H    d: 2.76 +/- 0.08, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 236, id: 235, d: 2.37, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PRO49  HD2 -   LYL50    H    d: 3.04 +/- 0.94, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 237, id: 236, d: 3.48, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PRO49  HD3 -   GLY48    H    d: 4.01 +/- 1.09, weight: 0.4

      PRO49  HD3 -   LYL50    H    d: 3.88 +/- 0.30, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 238, id: 237, d: 2.18, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR131  HE1 -  TYR131  HD1    d: 2.18 +/- 0.00, weight: 1.0
     TYR131  HE1 -  TYR131  HD2
     TYR131  HE2 -  TYR131  HD1
     TYR131  HE2 -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 239, id: 238, d: 2.71, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PHE38  HB2 -   PHE38  HD1    d: 3.13 +/- 0.21, weight: 0.5

      PHE38  HB2 -   PHE38  HD2    d: 3.09 +/- 0.21, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 240, id: 239, d: 2.48, u: 3.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PHE38  HB3 -   PHE38  HD2    d: 2.48 +/- 0.09, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 241, id: 240, d: 2.75, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38  HB3 -   PHE38    H    d: 2.76 +/- 0.19, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 242, id: 241, d: 2.45, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38  HB2 -   PHE38    H    d: 2.47 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 243, id: 242, d: 3.50, u: 3.66, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS115  HB2 -   PHE38  HD1    d: 4.75 +/- 1.06, weight: 0.5

     CYS115  HB2 -   PHE38  HD2    d: 4.90 +/- 1.70, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 244, id: 243, d: 3.07, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB2 -   PHE38  HD1    d: 3.09 +/- 0.68, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 245, id: 244, d: 4.12, u: 4.63, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD11 -   LEU42    H    d: 4.29 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 246, id: 245, d: 4.46, u: 4.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125 HD21 -   LEU42    H    d: 4.52 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 247, id: 246, d: 2.37, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128  HB2 -  LEU128    H    d: 2.61 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 248, id: 247, d: 3.14, u: 3.28, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128   HG -  LEU128    H    d: 3.02 +/- 0.54, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 249, id: 248, d: 3.57, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128  HB3 -  LEU128    H    d: 3.68 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 250, id: 249, d: 2.94, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41  HB1 -   LEU42    H    d: 2.83 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 252, id: 251, d: 2.89, u: 4.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128   HA -  LEU128    H    d: 2.78 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 253, id: 252, d: 2.27, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42  HB2 -   LEU42    H    d: 2.19 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 254, id: 253, d: 3.55, u: 3.93, u_viol: 0.33, %_viol: 25.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42    H    d: 3.62 +/- 0.74, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 255, id: 254, d: 2.93, u: 3.14, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD11 -  LEU128    H    d: 3.47 +/- 0.28, weight: 0.4
     LEU128 HD12 -  LEU128    H
     LEU128 HD13 -  LEU128    H

      LEU42  HB3 -   LEU42    H    d: 3.21 +/- 0.42, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 256, id: 255, d: 2.84, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HA -   LEU42    H    d: 2.82 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 257, id: 256, d: 2.77, u: 4.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR109   HA -  THR109    H    d: 2.88 +/- 0.05, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 258, id: 257, d: 2.83, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY48  HA2 -   GLY48    H    d: 2.60 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 259, id: 258, d: 3.35, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PRO49   HA -   LYL50    H    d: 3.17 +/- 0.41, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 260, id: 259, d: 4.63, u: 5.00, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   LEU42    H    d: 4.57 +/- 0.39, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 261, id: 260, d: 3.88, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   LEU42    H    d: 3.96 +/- 0.79, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 262, id: 261, d: 5.79, u: 6.53, u_viol: 0.12, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   TRP51  HE3    d: 5.74 +/- 0.89, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 263, id: 262, d: 6.51, u: 6.83, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   TRP51  HE3    d: 6.62 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 264, id: 263, d: 5.56, u: 5.84, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   TRP51  HZ2    d: 5.62 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 265, id: 264, d: 4.70, u: 5.49, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   TRP51  HZ2    d: 4.84 +/- 0.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 266, id: 265, d: 4.09, u: 4.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -  CYS129    H    d: 4.68 +/- 0.52, weight: 0.6
     LEU128 HD22 -  CYS129    H
     LEU128 HD23 -  CYS129    H

     LEU126 HD21 -  CYS129    H    d: 5.17 +/- 0.77, weight: 0.3
     LEU126 HD22 -  CYS129    H
     LEU126 HD23 -  CYS129    H

ref_spec: h2o-noesy, ref_peak: 267, id: 266, d: 3.85, u: 4.17, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42 HD11 -   PHE38  HE1    d: 3.94 +/- 0.32, weight: 0.7
      LEU42 HD11 -   PHE38  HE2

      LEU42 HD11 -   PHE38   HZ    d: 4.42 +/- 0.36, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 268, id: 267, d: 2.91, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42 HD21 -   PHE38   HZ    d: 3.86 +/- 0.83, weight: 0.2

      LEU42 HD21 -   PHE38  HE1    d: 3.19 +/- 0.45, weight: 0.8
      LEU42 HD21 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 269, id: 268, d: 3.73, u: 4.86, u_viol: 0.14, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   TRP51  HH2    d: 3.39 +/- 1.02, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 270, id: 269, d: 4.59, u: 5.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   TRP51  HH2    d: 4.46 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 271, id: 270, d: 3.70, u: 4.27, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42 HD21 -   PHE38  HD1    d: 3.94 +/- 0.47, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 272, id: 271, d: 4.64, u: 4.72, u_viol: 0.15, %_viol: 5.0, viol: no, reliable: no, a_type: S
      LEU42 HD11 -   PHE38  HD1    d: 5.01 +/- 0.41, weight: 0.7

      LEU42 HD11 -   PHE38  HD2    d: 5.86 +/- 1.06, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 273, id: 272, d: 2.76, u: 3.57, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR127 HG21 -  THR127    H    d: 3.60 +/- 0.15, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 274, id: 273, d: 4.12, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB2 -   ARG30   HE    d: 4.33 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 275, id: 274, d: 4.53, u: 5.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HB3 -   ARG30   HE    d: 4.58 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 276, id: 275, d: 3.01, u: 5.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30  HG2 -   ARG30   HE    d: 2.85 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 277, id: 276, d: 2.36, u: 4.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG3 -   ARG30   HE    d: 2.43 +/- 0.18, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 278, id: 277, d: 3.75, u: 5.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR121 HG21 -   ARG30   HE    d: 4.35 +/- 1.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 279, id: 278, d: 2.88, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR127    H -  LEU126    H    d: 2.71 +/- 0.31, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 280, id: 279, d: 2.66, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41    H -   LEU42    H    d: 2.65 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 281, id: 280, d: 2.65, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41    H -   ARG40    H    d: 2.73 +/- 0.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 282, id: 281, d: 2.71, u: 4.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
    GLYC132  HA3 -   LYL50   HZ    d: 2.73 +/- 0.47, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 283, id: 282, d: 2.69, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR131    H - GLYC132    H    d: 3.15 +/- 1.12, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 284, id: 283, d: 2.61, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR127    H -  LEU128    H    d: 2.53 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 285, id: 284, d: 3.81, u: 3.79, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: S
      TRP51  HB2 -   TRP51  HE3    d: 3.58 +/- 0.50, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 286, id: 285, d: 2.30, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      TRP51  HB3 -   TRP51  HE3    d: 2.64 +/- 0.61, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 287, id: 286, d: 2.65, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129   HA -  CYS129    H    d: 2.74 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 288, id: 287, d: 2.42, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129    H -  LEU128    H    d: 2.73 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 289, id: 288, d: 2.76, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113    H -  TYR114    H    d: 2.79 +/- 0.17, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 290, id: 289, d: 2.83, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36   HA -   HIS36    H    d: 2.68 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 291, id: 290, d: 2.86, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR114   HA -  TYR114    H    d: 2.79 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 292, id: 291, d: 2.64, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
    GLYC132  HA3 - GLYC132    H    d: 2.65 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 293, id: 292, d: 3.60, u: 3.96, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR131  HB2 - GLYC132    H    d: 3.45 +/- 0.54, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 294, id: 293, d: 3.83, u: 4.36, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
     TYR131  HB3 - GLYC132    H    d: 3.41 +/- 0.88, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 295, id: 294, d: 2.79, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HB2 -   LYL50    H    d: 2.90 +/- 0.63, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 296, id: 295, d: 2.93, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      TRP51    H -   LYL50    H    d: 2.73 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 297, id: 296, d: 3.22, u: 3.54, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR131   HA - GLYC132    H    d: 3.00 +/- 0.62, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 298, id: 297, d: 2.39, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131  HB3 -  TYR131  HD1    d: 2.47 +/- 0.14, weight: 1.0
     TYR131  HB3 -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 299, id: 298, d: 2.40, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131  HB2 -  TYR131  HD1    d: 2.38 +/- 0.10, weight: 1.0
     TYR131  HB2 -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 300, id: 299, d: 2.62, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42    H -   VAL43    H    d: 2.75 +/- 0.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 301, id: 300, d: 3.53, u: 4.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50   HA -   TRP51    H    d: 3.28 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 302, id: 301, d: 3.53, u: 3.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131   HA -  TYR131  HD1    d: 3.18 +/- 0.52, weight: 1.0
     TYR131   HA -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 303, id: 302, d: 2.99, u: 4.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
    GLYC132  HA2 -   LYL50   HZ    d: 3.08 +/- 0.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 304, id: 303, d: 5.25, u: 8.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD21 -   VAL43    H    d: 5.19 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 305, id: 304, d: 5.30, u: 7.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   VAL43    H    d: 5.10 +/- 0.61, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 306, id: 305, d: 5.06, u: 5.36, u_viol: 0.18, %_viol: 5.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -  TYR131  HE1    d: 5.50 +/- 1.05, weight: 1.0
     LEU125 HD11 -  TYR131  HE2
     LEU125 HD12 -  TYR131  HE1
     LEU125 HD12 -  TYR131  HE2
     LEU125 HD13 -  TYR131  HE1
     LEU125 HD13 -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 307, id: 306, d: 4.88, u: 7.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD11 -  GLN122 HE22    d: 5.53 +/- 0.96, weight: 0.7
     LEU126 HD12 -  GLN122 HE22
     LEU126 HD13 -  GLN122 HE22

     LEU126 HD21 -  GLN122 HE22    d: 6.44 +/- 0.92, weight: 0.3
     LEU126 HD22 -  GLN122 HE22
     LEU126 HD23 -  GLN122 HE22

ref_spec: h2o-noesy, ref_peak: 308, id: 307, d: 2.22, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD11 -   PHE38  HE1    d: 2.69 +/- 0.90, weight: 1.0
     LEU125 HD11 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 309, id: 308, d: 3.79, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD21 -   PHE38  HE1    d: 4.31 +/- 0.71, weight: 0.9
     LEU125 HD21 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 310, id: 309, d: 3.74, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   ALA41    H    d: 3.89 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 311, id: 310, d: 4.18, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG21 -   ARG44    H    d: 4.04 +/- 0.48, weight: 0.9
      VAL43 HG22 -   ARG44    H
      VAL43 HG23 -   ARG44    H

ref_spec: h2o-noesy, ref_peak: 312, id: 311, d: 2.69, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL43 HG11 -   ARG44    H    d: 2.95 +/- 0.68, weight: 0.9
      VAL43 HG12 -   ARG44    H
      VAL43 HG13 -   ARG44    H

ref_spec: h2o-noesy, ref_peak: 313, id: 312, d: 3.28, u: 4.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -  THR127    H    d: 5.77 +/- 0.39, weight: 0.1
     LEU128 HD22 -  THR127    H
     LEU128 HD23 -  THR127    H

     LEU126 HD21 -  THR127    H    d: 4.29 +/- 0.80, weight: 0.4
     LEU126 HD22 -  THR127    H
     LEU126 HD23 -  THR127    H

     LEU126 HD11 -  THR127    H    d: 4.54 +/- 0.60, weight: 0.3
     LEU126 HD12 -  THR127    H
     LEU126 HD13 -  THR127    H

ref_spec: h2o-noesy, ref_peak: 314, id: 313, d: 3.94, u: 5.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD11 -  GLN123 HE21    d: 5.01 +/- 1.32, weight: 0.8
     LEU126 HD12 -  GLN123 HE21
     LEU126 HD13 -  GLN123 HE21

ref_spec: h2o-noesy, ref_peak: 315, id: 314, d: 3.61, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL39 HG21 -   TRP51  HE3    d: 3.61 +/- 0.89, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 316, id: 315, d: 4.05, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD21 -   PHE38  HD1    d: 4.40 +/- 0.53, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 317, id: 316, d: 3.32, u: 4.05, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125 HD11 -   PHE38  HD1    d: 3.50 +/- 0.55, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 318, id: 317, d: 2.74, u: 2.98, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -   PHE38  HD1    d: 2.67 +/- 0.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 319, id: 318, d: 4.80, u: 4.86, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -  TYR131  HD1    d: 6.01 +/- 0.90, weight: 0.3
     LEU125 HD11 -  TYR131  HD2
     LEU125 HD12 -  TYR131  HD1
     LEU125 HD12 -  TYR131  HD2
     LEU125 HD13 -  TYR131  HD1
     LEU125 HD13 -  TYR131  HD2

     LEU125 HD11 -   TRP51  HH2    d: 5.27 +/- 0.92, weight: 0.6
     LEU125 HD12 -   TRP51  HH2
     LEU125 HD13 -   TRP51  HH2

ref_spec: h2o-noesy, ref_peak: 320, id: 319, d: 2.90, u: 3.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -   PHE38  HE1    d: 3.53 +/- 0.45, weight: 0.4
     LEU128 HD21 -   PHE38  HE2
     LEU128 HD22 -   PHE38  HE1
     LEU128 HD22 -   PHE38  HE2
     LEU128 HD23 -   PHE38  HE1
     LEU128 HD23 -   PHE38  HE2

     LEU128 HD21 -   PHE38   HZ    d: 3.36 +/- 0.68, weight: 0.6
     LEU128 HD22 -   PHE38   HZ
     LEU128 HD23 -   PHE38   HZ

ref_spec: h2o-noesy, ref_peak: 321, id: 320, d: 2.64, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33 HD11 -   PHE38  HE1    d: 3.08 +/- 0.68, weight: 0.9
      LEU33 HD11 -   PHE38  HE2
      LEU33 HD12 -   PHE38  HE1
      LEU33 HD12 -   PHE38  HE2
      LEU33 HD13 -   PHE38  HE1
      LEU33 HD13 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 322, id: 321, d: 4.71, u: 5.18, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117 HD21 -  TYR114    H    d: 6.72 +/- 1.19, weight: 0.2
     LEU117 HD22 -  TYR114    H
     LEU117 HD23 -  TYR114    H

     LEU117 HD11 -  TYR114    H    d: 5.55 +/- 1.67, weight: 0.7
     LEU117 HD12 -  TYR114    H
     LEU117 HD13 -  TYR114    H

ref_spec: h2o-noesy, ref_peak: 323, id: 322, d: 3.31, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG21 -  LEU126    H    d: 3.42 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 324, id: 323, d: 3.55, u: 4.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HG3 -   LYL50    H    d: 3.70 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 325, id: 324, d: 4.17, u: 4.15, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG11 -  LEU126    H    d: 4.10 +/- 0.25, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 326, id: 325, d: 2.39, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA112  HB1 -  ALA112    H    d: 2.62 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 327, id: 326, d: 2.74, u: 4.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB3 -  LEU126    H    d: 2.82 +/- 0.61, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 328, id: 327, d: 4.01, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127 HG21 -  LEU126    H    d: 4.32 +/- 0.66, weight: 0.9
     THR127 HG22 -  LEU126    H
     THR127 HG23 -  LEU126    H

ref_spec: h2o-noesy, ref_peak: 329, id: 328, d: 3.51, u: 4.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HB3 -   LYL50    H    d: 3.55 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 330, id: 329, d: 4.16, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA41  HB1 -   ARG40    H    d: 4.27 +/- 0.08, weight: 0.9
      ALA41  HB2 -   ARG40    H
      ALA41  HB3 -   ARG40    H

ref_spec: h2o-noesy, ref_peak: 331, id: 330, d: 1.94, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33   HG -   LEU33    H    d: 2.30 +/- 0.29, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 332, id: 331, d: 4.16, u: 4.30, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HG2 -   ARG40    H    d: 4.35 +/- 0.24, weight: 0.8

     ARG113  HG2 -  ALA112    H    d: 5.60 +/- 1.16, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 333, id: 332, d: 2.07, u: 4.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYL50  HB2 -   TRP51    H    d: 3.09 +/- 1.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 334, id: 333, d: 2.79, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL39 HG11 -   TRP51  HE3    d: 3.55 +/- 1.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 335, id: 334, d: 3.71, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HD3 -   LYL50   HZ    d: 3.65 +/- 0.38, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 336, id: 335, d: 2.99, u: 4.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HD2 -   LYL50   HZ    d: 3.07 +/- 0.36, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 337, id: 336, d: 2.74, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126  HB3 -  THR127    H    d: 3.08 +/- 0.76, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 338, id: 337, d: 3.00, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LYL50  HB3 -   TRP51    H    d: 3.67 +/- 0.85, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 339, id: 338, d: 2.80, u: 5.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      ALA41  HB1 -   PHE38  HD1    d: 3.14 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 340, id: 339, d: 4.46, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA108  HB1 -  TYR114  HD1    d: 5.86 +/- 1.55, weight: 0.3

     ALA108  HB1 -  TYR114  HD2    d: 5.27 +/- 1.91, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 341, id: 340, d: 4.19, u: 3.98, u_viol: 0.21, %_viol: 10.0, viol: no, reliable: no, a_type: A
     LEU128 HD11 -   PHE38  HD2    d: 4.55 +/- 0.85, weight: 0.9
     LEU128 HD12 -   PHE38  HD2
     LEU128 HD13 -   PHE38  HD2

ref_spec: h2o-noesy, ref_peak: 342, id: 341, d: 2.37, u: 3.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU128 HD11 -   PHE38  HE1    d: 3.36 +/- 0.47, weight: 0.2
     LEU128 HD11 -   PHE38  HE2

     LEU128 HD11 -   PHE38   HZ    d: 2.75 +/- 0.71, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 343, id: 342, d: 4.64, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR109 HG21 -  TYR114  HD1    d: 4.87 +/- 0.61, weight: 0.8
     THR109 HG22 -  TYR114  HD1
     THR109 HG23 -  TYR114  HD1

ref_spec: h2o-noesy, ref_peak: 344, id: 343, d: 4.99, u: 5.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR109 HG21 -  TYR114  HE1    d: 5.86 +/- 0.71, weight: 0.5
     THR109 HG22 -  TYR114  HE1
     THR109 HG23 -  TYR114  HE1

     THR109 HG21 -  TYR114  HE2    d: 7.29 +/- 1.04, weight: 0.1
     THR109 HG22 -  TYR114  HE2
     THR109 HG23 -  TYR114  HE2

     THR121 HG21 -  TYR114  HE2    d: 6.50 +/- 0.87, weight: 0.3
     THR121 HG22 -  TYR114  HE2
     THR121 HG23 -  TYR114  HE2

ref_spec: h2o-noesy, ref_peak: 345, id: 344, d: 5.01, u: 5.99, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA108  HB1 -  TYR114  HE1    d: 6.08 +/- 1.61, weight: 0.4

     ALA108  HB1 -  TYR114  HE2    d: 5.50 +/- 1.99, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 346, id: 345, d: 3.31, u: 4.88, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128  HB3 -  TYR131  HD1    d: 3.89 +/- 1.84, weight: 1.0
     LEU128  HB3 -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 347, id: 346, d: 4.37, u: 6.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33   HG -   PHE38  HD1    d: 4.30 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 348, id: 347, d: 5.15, u: 5.39, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB3 -   VAL39    H    d: 5.65 +/- 0.37, weight: 0.7

      ARG40  HB3 -   HIS36  HD2    d: 6.53 +/- 1.00, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 349, id: 348, d: 5.88, u: 6.16, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HB3 -   TRP51  HD1    d: 5.55 +/- 1.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 350, id: 349, d: 4.82, u: 6.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYL50  HB2 -   TRP51  HD1    d: 4.88 +/- 1.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 351, id: 350, d: 2.74, u: 5.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG3 -   ARG44   HE    d: 2.90 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 352, id: 351, d: 2.90, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HG2 -   ARG44   HE    d: 2.85 +/- 0.54, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 353, id: 352, d: 3.42, u: 3.46, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HB3 -  ARG113    H    d: 3.45 +/- 0.35, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 354, id: 353, d: 2.35, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HB2 -  ARG113    H    d: 2.61 +/- 0.21, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 355, id: 354, d: 3.06, u: 3.35, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   ALA41    H    d: 2.98 +/- 0.38, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 356, id: 355, d: 2.88, u: 4.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     PRO111  HB3 -   PHE38  HE1    d: 3.07 +/- 0.99, weight: 0.8
     PRO111  HB3 -   PHE38  HE2

     PRO111  HB3 -   PHE38   HZ    d: 3.76 +/- 1.46, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 357, id: 356, d: 3.75, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128  HB3 -  CYS129    H    d: 3.76 +/- 0.83, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 359, id: 357, d: 4.46, u: 5.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33  HB2 -   PHE38    H    d: 4.07 +/- 0.80, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 360, id: 358, d: 2.41, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39    H    d: 2.31 +/- 0.19, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 361, id: 359, d: 3.47, u: 5.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB2 -   ARG44   HE    d: 3.48 +/- 1.07, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 362, id: 360, d: 4.76, u: 5.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128   HG -  CYS129    H    d: 4.72 +/- 0.29, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 363, id: 361, d: 4.46, u: 4.23, u_viol: 0.23, %_viol: 20.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   LEU42    H    d: 4.82 +/- 0.24, weight: 0.6

     LEU126  HB2 -  LEU128    H    d: 5.32 +/- 0.47, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 364, id: 362, d: 2.94, u: 3.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB3 -   ARG40    H    d: 3.05 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 365, id: 363, d: 2.21, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40  HB2 -   ARG40    H    d: 2.18 +/- 0.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 366, id: 364, d: 2.51, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126  HB2 -  LEU126    H    d: 2.33 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 367, id: 365, d: 3.61, u: 3.62, u_viol: 0.19, %_viol: 20.0, viol: no, reliable: no, a_type: A
     LEU126   HG -  LEU126    H    d: 3.86 +/- 0.77, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 368, id: 366, d: 3.33, u: 3.86, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB3 -  TYR114    H    d: 3.55 +/- 0.54, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 369, id: 367, d: 2.76, u: 3.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB2 -  TYR114    H    d: 3.00 +/- 0.76, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 370, id: 368, d: 3.66, u: 3.73, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU31  HB3 -   GLU31    H    d: 3.54 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 371, id: 369, d: 2.86, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   ARG40    H    d: 2.98 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 372, id: 370, d: 4.34, u: 4.15, u_viol: 0.19, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   LEU33    H    d: 4.30 +/- 0.11, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 373, id: 371, d: 2.62, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125   HG -  LEU126    H    d: 2.95 +/- 0.94, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 374, id: 372, d: 3.91, u: 3.70, u_viol: 0.21, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU125  HB2 -  LEU126    H    d: 3.85 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 375, id: 373, d: 2.62, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HB2 -  ASP124    H    d: 2.82 +/- 0.64, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 376, id: 374, d: 4.89, u: 4.90, u_viol: 0.12, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG44  HB3 -   GLY47    H    d: 6.53 +/- 1.62, weight: 0.3

     LEU125   HG -   GLY47    H    d: 6.72 +/- 0.41, weight: 0.2

     LEU125   HG -  ASP124    H    d: 5.99 +/- 0.61, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 377, id: 375, d: 4.63, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG2 -  ASP124    H    d: 4.81 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 378, id: 376, d: 3.99, u: 6.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN122  HB3 -  GLN122 HE21    d: 4.12 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 379, id: 377, d: 3.30, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128  HB2 -  CYS129    H    d: 3.54 +/- 0.66, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 380, id: 378, d: 3.80, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125  HB2 -   PHE38  HD1    d: 4.69 +/- 1.07, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 381, id: 379, d: 5.31, u: 5.26, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU128  HB2 -   PHE38  HD1    d: 6.12 +/- 0.67, weight: 0.6

     LEU128  HB2 -   PHE38  HD2    d: 6.45 +/- 1.22, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 382, id: 380, d: 4.18, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     PRO111  HB2 -   PHE38  HD2    d: 4.32 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 383, id: 381, d: 3.67, u: 6.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG2 -  GLN123 HE22    d: 3.69 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 384, id: 382, d: 3.78, u: 6.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HG3 -  GLN123 HE22    d: 3.73 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 385, id: 383, d: 3.55, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG2 -  GLN122 HE22    d: 3.64 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 386, id: 384, d: 3.74, u: 6.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN122  HG3 -  GLN122 HE22    d: 3.66 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 387, id: 385, d: 3.26, u: 5.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ASP124  HB3 -  TYR114  HE2    d: 3.51 +/- 0.86, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 388, id: 386, d: 4.53, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ASP124  HB3 -  TYR114  HD2    d: 4.70 +/- 0.56, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 389, id: 387, d: 3.82, u: 3.89, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS115  HB3 -   PHE38  HD1    d: 4.48 +/- 0.66, weight: 0.7

     CYS115  HB3 -   PHE38  HD2    d: 5.36 +/- 1.38, weight: 0.3

ref_spec: h2o-noesy, ref_peak: 390, id: 388, d: 4.66, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS46  HB3 -   TRP51  HH2    d: 4.78 +/- 1.84, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 391, id: 389, d: 4.02, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS115  HB3 -   PHE38   HZ    d: 5.60 +/- 0.98, weight: 0.2

     CYS115  HB3 -   PHE38  HE1    d: 4.54 +/- 0.64, weight: 0.8
     CYS115  HB3 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 392, id: 390, d: 4.30, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PHE38  HB3 -   PHE38  HE1    d: 4.42 +/- 0.02, weight: 0.8
      PHE38  HB3 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 393, id: 391, d: 4.42, u: 6.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131  HB3 -  TYR131  HE1    d: 4.44 +/- 0.03, weight: 1.0
     TYR131  HB3 -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 394, id: 392, d: 6.66, u: 6.68, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: S
      CYS46  HB2 -  TYR131  HE1    d: 6.21 +/- 1.16, weight: 1.0
      CYS46  HB2 -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 395, id: 393, d: 4.34, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      PHE38  HB2 -   PHE38  HE1    d: 4.49 +/- 0.01, weight: 0.8
      PHE38  HB2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 396, id: 394, d: 4.53, u: 4.44, u_viol: 0.13, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS46  HB3 -  CYS129    H    d: 4.46 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 397, id: 395, d: 3.02, u: 3.89, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129  HB3 -  CYS129    H    d: 3.24 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 398, id: 396, d: 2.35, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR131  HB3 -  TYR131    H    d: 3.24 +/- 0.76, weight: 0.2

      LYL50  HE3 -   LYL50   HZ    d: 2.58 +/- 0.25, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 399, id: 397, d: 3.33, u: 4.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASN110  HB3 -  ARG113    H    d: 4.09 +/- 1.13, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 400, id: 398, d: 2.49, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB3 -  CYS116    H    d: 2.85 +/- 0.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 401, id: 399, d: 4.90, u: 5.15, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
     CYS129  HB3 -  TYR131    H    d: 5.12 +/- 0.87, weight: 0.8

     CYS129  HB3 -  THR127    H    d: 6.69 +/- 1.12, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 402, id: 400, d: 3.52, u: 5.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS115  HB3 -  CYS115    H    d: 3.37 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 403, id: 401, d: 2.79, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114  HB3 -  CYS115    H    d: 3.07 +/- 0.57, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 404, id: 402, d: 4.00, u: 5.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR114  HB2 -  CYS115    H    d: 4.13 +/- 0.24, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 405, id: 403, d: 4.04, u: 4.28, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB2 -  LEU117    H    d: 4.11 +/- 0.39, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 406, id: 404, d: 3.34, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL39   HA -   ARG40    H    d: 3.52 +/- 0.03, weight: 0.7

      ARG40  HD2 -   ARG40    H    d: 4.80 +/- 0.70, weight: 0.1

ref_spec: h2o-noesy, ref_peak: 407, id: 405, d: 2.74, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HE2 -   LYL50   HZ    d: 2.71 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 408, id: 406, d: 2.80, u: 4.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116  HB2 -  CYS116    H    d: 2.81 +/- 0.34, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 409, id: 407, d: 2.64, u: 4.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS129  HB2 -  CYS129    H    d: 2.49 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 410, id: 408, d: 3.76, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   ALA41    H    d: 5.13 +/- 0.34, weight: 0.2

      ARG40  HD2 -   ALA41    H    d: 5.18 +/- 0.47, weight: 0.2

      ARG40  HD3 -   ALA41    H    d: 4.60 +/- 0.29, weight: 0.3

      ARG44  HD3 -   ARG44    H    d: 5.10 +/- 0.48, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 411, id: 409, d: 4.53, u: 6.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS37  HB3 -   ALA41    H    d: 4.71 +/- 0.23, weight: 0.8

      ARG44  HD2 -   ALA41    H    d: 6.49 +/- 1.04, weight: 0.1

ref_spec: h2o-noesy, ref_peak: 412, id: 410, d: 2.74, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HD2 -   ARG44   HE    d: 2.73 +/- 0.11, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 413, id: 411, d: 2.83, u: 3.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44  HD3 -   ARG44   HE    d: 2.83 +/- 0.08, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 414, id: 412, d: 3.67, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS115  HB2 -   PHE38  HE1    d: 3.96 +/- 0.63, weight: 0.8
     CYS115  HB2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 415, id: 413, d: 3.41, u: 5.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO130  HD3 -  CYS129    H    d: 3.68 +/- 0.94, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 416, id: 414, d: 4.43, u: 6.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     SER118  HB2 -  TYR114  HD1    d: 5.50 +/- 1.43, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 417, id: 415, d: 4.08, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASP124  HB2 -  TYR114  HE2    d: 4.52 +/- 0.61, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 418, id: 416, d: 3.90, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     SER118  HB2 -  TYR114  HE1    d: 4.77 +/- 1.53, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 419, id: 417, d: 6.77, u: 6.95, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
     PRO111  HD3 -   PHE38  HD2    d: 8.10 +/- 0.39, weight: 0.4

      LEU42   HA -   PHE38  HD2    d: 7.44 +/- 0.38, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 420, id: 418, d: 4.26, u: 7.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY35  HA2 -   VAL39    H    d: 5.80 +/- 1.67, weight: 0.3

      ARG40   HA -   VAL39    H    d: 5.36 +/- 0.15, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 421, id: 419, d: 2.92, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA3 -  GLY119    H    d: 2.90 +/- 0.04, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 422, id: 420, d: 4.56, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY48  HA2 -   TRP51  HD1    d: 6.14 +/- 1.33, weight: 0.3

      LYL50   HA -   TRP51  HD1    d: 5.29 +/- 0.50, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 423, id: 421, d: 2.46, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU125   HA -   PHE38  HE1    d: 3.26 +/- 1.05, weight: 0.8
     LEU125   HA -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 424, id: 422, d: 3.45, u: 5.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     PRO111   HA -   PHE38   HZ    d: 4.45 +/- 1.45, weight: 0.2

      PHE38   HA -   PHE38  HE1    d: 4.22 +/- 0.10, weight: 0.3
      PHE38   HA -   PHE38  HE2

     PRO111   HA -   PHE38  HE1    d: 4.13 +/- 0.89, weight: 0.4
     PRO111   HA -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 425, id: 423, d: 2.89, u: 4.73, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO130  HD2 -  CYS129    H    d: 3.27 +/- 1.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 426, id: 424, d: 3.58, u: 5.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   ARG44    H    d: 3.69 +/- 0.17, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 427, id: 425, d: 3.45, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG40   HA -   ALA41    H    d: 3.57 +/- 0.02, weight: 0.8

      ARG40   HA -   ARG44    H    d: 4.51 +/- 0.14, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 428, id: 426, d: 2.78, u: 5.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113   HA -  ARG113    H    d: 2.68 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 429, id: 427, d: 4.64, u: 4.57, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125   HA -  CYS129    H    d: 5.18 +/- 0.92, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 430, id: 428, d: 3.72, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLN123   HA -  THR127    H    d: 4.60 +/- 0.50, weight: 0.2

     LEU125   HA -  THR127    H    d: 3.87 +/- 0.47, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 431, id: 429, d: 3.42, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE38   HA -   ALA41    H    d: 3.65 +/- 0.26, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 432, id: 430, d: 2.81, u: 3.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127   HA -  THR127    H    d: 2.79 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 433, id: 431, d: 2.80, u: 3.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
    GLYC132  HA2 - GLYC132    H    d: 2.75 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 434, id: 432, d: 4.98, u: 5.06, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111  HD2 -  TYR114    H    d: 4.94 +/- 0.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 435, id: 433, d: 3.29, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY47  HA3 -   GLY48    H    d: 2.61 +/- 0.56, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 436, id: 434, d: 4.50, u: 4.57, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL45   HA -   GLY47    H    d: 4.57 +/- 0.75, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 437, id: 435, d: 4.33, u: 5.22, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45   HA -  GLN122 HE21    d: 4.76 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 438, id: 436, d: 3.47, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU117   HA -  SER118    H    d: 3.34 +/- 0.45, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 439, id: 437, d: 2.87, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117   HA -  LEU117    H    d: 2.77 +/- 0.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 440, id: 438, d: 3.42, u: 4.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127   HA -  LEU128    H    d: 3.42 +/- 0.11, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 441, id: 439, d: 3.26, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114   HA -  CYS115    H    d: 3.37 +/- 0.29, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 442, id: 440, d: 4.06, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126   HA -  LEU128    H    d: 4.34 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 443, id: 441, d: 2.72, u: 3.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU126   HA -  LEU126    H    d: 2.68 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 444, id: 442, d: 2.81, u: 3.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   HIS37    H    d: 2.74 +/- 0.20, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 445, id: 443, d: 2.85, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     SER118   HA -  SER118    H    d: 2.87 +/- 0.09, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 446, id: 444, d: 2.89, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31   HA -   GLU31    H    d: 2.73 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 447, id: 445, d: 3.78, u: 3.72, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS116   HA -   LEU33    H    d: 4.79 +/- 1.82, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 448, id: 446, d: 2.80, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33   HA -   LEU33    H    d: 2.88 +/- 0.08, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 449, id: 447, d: 2.41, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   LEU33    H    d: 2.46 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 450, id: 448, d: 2.74, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP51   HA -   TRP51    H    d: 2.83 +/- 0.10, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 451, id: 449, d: 3.70, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ASP124   HA -  THR127    H    d: 4.36 +/- 1.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 452, id: 450, d: 3.53, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU126   HA -  THR127    H    d: 3.38 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 453, id: 451, d: 3.92, u: 5.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   ALA41    H    d: 3.94 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 454, id: 452, d: 4.08, u: 5.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127   HA -  CYS129    H    d: 4.41 +/- 0.76, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 455, id: 453, d: 3.82, u: 5.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU126   HA -  CYS129    H    d: 4.66 +/- 0.90, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 456, id: 454, d: 5.08, u: 5.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     PRO130   HA -  CYS129    H    d: 5.63 +/- 0.33, weight: 0.5

     THR127   HB -  CYS129    H    d: 5.66 +/- 0.99, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 457, id: 455, d: 3.36, u: 5.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128   HA -  CYS129    H    d: 3.16 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 458, id: 456, d: 2.50, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLY119  HA2 -  GLY119    H    d: 2.48 +/- 0.15, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 459, id: 457, d: 3.61, u: 3.70, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128   HA -  TYR131  HD1    d: 3.93 +/- 1.28, weight: 1.0
     LEU128   HA -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 460, id: 458, d: 4.20, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS36   HA -   PHE38    H    d: 4.39 +/- 0.61, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 461, id: 459, d: 3.17, u: 4.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      HIS36   HA -   HIS36  HD2    d: 4.10 +/- 0.79, weight: 0.5

      HIS36   HA -   VAL39    H    d: 4.01 +/- 1.54, weight: 0.5

ref_spec: h2o-noesy, ref_peak: 462, id: 460, d: 4.81, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33   HA -   PHE38  HD1    d: 4.79 +/- 0.95, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 463, id: 461, d: 3.46, u: 4.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     CYS115   HA -  TYR114  HD2    d: 4.20 +/- 0.62, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 464, id: 462, d: 5.86, u: 6.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLY119  HA2 -  TYR114  HE1    d: 7.92 +/- 1.71, weight: 0.3

     GLY119  HA2 -  TYR114  HE2    d: 7.03 +/- 1.20, weight: 0.7

ref_spec: h2o-noesy, ref_peak: 465, id: 463, d: 5.41, u: 6.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131   HA -  TYR131  HE1    d: 5.07 +/- 0.55, weight: 1.0
     TYR131   HA -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 466, id: 464, d: 4.48, u: 7.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128   HA -  TYR131  HE1    d: 4.39 +/- 1.76, weight: 1.0
     LEU128   HA -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 467, id: 465, d: 3.87, u: 3.99, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
     THR127    H -  LEU125    H    d: 3.94 +/- 0.30, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 468, id: 466, d: 3.53, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU126 HD11 -  LEU126    H    d: 3.95 +/- 0.28, weight: 0.6
     LEU126 HD12 -  LEU126    H
     LEU126 HD13 -  LEU126    H

     LEU126 HD21 -  LEU126    H    d: 4.17 +/- 0.20, weight: 0.4
     LEU126 HD22 -  LEU126    H
     LEU126 HD23 -  LEU126    H

ref_spec: h2o-noesy, ref_peak: 469, id: 467, d: 5.84, u: 5.90, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33 HD21 -   HIS37  HD2    d: 5.46 +/- 0.93, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 470, id: 468, d: 3.59, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36  HB3 -   HIS37    H    d: 3.78 +/- 0.72, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 471, id: 469, d: 4.60, u: 5.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128   HA -  TYR131    H    d: 5.38 +/- 1.49, weight: 0.4

     LEU128   HA -  THR127    H    d: 5.02 +/- 0.35, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 472, id: 470, d: 3.66, u: 4.50, u_viol: 0.34, %_viol: 5.0, viol: no, reliable: no, a_type: S
     TYR114   HA -  SER118    H    d: 4.81 +/- 1.80, weight: 0.6

     GLY119  HA3 -  SER118    H    d: 5.08 +/- 0.43, weight: 0.4

ref_spec: h2o-noesy, ref_peak: 473, id: 471, d: 5.18, u: 7.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ASP124   HA -  THR121    H    d: 4.72 +/- 1.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 474, id: 472, d: 5.03, u: 6.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120   HA -  ASP124    H    d: 5.15 +/- 0.47, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 475, id: 473, d: 2.77, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43   HA -   VAL43    H    d: 2.73 +/- 0.03, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 476, id: 474, d: 4.85, u: 6.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG44   HA -   CYS46    H    d: 5.41 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 477, id: 475, d: 2.58, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ALA106   HA -  ALA107    H    d: 2.68 +/- 0.34, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 478, id: 476, d: 2.82, u: 4.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     CYS115   HA -  CYS115    H    d: 2.80 +/- 0.23, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 479, id: 477, d: 2.72, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO25   HA -   THR26    H    d: 2.92 +/- 0.58, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 480, id: 478, d: 3.51, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR26   HB -   THR26    H    d: 3.56 +/- 0.32, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 481, id: 479, d: 4.06, u: 6.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     PRO111   HA -  TYR114    H    d: 3.91 +/- 0.61, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 482, id: 480, d: 4.21, u: 6.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36  HD2 -   HIS36  HE1    d: 4.21 +/- 0.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 483, id: 481, d: 3.93, u: 6.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36  HB2 -   HIS37    H    d: 4.07 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 484, id: 482, d: 2.57, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   VAL39    H    d: 2.77 +/- 0.06, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 485, id: 483, d: 2.76, u: 3.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA41   HA -   ALA41    H    d: 2.75 +/- 0.02, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 486, id: 484, d: 4.30, u: 5.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     GLY119    H -  CYS120    H    d: 4.07 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 487, id: 485, d: 3.86, u: 5.15, u_viol: 0.10, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42  HB3 -   TRP51  HZ2    d: 3.98 +/- 0.68, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 488, id: 486, d: 3.59, u: 6.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD11 -  LEU126    H    d: 3.75 +/- 0.57, weight: 1.0
     LEU125 HD12 -  LEU126    H
     LEU125 HD13 -  LEU126    H

ref_spec: h2o-noesy, ref_peak: 489, id: 487, d: 3.83, u: 5.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU125 HD21 -  LEU126    H    d: 4.04 +/- 0.59, weight: 1.0
     LEU125 HD22 -  LEU126    H
     LEU125 HD23 -  LEU126    H

ref_spec: h2o-noesy, ref_peak: 490, id: 488, d: 3.59, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
    GLYC132  HA3 -  TYR131  HD1    d: 4.44 +/- 1.05, weight: 0.9
    GLYC132  HA3 -  TYR131  HD2

ref_spec: h2o-noesy, ref_peak: 491, id: 489, d: 5.08, u: 5.65, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG21 -  GLN122 HE22    d: 4.15 +/- 1.24, weight: 1.0
      VAL45 HG22 -  GLN122 HE22
      VAL45 HG23 -  GLN122 HE22

ref_spec: h2o-noesy, ref_peak: 492, id: 490, d: 4.16, u: 6.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU126 HD11 -  GLN123 HE22    d: 5.30 +/- 1.52, weight: 0.8
     LEU126 HD12 -  GLN123 HE22
     LEU126 HD13 -  GLN123 HE22

ref_spec: h2o-noesy, ref_peak: 493, id: 491, d: 3.44, u: 3.44, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA41   HA -   LEU42    H    d: 3.43 +/- 0.02, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 494, id: 492, d: 3.59, u: 5.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33    H -  CYS120    H    d: 3.73 +/- 0.77, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 495, id: 493, d: 3.61, u: 6.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33    H -   LYS32    H    d: 3.49 +/- 0.85, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 496, id: 494, d: 5.97, u: 6.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   LYS32    H    d: 5.68 +/- 0.81, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 497, id: 495, d: 5.74, u: 5.71, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: S
     GLY119  HA3 -  TYR114  HE1    d: 7.47 +/- 1.58, weight: 0.4

     GLY119  HA3 -  TYR114  HE2    d: 6.89 +/- 1.30, weight: 0.6

ref_spec: h2o-noesy, ref_peak: 498, id: 496, d: 4.30, u: 6.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     CYS120  HB2 -  TYR114  HE2    d: 4.43 +/- 1.35, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 499, id: 497, d: 2.70, u: 7.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR26 HG21 -   THR26    H    d: 2.78 +/- 0.54, weight: 1.0
      THR26 HG22 -   THR26    H
      THR26 HG23 -   THR26    H

ref_spec: h2o-noesy, ref_peak: 500, id: 498, d: 3.39, u: 3.56, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLU28  HB3 -   GLU28    H    d: 3.56 +/- 0.08, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 501, id: 499, d: 4.22, u: 4.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      MET29  HB3 -   ARG30    H    d: 4.19 +/- 0.34, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 502, id: 500, d: 5.16, u: 7.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27  HD2 -   GLU28    H    d: 5.43 +/- 0.13, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 503, id: 501, d: 5.23, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ALA106  HB1 -  ALA108    H    d: 4.70 +/- 1.06, weight: 1.0
     ALA106  HB2 -  ALA108    H
     ALA106  HB3 -  ALA108    H

ref_spec: h2o-noesy, ref_peak: 504, id: 502, d: 4.38, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HE2 -   TRP51  HZ2    d: 4.86 +/- 1.36, weight: 0.6

      TRP51  HB3 -   TRP51  HZ2    d: 6.17 +/- 0.13, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 505, id: 503, d: 3.65, u: 7.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS46  HB2 -  CYS129    H    d: 4.20 +/- 0.85, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 506, id: 504, d: 3.78, u: 6.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYL50  HE3 -   TRP51  HZ2    d: 4.32 +/- 2.30, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 507, id: 505, d: 3.63, u: 4.34, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU42  HB3 -   TRP51  HH2    d: 3.27 +/- 0.98, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 508, id: 506, d: 3.96, u: 4.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   PHE38  HD1    d: 4.24 +/- 0.41, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 509, id: 507, d: 4.61, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LYS32  HD2 -   LYS32    H    d: 4.59 +/- 0.33, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 510, id: 508, d: 3.73, u: 6.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB2 -  ARG113   HE    d: 4.25 +/- 0.38, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 511, id: 509, d: 3.82, u: 6.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HB3 -  ARG113   HE    d: 4.10 +/- 0.61, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 512, id: 510, d: 2.87, u: 3.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HD3 -   ARG30   HE    d: 2.79 +/- 0.11, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 513, id: 511, d: 2.36, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116    H -  LEU117    H    d: 2.19 +/- 0.39, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 514, id: 512, d: 5.56, u: 5.53, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO49  HD3 -   TRP51  HZ2    d: 5.45 +/- 0.24, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 515, id: 513, d: 2.91, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS116   HA -  CYS116    H    d: 2.83 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 516, id: 514, d: 2.32, u: 2.83, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO27   HA -   GLU28    H    d: 2.28 +/- 0.14, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 517, id: 515, d: 4.34, u: 5.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42 HD11 -   TRP51  HZ3    d: 3.96 +/- 1.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 518, id: 516, d: 4.20, u: 4.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD21 -   LEU33    H    d: 4.32 +/- 0.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 519, id: 517, d: 4.11, u: 5.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33  HB2 -   PHE38  HE1    d: 4.53 +/- 0.47, weight: 0.8
      LEU33  HB2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 520, id: 518, d: 2.36, u: 6.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     PRO111  HG2 -   PHE38  HE1    d: 4.76 +/- 0.96, weight: 0.1
     PRO111  HG2 -   PHE38  HE2

     LEU125  HB2 -   PHE38  HE1    d: 3.55 +/- 1.17, weight: 0.8
     LEU125  HB2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 521, id: 519, d: 4.10, u: 5.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36  HD2 -   HIS37    H    d: 4.73 +/- 1.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 522, id: 520, d: 2.60, u: 6.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     CYS116    H -  CYS115    H    d: 2.82 +/- 0.71, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 523, id: 521, d: 3.99, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS120  HB2 -  THR121    H    d: 3.41 +/- 0.72, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 524, id: 522, d: 3.58, u: 6.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU33   HA -   PHE38    H    d: 3.72 +/- 0.41, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 525, id: 523, d: 4.72, u: 4.75, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU128 HD11 -  TYR114  HD2    d: 4.73 +/- 0.60, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 526, id: 524, d: 2.68, u: 6.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113  HD3 -  ARG113   HE    d: 2.72 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 527, id: 525, d: 2.74, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL39    H -   ARG40    H    d: 2.76 +/- 0.21, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 528, id: 526, d: 3.21, u: 6.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR114  HD2 -  CYS115    H    d: 3.68 +/- 0.86, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 529, id: 527, d: 3.76, u: 4.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   ARG40    H    d: 4.10 +/- 0.14, weight: 0.8
      VAL39 HG22 -   ARG40    H
      VAL39 HG23 -   ARG40    H

ref_spec: h2o-noesy, ref_peak: 530, id: 528, d: 5.75, u: 6.21, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA112  HB1 -  ASN110 HD21    d: 8.32 +/- 1.73, weight: 0.2

     ALA112  HB1 -  ARG113   HE    d: 6.68 +/- 1.79, weight: 0.8

ref_spec: h2o-noesy, ref_peak: 531, id: 529, d: 2.37, u: 5.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS115  HB2 -  CYS115    H    d: 2.53 +/- 0.68, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 532, id: 530, d: 5.16, u: 5.05, u_viol: 0.12, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL45 HG11 -  LEU125    H    d: 5.06 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 533, id: 531, d: 4.65, u: 5.24, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ARG113  HG2 -  TYR114    H    d: 4.48 +/- 0.53, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 534, id: 532, d: 4.16, u: 6.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL45 HG11 -  GLN122 HE22    d: 3.98 +/- 0.83, weight: 1.0
      VAL45 HG12 -  GLN122 HE22
      VAL45 HG13 -  GLN122 HE22

ref_spec: h2o-noesy, ref_peak: 535, id: 533, d: 4.80, u: 6.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS37   HA -   VAL39    H    d: 4.64 +/- 0.37, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 536, id: 534, d: 4.91, u: 4.92, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: S
     PRO111  HB3 -   PHE38  HD2    d: 5.13 +/- 0.67, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 537, id: 535, d: 2.24, u: 2.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA112  HB1 -   PHE38  HD2    d: 2.51 +/- 0.42, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 538, id: 536, d: 3.90, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     CYS115   HA -  CYS120    H    d: 4.44 +/- 1.43, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 539, id: 537, d: 3.51, u: 3.61, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ALA112  HB1 -   PHE38  HE1    d: 3.44 +/- 0.29, weight: 0.9
     ALA112  HB1 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 540, id: 538, d: 2.99, u: 7.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     PRO111  HB2 -   PHE38  HE1    d: 2.84 +/- 0.91, weight: 0.9
     PRO111  HB2 -   PHE38  HE2

ref_spec: h2o-noesy, ref_peak: 541, id: 539, d: 4.72, u: 5.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117 HD21 -  TYR114  HD1    d: 6.76 +/- 1.13, weight: 0.2
     LEU117 HD22 -  TYR114  HD1
     LEU117 HD23 -  TYR114  HD1

     LEU117 HD11 -  TYR114  HD1    d: 5.31 +/- 2.44, weight: 0.8
     LEU117 HD12 -  TYR114  HD1
     LEU117 HD13 -  TYR114  HD1

ref_spec: h2o-noesy, ref_peak: 542, id: 540, d: 6.21, u: 7.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     LEU117 HD21 -  TYR114  HE1    d: 7.64 +/- 1.42, weight: 0.3
     LEU117 HD22 -  TYR114  HE1
     LEU117 HD23 -  TYR114  HE1

     LEU117 HD11 -  TYR114  HE1    d: 6.49 +/- 2.22, weight: 0.7
     LEU117 HD12 -  TYR114  HE1
     LEU117 HD13 -  TYR114  HE1

ref_spec: h2o-noesy, ref_peak: 543, id: 541, d: 4.47, u: 6.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117  HB2 -  TYR114  HD1    d: 5.07 +/- 2.30, weight: 0.7

     LEU117  HB2 -  TYR114  HD2    d: 6.53 +/- 0.85, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 544, id: 542, d: 5.77, u: 7.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU117  HB3 -  TYR114  HD1    d: 6.08 +/- 1.98, weight: 0.8

     LEU117  HB3 -  TYR114  HD2    d: 7.59 +/- 1.68, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 545, id: 543, d: 3.91, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     ALA112  HB1 -  ARG113    H    d: 3.88 +/- 0.29, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 546, id: 544, d: 7.22, u: 7.22, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43 HG11 -   TRP51  HE3    d: 6.41 +/- 2.00, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 547, id: 545, d: 4.75, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   TRP51  HD1    d: 5.15 +/- 0.85, weight: 0.8
      VAL39 HG12 -   TRP51  HD1
      VAL39 HG13 -   TRP51  HD1

      LYL50  HG3 -   TRP51  HD1    d: 6.46 +/- 1.01, weight: 0.2

ref_spec: h2o-noesy, ref_peak: 548, id: 546, d: 5.71, u: 6.11, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43 HG11 -   TRP51  HD1    d: 5.68 +/- 0.85, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 549, id: 547, d: 3.06, u: 3.30, u_viol: 0.59, %_viol: 10.0, viol: no, reliable: no, a_type: M
      VAL43 HG11 -   VAL43    H    d: 3.29 +/- 0.60, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 550, id: 548, d: 2.38, u: 6.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43 HG21 -   TRP51  HD1    d: 3.39 +/- 1.52, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 551, id: 549, d: 6.82, u: 7.55, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   TRP51  HD1    d: 6.18 +/- 1.24, weight: 1.0
      VAL39 HG22 -   TRP51  HD1
      VAL39 HG23 -   TRP51  HD1

ref_spec: h2o-noesy, ref_peak: 552, id: 550, d: 3.99, u: 3.88, u_viol: 0.14, %_viol: 0.0, viol: no, reliable: no, a_type: S
      VAL43 HG21 -   VAL43    H    d: 3.48 +/- 0.84, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 553, id: 551, d: 5.89, u: 6.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL43 HG21 -   TRP51  HE3    d: 5.03 +/- 1.63, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 554, id: 552, d: 5.85, u: 5.98, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
     LEU128 HD21 -   TRP51  HH2    d: 6.31 +/- 1.00, weight: 0.8
     LEU128 HD22 -   TRP51  HH2
     LEU128 HD23 -   TRP51  HH2

ref_spec: h2o-noesy, ref_peak: 555, id: 553, d: 5.49, u: 6.09, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   TRP51  HH2    d: 5.51 +/- 0.60, weight: 1.0
      VAL39 HG22 -   TRP51  HH2
      VAL39 HG23 -   TRP51  HH2

ref_spec: h2o-noesy, ref_peak: 556, id: 554, d: 4.34, u: 4.25, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
     LEU128 HD21 -  ALA112    H    d: 4.35 +/- 0.05, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 557, id: 555, d: 3.04, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33  HB3 -   PHE38    H    d: 2.90 +/- 0.27, weight: 0.9

ref_spec: h2o-noesy, ref_peak: 558, id: 556, d: 6.97, u: 7.33, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: M
      HIS36   HA -   HIS37  HD2    d: 6.39 +/- 1.27, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 559, id: 557, d: 3.49, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS36   HA -   HIS37    H    d: 3.27 +/- 0.53, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 560, id: 558, d: 4.42, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     TYR131  HB2 -  TYR131  HE1    d: 4.41 +/- 0.03, weight: 1.0
     TYR131  HB2 -  TYR131  HE2

ref_spec: h2o-noesy, ref_peak: 562, id: 559, d: 2.64, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HD2 -   ARG30   HE    d: 2.76 +/- 0.16, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 563, id: 560, d: 3.82, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      LEU42   HG -   TRP51  HH2    d: 3.78 +/- 1.04, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 564, id: 561, d: 2.72, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   VAL43    H    d: 2.64 +/- 0.58, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 565, id: 562, d: 3.63, u: 3.80, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
     GLN123  HB3 -  ASP124    H    d: 3.43 +/- 0.44, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 566, id: 563, d: 3.45, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     SER118   HA -  GLY119    H    d: 3.23 +/- 0.53, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 567, id: 564, d: 3.59, u: 6.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     TYR131  HB2 -  TYR131    H    d: 3.26 +/- 0.63, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 568, id: 565, d: 3.53, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
     ARG113   HA -  TYR114    H    d: 3.41 +/- 0.28, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 569, id: 566, d: 2.87, u: 4.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
     THR127   HB -  THR127    H    d: 3.37 +/- 0.40, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 570, id: 567, d: 2.96, u: 6.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
     ARG113    H -  ALA112    H    d: 3.10 +/- 0.51, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 571, id: 568, d: 2.65, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU33  HB2 -   LEU33    H    d: 2.84 +/- 0.45, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 572, id: 569, d: 3.22, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      LEU33 HD11 -   LEU33    H    d: 3.76 +/- 0.22, weight: 0.4
      LEU33 HD12 -   LEU33    H
      LEU33 HD13 -   LEU33    H

      LEU33  HB3 -   LEU33    H    d: 3.58 +/- 0.19, weight: 0.6

ref_spec: d2o-noesy, ref_peak: 53, id: 622, d: 3.72, u: 3.09, u_viol: 0.62, %_viol: 100.0, viol: yes, reliable: no, a_type: S
      LEU33 HD21 -   LEU33  HB2    d: 3.60 +/- 0.29, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 258, id: 827, d: 5.60, u: 4.38, u_viol: 1.21, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ALA41  HB1 -   LEU33   HA    d: 5.56 +/- 0.25, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 267, id: 836, d: 4.50, u: 3.45, u_viol: 1.05, %_viol: 100.0, viol: yes, reliable: no, a_type: S
      LEU33  HB3 -  CYS115  HB2    d: 4.88 +/- 0.82, weight: 1.0

ref_spec: d2o-noesy, ref_peak: 343, id: 912, d: 6.04, u: 2.88, u_viol: 3.16, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      VAL45   HB -   LEU42   HA    d: 5.91 +/- 0.74, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 96, id: 95, d: 4.17, u: 3.69, u_viol: 0.48, %_viol: 90.0, viol: yes, reliable: no, a_type: M
      VAL45   HB -   CYS46    H    d: 3.99 +/- 0.22, weight: 1.0

ref_spec: h2o-noesy, ref_peak: 251, id: 250, d: 5.12, u: 3.64, u_viol: 1.48, %_viol: 100.0, viol: yes, reliable: no, a_type: M
     LEU128 HD21 -  LEU128    H    d: 5.19 +/- 0.47, weight: 1.0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA 106           HT1      ALA 106  -7.949  -0.082   6.355
    2    H2   ALA 106           HT2      ALA 106  -8.995  -0.336   7.659
    3    H3   ALA 106           HT3      ALA 106  -8.497  -1.644   6.710
    4    HA   ALA 106           HA       ALA 106  -6.228  -1.367   7.437
    5    HB1  ALA 106           HB1      ALA 106  -5.671   0.233   9.177
    6    HB2  ALA 106           HB2      ALA 106  -7.335   0.817   9.197
    7    HB3  ALA 106           HB3      ALA 106  -6.332   1.062   7.767
    8    H    ALA 107           HN       ALA 107  -5.471  -2.502   9.258
    9    HA   ALA 107           HA       ALA 107  -5.610  -4.078  10.891
   10    HB1  ALA 107           HB1      ALA 107  -7.846  -2.305  11.870
   11    HB2  ALA 107           HB2      ALA 107  -6.136  -2.149  12.273
   12    HB3  ALA 107           HB3      ALA 107  -7.044  -3.562  12.812
   13    H    ALA 108           HN       ALA 108  -6.398  -5.432   9.020
   14    HA   ALA 108           HA       ALA 108  -8.886  -6.732   9.822
   15    HB1  ALA 108           HB1      ALA 108  -8.355  -5.807   7.000
   16    HB2  ALA 108           HB2      ALA 108  -9.597  -5.193   8.090
   17    HB3  ALA 108           HB3      ALA 108  -9.686  -6.851   7.496
   18    H    THR 109           HN       THR 109  -6.348  -6.854   7.312
   19    HA   THR 109           HA       THR 109  -5.759  -9.605   8.107
   20    HB   THR 109           HB       THR 109  -5.568 -10.170   5.620
   21    HG1  THR 109           HG1      THR 109  -7.423  -8.698   4.627
   22   HG21  THR 109          HG21      THR 109  -8.306  -9.643   6.775
   23   HG22  THR 109          HG22      THR 109  -7.329 -11.086   7.046
   24   HG23  THR 109          HG23      THR 109  -7.947 -10.729   5.433
   25    H    ASN 110           HN       ASN 110  -3.819 -10.317   6.449
   26    HA   ASN 110           HA       ASN 110  -1.548  -9.030   7.277
   27    HB2  ASN 110           HB2      ASN 110  -1.874 -10.445   4.624
   28    HB3  ASN 110           HB1      ASN 110  -0.366 -10.193   5.494
   29   HD21  ASN 110          HD21      ASN 110  -1.504 -10.738   8.093
   30   HD22  ASN 110          HD22      ASN 110  -1.770 -12.443   8.165
   31    HA   PRO 111           HA       PRO 111  -0.921  -5.208   5.200
   32    HB2  PRO 111           HB2      PRO 111   1.689  -6.245   4.206
   33    HB3  PRO 111           HB1      PRO 111   1.333  -4.780   5.119
   34    HG2  PRO 111           HG2      PRO 111   2.445  -6.864   6.317
   35    HG3  PRO 111           HG1      PRO 111   1.187  -5.918   7.138
   36    HD2  PRO 111           HD2      PRO 111   0.974  -8.581   5.779
   37    HD3  PRO 111           HD1      PRO 111   0.227  -8.027   7.292
   38    H    ALA 112           HN       ALA 112   1.240  -6.595   2.907
   39    HA   ALA 112           HA       ALA 112   0.089  -5.553   0.662
   40    HB1  ALA 112           HB1      ALA 112   1.691  -8.098   0.843
   41    HB2  ALA 112           HB2      ALA 112   2.336  -6.461   0.706
   42    HB3  ALA 112           HB3      ALA 112   1.410  -7.159  -0.624
   43    H    ARG 113           HN       ARG 113  -0.581  -8.731   2.096
   44    HA   ARG 113           HA       ARG 113  -2.137  -9.816   0.083
   45    HB2  ARG 113           HB2      ARG 113  -2.420 -10.089   3.075
   46    HB3  ARG 113           HB1      ARG 113  -3.237 -11.107   1.907
   47    HG2  ARG 113           HG2      ARG 113  -0.250 -10.855   2.024
   48    HG3  ARG 113           HG1      ARG 113  -1.151 -12.057   2.949
   49    HD2  ARG 113           HD2      ARG 113  -0.452 -13.155   0.984
   50    HD3  ARG 113           HD1      ARG 113  -2.161 -12.796   0.750
   51    HE   ARG 113           HE       ARG 113  -0.750 -10.683  -0.346
   52   HH11  ARG 113          HH11      ARG 113  -1.045 -14.117  -0.867
   53   HH12  ARG 113          HH12      ARG 113  -0.709 -14.017  -2.563
   54   HH21  ARG 113          HH21      ARG 113  -0.308 -10.546  -2.580
   55   HH22  ARG 113          HH22      ARG 113  -0.290 -11.990  -3.536
   56    H    TYR 114           HN       TYR 114  -3.083  -7.660   2.736
   57    HA   TYR 114           HA       TYR 114  -5.845  -7.597   2.063
   58    HB2  TYR 114           HB2      TYR 114  -5.397  -6.917   4.253
   59    HB3  TYR 114           HB1      TYR 114  -4.059  -5.883   3.768
   60    HD1  TYR 114           HD1      TYR 114  -7.727  -6.223   3.791
   61    HD2  TYR 114           HD2      TYR 114  -4.425  -3.588   3.290
   62    HE1  TYR 114           HE1      TYR 114  -9.254  -4.314   3.848
   63    HE2  TYR 114           HE2      TYR 114  -5.955  -1.662   3.341
   64    HH   TYR 114           HH       TYR 114  -8.360  -1.201   2.900
   65    H    CYS 115           HN       CYS 115  -3.192  -5.321   1.460
   66    HA   CYS 115           HA       CYS 115  -4.669  -3.441   0.000
   67    HB2  CYS 115           HB2      CYS 115  -1.722  -4.104  -0.119
   68    HB3  CYS 115           HB1      CYS 115  -2.458  -2.661  -0.811
   69    H    CYS 116           HN       CYS 116  -3.831  -6.582  -0.844
   70    HA   CYS 116           HA       CYS 116  -3.705  -6.035  -3.703
   71    HB2  CYS 116           HB2      CYS 116  -2.138  -7.676  -2.926
   72    HB3  CYS 116           HB1      CYS 116  -3.400  -8.571  -2.087
   73    H    LEU 117           HN       LEU 117  -5.723  -7.854  -1.412
   74    HA   LEU 117           HA       LEU 117  -7.616  -8.715  -3.323
   75    HB2  LEU 117           HB2      LEU 117  -7.789  -8.399  -0.347
   76    HB3  LEU 117           HB1      LEU 117  -9.068  -9.108  -1.309
   77    HG   LEU 117           HG       LEU 117  -6.256 -10.197  -1.122
   78   HD11  LEU 117          HD11      LEU 117  -8.794 -11.120   0.218
   79   HD12  LEU 117          HD12      LEU 117  -7.403 -10.386   1.014
   80   HD13  LEU 117          HD13      LEU 117  -7.247 -11.967   0.248
   81   HD21  LEU 117          HD21      LEU 117  -8.772 -11.333  -2.339
   82   HD22  LEU 117          HD22      LEU 117  -7.230 -12.176  -2.194
   83   HD23  LEU 117          HD23      LEU 117  -7.361 -10.747  -3.220
   84    H    SER 118           HN       SER 118  -8.541  -6.644  -0.615
   85    HA   SER 118           HA       SER 118 -10.634  -5.432  -2.090
   86    HB2  SER 118           HB2      SER 118 -10.902  -3.982  -0.102
   87    HB3  SER 118           HB1      SER 118 -10.774  -5.687   0.333
   88    HG   SER 118           HG       SER 118  -8.894  -3.619   0.655
   89    H    GLY 119           HN       GLY 119  -7.702  -3.935  -0.688
   90    HA2  GLY 119           HA2      GLY 119  -6.636  -2.645  -2.786
   91    HA3  GLY 119           HA1      GLY 119  -8.033  -1.645  -2.439
   92    H    CYS 120           HN       CYS 120  -5.955  -0.223  -2.270
   93    HA   CYS 120           HA       CYS 120  -5.699   0.480   0.475
   94    HB2  CYS 120           HB2      CYS 120  -3.604  -1.176  -0.756
   95    HB3  CYS 120           HB1      CYS 120  -3.010   0.283   0.027
   96    H    THR 121           HN       THR 121  -5.660   2.615   0.460
   97    HA   THR 121           HA       THR 121  -4.928   4.050  -1.942
   98    HB   THR 121           HB       THR 121  -5.920   5.939  -1.001
   99    HG1  THR 121           HG1      THR 121  -5.771   6.437   1.087
  100   HG21  THR 121          HG21      THR 121  -7.545   4.062  -1.286
  101   HG22  THR 121          HG22      THR 121  -8.026   5.234  -0.059
  102   HG23  THR 121          HG23      THR 121  -7.338   3.685   0.425
  103    H    GLN 122           HN       GLN 122  -3.636   6.177  -1.534
  104    HA   GLN 122           HA       GLN 122  -0.983   5.565  -1.031
  105    HB2  GLN 122           HB2      GLN 122  -1.773   7.592  -2.215
  106    HB3  GLN 122           HB1      GLN 122  -2.330   8.257  -0.690
  107    HG2  GLN 122           HG2      GLN 122   0.079   8.026   0.101
  108    HG3  GLN 122           HG1      GLN 122   0.484   7.781  -1.597
  109   HE21  GLN 122          HE21      GLN 122   1.156   9.942   0.308
  110   HE22  GLN 122          HE22      GLN 122   0.649  11.402  -0.463
  111    H    GLN 123           HN       GLN 123  -3.484   6.523   1.200
  112    HA   GLN 123           HA       GLN 123  -1.699   7.054   3.383
  113    HB2  GLN 123           HB2      GLN 123  -4.677   6.501   3.381
  114    HB3  GLN 123           HB1      GLN 123  -3.756   7.107   4.749
  115    HG2  GLN 123           HG2      GLN 123  -4.018   8.538   2.117
  116    HG3  GLN 123           HG1      GLN 123  -5.030   8.846   3.528
  117   HE21  GLN 123          HE21      GLN 123  -1.858   9.161   2.146
  118   HE22  GLN 123          HE22      GLN 123  -1.242  10.284   3.306
  119    H    ASP 124           HN       ASP 124  -3.910   4.359   2.588
  120    HA   ASP 124           HA       ASP 124  -3.211   2.741   4.776
  121    HB2  ASP 124           HB2      ASP 124  -4.190   1.931   2.027
  122    HB3  ASP 124           HB1      ASP 124  -4.127   0.864   3.427
  123    H    LEU 125           HN       LEU 125  -1.559   3.570   1.927
  124    HA   LEU 125           HA       LEU 125   0.288   1.359   1.960
  125    HB2  LEU 125           HB2      LEU 125   0.157   1.959  -0.189
  126    HB3  LEU 125           HB1      LEU 125  -0.735   3.383   0.214
  127    HG   LEU 125           HG       LEU 125   1.305   4.640   0.424
  128   HD11  LEU 125          HD11      LEU 125   3.382   3.407  -0.515
  129   HD12  LEU 125          HD12      LEU 125   2.496   1.967  -0.024
  130   HD13  LEU 125          HD13      LEU 125   2.949   3.168   1.181
  131   HD21  LEU 125          HD21      LEU 125   0.224   4.518  -1.721
  132   HD22  LEU 125          HD22      LEU 125   1.050   3.005  -2.047
  133   HD23  LEU 125          HD23      LEU 125   1.971   4.485  -1.954
  134    H    LEU 126           HN       LEU 126   0.027   4.723   2.652
  135    HA   LEU 126           HA       LEU 126   2.617   5.411   3.329
  136    HB2  LEU 126           HB2      LEU 126   1.518   7.340   3.562
  137    HB3  LEU 126           HB1      LEU 126  -0.006   6.495   3.550
  138    HG   LEU 126           HG       LEU 126   0.455   6.097   6.068
  139   HD11  LEU 126          HD11      LEU 126   2.153   8.544   5.616
  140   HD12  LEU 126          HD12      LEU 126   2.788   6.936   5.962
  141   HD13  LEU 126          HD13      LEU 126   1.792   7.766   7.157
  142   HD21  LEU 126          HD21      LEU 126  -1.379   7.422   5.307
  143   HD22  LEU 126          HD22      LEU 126  -0.309   8.769   4.913
  144   HD23  LEU 126          HD23      LEU 126  -0.560   8.303   6.597
  145    H    THR 127           HN       THR 127   0.205   3.631   5.104
  146    HA   THR 127           HA       THR 127   1.754   3.696   7.556
  147    HB   THR 127           HB       THR 127  -0.619   3.952   7.798
  148    HG1  THR 127           HG1      THR 127  -0.845   1.618   8.916
  149   HG21  THR 127          HG21      THR 127  -1.254   2.770   5.740
  150   HG22  THR 127          HG22      THR 127  -2.189   2.229   7.136
  151   HG23  THR 127          HG23      THR 127  -0.868   1.236   6.517
  152    H    LEU 128           HN       LEU 128   2.257   2.083   4.878
  153    HA   LEU 128           HA       LEU 128   3.197  -0.297   6.309
  154    HB2  LEU 128           HB2      LEU 128   1.617  -0.194   3.776
  155    HB3  LEU 128           HB1      LEU 128   2.708  -1.524   4.088
  156    HG   LEU 128           HG       LEU 128   0.634  -0.743   6.076
  157   HD11  LEU 128          HD11      LEU 128  -0.865  -2.395   5.112
  158   HD12  LEU 128          HD12      LEU 128   0.277  -2.673   3.798
  159   HD13  LEU 128          HD13      LEU 128  -0.524  -1.111   3.951
  160   HD21  LEU 128          HD21      LEU 128   2.392  -2.191   6.832
  161   HD22  LEU 128          HD22      LEU 128   2.155  -3.232   5.431
  162   HD23  LEU 128          HD23      LEU 128   0.904  -3.132   6.672
  163    H    CYS 129           HN       CYS 129   4.096   2.312   4.484
  164    HA   CYS 129           HA       CYS 129   6.185   0.873   3.058
  165    HB2  CYS 129           HB2      CYS 129   4.869   2.626   1.899
  166    HB3  CYS 129           HB1      CYS 129   5.611   3.822   2.957
  167    HA   PRO 130           HA       PRO 130   9.039   3.734   5.597
  168    HB2  PRO 130           HB2      PRO 130   8.036   5.247   7.598
  169    HB3  PRO 130           HB1      PRO 130   8.092   5.794   5.920
  170    HG2  PRO 130           HG2      PRO 130   5.796   4.710   7.485
  171    HG3  PRO 130           HG1      PRO 130   5.825   6.025   6.299
  172    HD2  PRO 130           HD2      PRO 130   4.970   3.471   5.759
  173    HD3  PRO 130           HD1      PRO 130   5.590   4.587   4.533
  174    H    TYR 131           HN       TYR 131   8.877   1.245   6.166
  175    HA   TYR 131           HA       TYR 131   9.314   1.073   9.037
  176    HB2  TYR 131           HB2      TYR 131   7.508  -0.925   7.664
  177    HB3  TYR 131           HB1      TYR 131   7.885  -0.830   9.381
  178    HD1  TYR 131           HD1      TYR 131   6.041   0.751   6.621
  179    HD2  TYR 131           HD2      TYR 131   6.715   0.685  10.819
  180    HE1  TYR 131           HE1      TYR 131   4.087   2.203   6.945
  181    HE2  TYR 131           HE2      TYR 131   4.755   2.130  11.164
  182    HH   TYR 131           HH       TYR 131   2.444   2.682   8.836
  183    H    GLY 132           HN       GLY 132   9.077  -0.890   6.085
  184    HA2  GLY 132           HA2      GLY 132  11.530  -2.300   6.884
  185    HA3  GLY 132           HA1      GLY 132  10.348  -2.883   5.722
  186    H2   PRO  25           HT1      PRO  25 -16.610   8.538  -2.407
  187    H3   PRO  25           HT2      PRO  25 -17.899   9.003  -1.521
  188    HA   PRO  25           HA       PRO  25 -17.368   7.867   0.203
  189    HB2  PRO  25           HB2      PRO  25 -15.914   5.589  -0.671
  190    HB3  PRO  25           HB1      PRO  25 -17.553   5.640  -0.007
  191    HG2  PRO  25           HG2      PRO  25 -16.661   5.610  -2.835
  192    HG3  PRO  25           HG1      PRO  25 -18.151   4.973  -2.115
  193    HD2  PRO  25           HD2      PRO  25 -18.198   7.200  -3.583
  194    HD3  PRO  25           HD1      PRO  25 -19.196   7.060  -2.123
  195    H    THR  26           HN       THR  26 -15.938   9.646   0.429
  196    HA   THR  26           HA       THR  26 -13.956  10.648   0.862
  197    HB   THR  26           HB       THR  26 -12.112   9.355   1.620
  198    HG1  THR  26           HG1      THR  26 -12.379   6.918   1.215
  199   HG21  THR  26          HG21      THR  26 -14.662   7.846   2.207
  200   HG22  THR  26          HG22      THR  26 -14.065   9.261   3.074
  201   HG23  THR  26          HG23      THR  26 -13.172   7.742   3.144
  202    HA   PRO  27           HA       PRO  27 -12.024  11.194  -3.079
  203    HB2  PRO  27           HB2      PRO  27 -10.161  13.009  -2.461
  204    HB3  PRO  27           HB1      PRO  27 -11.884  13.394  -2.363
  205    HG2  PRO  27           HG2      PRO  27  -9.969  12.700  -0.176
  206    HG3  PRO  27           HG1      PRO  27 -11.254  13.919  -0.194
  207    HD2  PRO  27           HD2      PRO  27 -11.473  11.408   0.949
  208    HD3  PRO  27           HD1      PRO  27 -12.844  12.409   0.434
  209    H    GLU  28           HN       GLU  28 -11.120   8.857  -1.633
  210    HA   GLU  28           HA       GLU  28  -8.256   8.867  -2.281
  211    HB2  GLU  28           HB2      GLU  28  -9.790   7.003  -0.462
  212    HB3  GLU  28           HB1      GLU  28  -8.063   6.970  -0.756
  213    HG2  GLU  28           HG2      GLU  28  -7.872   9.220   0.221
  214    HG3  GLU  28           HG1      GLU  28  -9.598   9.181   0.577
  215    H    MET  29           HN       MET  29  -7.658   6.312  -2.609
  216    HA   MET  29           HA       MET  29  -9.562   4.960  -4.305
  217    HB2  MET  29           HB2      MET  29  -8.554   6.596  -5.852
  218    HB3  MET  29           HB1      MET  29  -6.958   5.963  -5.471
  219    HG2  MET  29           HG2      MET  29  -7.483   3.855  -6.467
  220    HG3  MET  29           HG1      MET  29  -9.168   4.324  -6.684
  221    HE1  MET  29           HE1      MET  29  -9.999   6.113  -8.462
  222    HE2  MET  29           HE2      MET  29  -8.899   7.106  -9.420
  223    HE3  MET  29           HE3      MET  29  -8.960   7.297  -7.668
  224    H    ARG  30           HN       ARG  30  -9.416   3.159  -3.069
  225    HA   ARG  30           HA       ARG  30  -7.013   2.080  -2.045
  226    HB2  ARG  30           HB2      ARG  30  -9.810   1.101  -2.357
  227    HB3  ARG  30           HB1      ARG  30  -8.558  -0.061  -1.952
  228    HG2  ARG  30           HG2      ARG  30  -9.283   0.513   0.126
  229    HG3  ARG  30           HG1      ARG  30  -7.997   1.700  -0.092
  230    HD2  ARG  30           HD2      ARG  30  -9.777   3.255  -0.998
  231    HD3  ARG  30           HD1      ARG  30 -10.963   2.093  -0.408
  232    HE   ARG  30           HE       ARG  30  -9.243   2.711   1.701
  233   HH11  ARG  30          HH11      ARG  30 -11.648   4.268  -0.282
  234   HH12  ARG  30          HH12      ARG  30 -12.116   5.395   0.946
  235   HH21  ARG  30          HH21      ARG  30  -9.856   4.189   3.326
  236   HH22  ARG  30          HH22      ARG  30 -11.098   5.351   2.997
  237    H    GLU  31           HN       GLU  31  -5.506   1.883  -3.743
  238    HA   GLU  31           HA       GLU  31  -6.089   0.454  -6.132
  239    HB2  GLU  31           HB2      GLU  31  -3.282   0.617  -5.120
  240    HB3  GLU  31           HB1      GLU  31  -3.901   0.818  -6.752
  241    HG2  GLU  31           HG2      GLU  31  -4.787   3.005  -6.175
  242    HG3  GLU  31           HG1      GLU  31  -4.211   2.809  -4.521
  243    H    LYS  32           HN       LYS  32  -5.817  -1.675  -6.631
  244    HA   LYS  32           HA       LYS  32  -5.694  -3.530  -4.460
  245    HB2  LYS  32           HB2      LYS  32  -5.989  -3.765  -7.420
  246    HB3  LYS  32           HB1      LYS  32  -5.856  -5.173  -6.389
  247    HG2  LYS  32           HG2      LYS  32  -7.793  -3.999  -5.063
  248    HG3  LYS  32           HG1      LYS  32  -8.059  -3.197  -6.614
  249    HD2  LYS  32           HD2      LYS  32  -8.034  -5.498  -7.649
  250    HD3  LYS  32           HD1      LYS  32  -8.122  -6.141  -6.012
  251    HE2  LYS  32           HE2      LYS  32 -10.207  -4.966  -5.631
  252    HE3  LYS  32           HE1      LYS  32 -10.113  -4.233  -7.232
  253    HZ1  LYS  32           HZ1      LYS  32 -10.342  -7.145  -6.694
  254    HZ2  LYS  32           HZ2      LYS  32 -10.312  -6.415  -8.219
  255    HZ3  LYS  32           HZ3      LYS  32 -11.614  -6.139  -7.176
  256    H    LEU  33           HN       LEU  33  -3.460  -2.295  -4.273
  257    HA   LEU  33           HA       LEU  33  -1.219  -2.960  -5.725
  258    HB2  LEU  33           HB2      LEU  33  -1.379  -2.484  -2.751
  259    HB3  LEU  33           HB1      LEU  33   0.029  -2.254  -3.773
  260    HG   LEU  33           HG       LEU  33  -2.539  -0.679  -3.970
  261   HD11  LEU  33          HD11      LEU  33   0.156   0.219  -2.987
  262   HD12  LEU  33          HD12      LEU  33  -1.228  -0.143  -1.955
  263   HD13  LEU  33          HD13      LEU  33  -1.308   1.196  -3.101
  264   HD21  LEU  33          HD21      LEU  33  -1.518  -0.884  -6.121
  265   HD22  LEU  33          HD22      LEU  33   0.037  -0.442  -5.443
  266   HD23  LEU  33          HD23      LEU  33  -1.251   0.748  -5.506
  267    H    CYS  34           HN       CYS  34  -1.058  -5.054  -6.336
  268    HA   CYS  34           HA       CYS  34  -0.920  -7.121  -4.264
  269    HB2  CYS  34           HB2      CYS  34  -1.265  -7.270  -7.260
  270    HB3  CYS  34           HB1      CYS  34  -1.047  -8.679  -6.235
  271    H    GLY  35           HN       GLY  35   0.968  -7.988  -3.696
  272    HA2  GLY  35           HA2      GLY  35   3.227  -8.383  -3.612
  273    HA3  GLY  35           HA1      GLY  35   3.060  -8.733  -5.324
  274    H    HIS  36           HN       HIS  36   4.290  -7.584  -6.631
  275    HA   HIS  36           HA       HIS  36   6.017  -5.568  -5.747
  276    HB2  HIS  36           HB2      HIS  36   6.558  -5.228  -8.116
  277    HB3  HIS  36           HB1      HIS  36   6.491  -6.939  -7.713
  278    HD1  HIS  36           HD1      HIS  36   5.456  -4.713 -10.283
  279    HD2  HIS  36           HD2      HIS  36   3.738  -7.990  -8.393
  280    HE1  HIS  36           HE1      HIS  36   3.650  -5.563 -11.837
  281    H    HIS  37           HN       HIS  37   2.802  -5.355  -7.200
  282    HA   HIS  37           HA       HIS  37   2.781  -2.663  -7.899
  283    HB2  HIS  37           HB2      HIS  37   0.477  -4.186  -6.668
  284    HB3  HIS  37           HB1      HIS  37   0.361  -2.715  -7.621
  285    HD1  HIS  37           HD1      HIS  37   0.054  -6.275  -7.986
  286    HD2  HIS  37           HD2      HIS  37   1.426  -3.157 -10.364
  287    HE1  HIS  37           HE1      HIS  37   0.023  -7.131 -10.366
  288    H    PHE  38           HN       PHE  38   2.245  -4.191  -4.753
  289    HA   PHE  38           HA       PHE  38   1.645  -1.751  -3.432
  290    HB2  PHE  38           HB2      PHE  38   1.116  -4.134  -2.609
  291    HB3  PHE  38           HB1      PHE  38   2.783  -4.182  -2.062
  292    HD1  PHE  38           HD1      PHE  38   0.753  -1.137  -1.965
  293    HD2  PHE  38           HD2      PHE  38   2.251  -4.404   0.298
  294    HE1  PHE  38           HE1      PHE  38   0.054  -0.016   0.100
  295    HE2  PHE  38           HE2      PHE  38   1.575  -3.286   2.366
  296    HZ   PHE  38           HZ       PHE  38   0.471  -1.085   2.270
  297    H    VAL  39           HN       VAL  39   4.537  -3.829  -3.226
  298    HA   VAL  39           HA       VAL  39   6.245  -2.209  -1.828
  299    HB   VAL  39           HB       VAL  39   6.858  -4.027  -4.170
  300   HG11  VAL  39          HG11      VAL  39   8.799  -2.868  -2.176
  301   HG12  VAL  39          HG12      VAL  39   8.686  -2.431  -3.882
  302   HG13  VAL  39          HG13      VAL  39   9.167  -4.063  -3.420
  303   HG21  VAL  39          HG21      VAL  39   5.833  -5.138  -2.274
  304   HG22  VAL  39          HG22      VAL  39   7.036  -4.440  -1.189
  305   HG23  VAL  39          HG23      VAL  39   7.527  -5.608  -2.417
  306    H    ARG  40           HN       ARG  40   5.181  -1.780  -5.118
  307    HA   ARG  40           HA       ARG  40   7.188   0.187  -5.778
  308    HB2  ARG  40           HB2      ARG  40   5.682  -1.368  -7.301
  309    HB3  ARG  40           HB1      ARG  40   4.575  -0.013  -7.217
  310    HG2  ARG  40           HG2      ARG  40   6.197   1.459  -8.188
  311    HG3  ARG  40           HG1      ARG  40   7.438   0.207  -8.118
  312    HD2  ARG  40           HD2      ARG  40   6.111  -1.161  -9.677
  313    HD3  ARG  40           HD1      ARG  40   4.919   0.135  -9.776
  314    HE   ARG  40           HE       ARG  40   7.516   1.081 -10.426
  315   HH11  ARG  40          HH11      ARG  40   4.845  -0.759 -11.701
  316   HH12  ARG  40          HH12      ARG  40   5.211  -0.385 -13.352
  317   HH21  ARG  40          HH21      ARG  40   8.005   1.576 -12.595
  318   HH22  ARG  40          HH22      ARG  40   7.008   0.941 -13.861
  319    H    ALA  41           HN       ALA  41   3.657   0.283  -5.263
  320    HA   ALA  41           HA       ALA  41   3.332   3.031  -5.133
  321    HB1  ALA  41           HB1      ALA  41   1.258   2.628  -4.111
  322    HB2  ALA  41           HB2      ALA  41   1.833   1.167  -3.304
  323    HB3  ALA  41           HB3      ALA  41   1.557   1.163  -5.050
  324    H    LEU  42           HN       LEU  42   4.820   0.799  -3.034
  325    HA   LEU  42           HA       LEU  42   4.753   2.311  -0.626
  326    HB2  LEU  42           HB2      LEU  42   6.639   0.116  -1.528
  327    HB3  LEU  42           HB1      LEU  42   6.537   0.728   0.086
  328    HG   LEU  42           HG       LEU  42   4.841  -1.226  -1.286
  329   HD11  LEU  42          HD11      LEU  42   4.721  -2.193   0.902
  330   HD12  LEU  42          HD12      LEU  42   5.437  -0.745   1.607
  331   HD13  LEU  42          HD13      LEU  42   6.393  -1.771   0.536
  332   HD21  LEU  42          HD21      LEU  42   3.144   0.383  -1.060
  333   HD22  LEU  42          HD22      LEU  42   3.709   0.833   0.546
  334   HD23  LEU  42          HD23      LEU  42   2.968  -0.739   0.287
  335    H    VAL  43           HN       VAL  43   7.494   1.434  -2.703
  336    HA   VAL  43           HA       VAL  43   9.362   3.207  -1.847
  337    HB   VAL  43           HB       VAL  43   9.451   1.300  -3.588
  338   HG11  VAL  43          HG11      VAL  43   8.025   3.111  -5.083
  339   HG12  VAL  43          HG12      VAL  43   8.831   1.659  -5.674
  340   HG13  VAL  43          HG13      VAL  43   9.657   3.218  -5.740
  341   HG21  VAL  43          HG21      VAL  43  11.545   2.131  -4.461
  342   HG22  VAL  43          HG22      VAL  43  11.373   2.503  -2.745
  343   HG23  VAL  43          HG23      VAL  43  11.127   3.768  -3.949
  344    H    ARG  44           HN       ARG  44   6.456   3.977  -3.390
  345    HA   ARG  44           HA       ARG  44   7.344   6.425  -4.616
  346    HB2  ARG  44           HB2      ARG  44   5.590   5.308  -5.726
  347    HB3  ARG  44           HB1      ARG  44   4.664   5.164  -4.246
  348    HG2  ARG  44           HG2      ARG  44   4.504   7.670  -4.223
  349    HG3  ARG  44           HG1      ARG  44   5.184   7.645  -5.845
  350    HD2  ARG  44           HD2      ARG  44   2.690   6.161  -5.041
  351    HD3  ARG  44           HD1      ARG  44   2.689   7.769  -5.763
  352    HE   ARG  44           HE       ARG  44   4.094   5.738  -7.270
  353   HH11  ARG  44          HH11      ARG  44   1.084   7.413  -6.735
  354   HH12  ARG  44          HH12      ARG  44   0.452   7.047  -8.305
  355   HH21  ARG  44          HH21      ARG  44   3.266   5.252  -9.341
  356   HH22  ARG  44          HH22      ARG  44   1.691   5.819  -9.784
  357    H    VAL  45           HN       VAL  45   5.063   5.687  -1.951
  358    HA   VAL  45           HA       VAL  45   4.882   8.448  -1.248
  359    HB   VAL  45           HB       VAL  45   3.283   7.886   0.321
  360   HG11  VAL  45          HG11      VAL  45   2.665   7.306  -1.990
  361   HG12  VAL  45          HG12      VAL  45   1.818   6.323  -0.785
  362   HG13  VAL  45          HG13      VAL  45   3.183   5.643  -1.681
  363   HG21  VAL  45          HG21      VAL  45   4.604   5.195   0.491
  364   HG22  VAL  45          HG22      VAL  45   2.974   5.490   1.106
  365   HG23  VAL  45          HG23      VAL  45   4.349   6.379   1.776
  366    H    CYS  46           HN       CYS  46   6.524   5.701   0.369
  367    HA   CYS  46           HA       CYS  46   7.632   7.642   2.269
  368    HB2  CYS  46           HB2      CYS  46   7.999   5.913   3.756
  369    HB3  CYS  46           HB1      CYS  46   6.586   5.306   2.899
  370    H    GLY  47           HN       GLY  47   8.504   5.713  -0.456
  371    HA2  GLY  47           HA2      GLY  47  10.512   5.344  -1.525
  372    HA3  GLY  47           HA1      GLY  47  10.879   6.982  -1.007
  373    H    GLY  48           HN       GLY  48  10.894   3.624   0.166
  374    HA2  GLY  48           HA2      GLY  48  12.912   4.282   2.154
  375    HA3  GLY  48           HA1      GLY  48  12.145   2.718   1.925
  376    HA   PRO  49           HA       PRO  49  16.355   2.806  -0.193
  377    HB2  PRO  49           HB2      PRO  49  17.852   1.950   2.070
  378    HB3  PRO  49           HB1      PRO  49  17.901   3.528   1.284
  379    HG2  PRO  49           HG2      PRO  49  16.956   3.049   3.851
  380    HG3  PRO  49           HG1      PRO  49  16.589   4.482   2.877
  381    HD2  PRO  49           HD2      PRO  49  14.950   2.022   3.325
  382    HD3  PRO  49           HD1      PRO  49  14.427   3.715   3.198
  383    H    LYS  50           HN       LYS  50  14.839   0.570   2.013
  384    HA   LYS  50           HA       LYS  50  16.374  -1.719   1.582
  385    HB2  LYS  50           HB2      LYS  50  13.452  -1.361   2.219
  386    HB3  LYS  50           HB1      LYS  50  14.181  -2.952   2.069
  387    HG2  LYS  50           HG2      LYS  50  14.142  -2.433   4.371
  388    HG3  LYS  50           HG1      LYS  50  15.817  -2.261   3.845
  389    HD2  LYS  50           HD2      LYS  50  15.236  -0.422   5.297
  390    HD3  LYS  50           HD1      LYS  50  15.467   0.180   3.655
  391    HE2  LYS  50           HE2      LYS  50  13.522   1.228   4.594
  392    HE3  LYS  50           HE1      LYS  50  13.007   0.106   3.337
  393    HZ1  LYS  50           HZ       LYS  50  12.631  -0.212   6.220
  394    H    TRP  51           HN       TRP  51  13.115  -1.502   0.237
  395    HA   TRP  51           HA       TRP  51  13.434  -3.313  -1.808
  396    HB2  TRP  51           HB2      TRP  51  11.589  -1.689  -2.919
  397    HB3  TRP  51           HB1      TRP  51  11.225  -2.802  -1.604
  398    HD1  TRP  51           HD1      TRP  51  12.617   0.834  -1.728
  399    HE1  TRP  51           HE1      TRP  51  11.359   2.208   0.042
  400    HE3  TRP  51           HE3      TRP  51   9.505  -2.795   0.064
  401    HZ2  TRP  51           HZ2      TRP  51   9.328   1.809   1.950
  402    HZ3  TRP  51           HZ3      TRP  51   7.929  -2.219   1.866
  403    HH2  TRP  51           HH2      TRP  51   7.826   0.048   2.789
  Start of MODEL    2
    1    H1   ALA 106           HT1      ALA 106  -4.367  -2.940  16.012
    2    H2   ALA 106           HT2      ALA 106  -4.339  -4.589  15.636
    3    H3   ALA 106           HT3      ALA 106  -4.979  -3.481  14.530
    4    HA   ALA 106           HA       ALA 106  -2.837  -2.476  14.203
    5    HB1  ALA 106           HB1      ALA 106  -0.846  -3.406  15.243
    6    HB2  ALA 106           HB2      ALA 106  -1.831  -4.580  16.116
    7    HB3  ALA 106           HB3      ALA 106  -1.989  -2.860  16.470
    8    H    ALA 107           HN       ALA 107  -4.635  -4.842  13.405
    9    HA   ALA 107           HA       ALA 107  -2.809  -5.869  11.381
   10    HB1  ALA 107           HB1      ALA 107  -4.393  -7.719  13.162
   11    HB2  ALA 107           HB2      ALA 107  -2.645  -7.489  13.215
   12    HB3  ALA 107           HB3      ALA 107  -3.398  -8.194  11.784
   13    H    ALA 108           HN       ALA 108  -3.919  -6.905   9.594
   14    HA   ALA 108           HA       ALA 108  -6.783  -6.841   9.448
   15    HB1  ALA 108           HB1      ALA 108  -5.224  -4.805   7.859
   16    HB2  ALA 108           HB2      ALA 108  -6.359  -4.470   9.168
   17    HB3  ALA 108           HB3      ALA 108  -6.938  -5.167   7.655
   18    H    THR 109           HN       THR 109  -6.191  -9.052   8.956
   19    HA   THR 109           HA       THR 109  -5.609 -10.810   7.632
   20    HB   THR 109           HB       THR 109  -6.792 -10.877   5.570
   21    HG1  THR 109           HG1      THR 109  -6.017  -8.438   5.235
   22   HG21  THR 109          HG21      THR 109  -8.168 -10.826   7.609
   23   HG22  THR 109          HG22      THR 109  -9.009 -10.126   6.227
   24   HG23  THR 109          HG23      THR 109  -8.305  -9.076   7.455
   25    H    ASN 110           HN       ASN 110  -3.375  -9.303   7.961
   26    HA   ASN 110           HA       ASN 110  -1.281  -9.026   7.143
   27    HB2  ASN 110           HB2      ASN 110  -1.696 -11.284   6.158
   28    HB3  ASN 110           HB1      ASN 110  -2.260 -10.498   4.691
   29   HD21  ASN 110          HD21      ASN 110  -0.772  -9.356   3.408
   30   HD22  ASN 110          HD22      ASN 110   0.925  -9.662   3.516
   31    HA   PRO 111           HA       PRO 111  -1.480  -5.160   5.015
   32    HB2  PRO 111           HB2      PRO 111   1.253  -5.831   4.044
   33    HB3  PRO 111           HB1      PRO 111   0.684  -4.403   4.903
   34    HG2  PRO 111           HG2      PRO 111   2.104  -6.238   6.178
   35    HG3  PRO 111           HG1      PRO 111   0.699  -5.493   6.971
   36    HD2  PRO 111           HD2      PRO 111   0.918  -8.173   5.639
   37    HD3  PRO 111           HD1      PRO 111   0.133  -7.743   7.173
   38    H    ALA 112           HN       ALA 112   0.865  -6.459   2.830
   39    HA   ALA 112           HA       ALA 112  -0.303  -5.670   0.501
   40    HB1  ALA 112           HB1      ALA 112   1.474  -8.058   0.945
   41    HB2  ALA 112           HB2      ALA 112   1.972  -6.404   0.582
   42    HB3  ALA 112           HB3      ALA 112   1.111  -7.352  -0.631
   43    H    ARG 113           HN       ARG 113  -0.829  -8.775   2.143
   44    HA   ARG 113           HA       ARG 113  -2.316 -10.027   0.141
   45    HB2  ARG 113           HB2      ARG 113  -1.482 -11.072   2.285
   46    HB3  ARG 113           HB1      ARG 113  -2.836 -10.302   3.102
   47    HG2  ARG 113           HG2      ARG 113  -4.404 -11.543   1.727
   48    HG3  ARG 113           HG1      ARG 113  -3.067 -12.280   0.843
   49    HD2  ARG 113           HD2      ARG 113  -2.269 -13.250   2.994
   50    HD3  ARG 113           HD1      ARG 113  -3.727 -12.625   3.765
   51    HE   ARG 113           HE       ARG 113  -4.344 -14.227   1.495
   52   HH11  ARG 113          HH11      ARG 113  -3.405 -14.384   4.848
   53   HH12  ARG 113          HH12      ARG 113  -4.103 -15.949   5.102
   54   HH21  ARG 113          HH21      ARG 113  -5.266 -16.286   1.822
   55   HH22  ARG 113          HH22      ARG 113  -5.161 -17.030   3.383
   56    H    TYR 114           HN       TYR 114  -3.251  -7.691   2.597
   57    HA   TYR 114           HA       TYR 114  -6.056  -7.812   1.913
   58    HB2  TYR 114           HB2      TYR 114  -5.795  -7.195   4.133
   59    HB3  TYR 114           HB1      TYR 114  -4.398  -6.176   3.800
   60    HD1  TYR 114           HD1      TYR 114  -8.064  -6.421   3.463
   61    HD2  TYR 114           HD2      TYR 114  -4.678  -3.842   3.461
   62    HE1  TYR 114           HE1      TYR 114  -9.552  -4.481   3.474
   63    HE2  TYR 114           HE2      TYR 114  -6.171  -1.889   3.468
   64    HH   TYR 114           HH       TYR 114  -9.487  -2.103   4.126
   65    H    CYS 115           HN       CYS 115  -3.353  -5.641   1.294
   66    HA   CYS 115           HA       CYS 115  -4.879  -3.655  -0.044
   67    HB2  CYS 115           HB2      CYS 115  -1.921  -4.237   0.039
   68    HB3  CYS 115           HB1      CYS 115  -2.607  -2.842  -0.785
   69    H    CYS 116           HN       CYS 116  -3.971  -6.739  -0.999
   70    HA   CYS 116           HA       CYS 116  -3.919  -5.990  -3.840
   71    HB2  CYS 116           HB2      CYS 116  -2.042  -7.374  -3.111
   72    HB3  CYS 116           HB1      CYS 116  -3.152  -8.592  -2.491
   73    H    LEU 117           HN       LEU 117  -5.622  -7.957  -1.472
   74    HA   LEU 117           HA       LEU 117  -7.454  -8.996  -3.463
   75    HB2  LEU 117           HB2      LEU 117  -7.214  -9.359  -0.501
   76    HB3  LEU 117           HB1      LEU 117  -8.552 -10.022  -1.417
   77    HG   LEU 117           HG       LEU 117  -5.662 -10.679  -1.981
   78   HD11  LEU 117          HD11      LEU 117  -6.253 -11.423   0.266
   79   HD12  LEU 117          HD12      LEU 117  -6.070 -12.793  -0.831
   80   HD13  LEU 117          HD13      LEU 117  -7.681 -12.237  -0.373
   81   HD21  LEU 117          HD21      LEU 117  -6.590 -12.517  -3.264
   82   HD22  LEU 117          HD22      LEU 117  -7.236 -10.984  -3.848
   83   HD23  LEU 117          HD23      LEU 117  -8.225 -12.025  -2.826
   84    H    SER 118           HN       SER 118  -7.231  -6.300  -1.399
   85    HA   SER 118           HA       SER 118 -10.072  -5.694  -1.883
   86    HB2  SER 118           HB2      SER 118  -9.764  -6.119   0.492
   87    HB3  SER 118           HB1      SER 118  -8.423  -4.975   0.551
   88    HG   SER 118           HG       SER 118  -9.848  -3.309   0.167
   89    H    GLY 119           HN       GLY 119  -7.183  -3.924  -0.751
   90    HA2  GLY 119           HA2      GLY 119  -6.334  -2.431  -2.722
   91    HA3  GLY 119           HA1      GLY 119  -7.937  -1.737  -2.549
   92    H    CYS 120           HN       CYS 120  -5.386  -0.405  -2.217
   93    HA   CYS 120           HA       CYS 120  -5.916   0.762   0.382
   94    HB2  CYS 120           HB2      CYS 120  -3.243  -0.477  -0.304
   95    HB3  CYS 120           HB1      CYS 120  -3.483   0.653   1.024
   96    H    THR 121           HN       THR 121  -5.600   2.891   0.390
   97    HA   THR 121           HA       THR 121  -4.748   4.173  -2.053
   98    HB   THR 121           HB       THR 121  -5.675   6.137  -1.228
   99    HG1  THR 121           HG1      THR 121  -5.255   6.780   0.744
  100   HG21  THR 121          HG21      THR 121  -7.407   4.408  -1.410
  101   HG22  THR 121          HG22      THR 121  -7.786   5.561  -0.131
  102   HG23  THR 121          HG23      THR 121  -7.146   3.971   0.278
  103    H    GLN 122           HN       GLN 122  -3.518   6.435  -1.396
  104    HA   GLN 122           HA       GLN 122  -0.848   5.682  -0.957
  105    HB2  GLN 122           HB2      GLN 122  -1.429   7.711  -2.175
  106    HB3  GLN 122           HB1      GLN 122  -2.168   8.399  -0.741
  107    HG2  GLN 122           HG2      GLN 122   0.124   8.211   0.343
  108    HG3  GLN 122           HG1      GLN 122   0.740   7.911  -1.282
  109   HE21  GLN 122          HE21      GLN 122   1.116  10.146   0.657
  110   HE22  GLN 122          HE22      GLN 122   0.728  11.575  -0.236
  111    H    GLN 123           HN       GLN 123  -3.352   6.818   1.190
  112    HA   GLN 123           HA       GLN 123  -1.617   7.248   3.427
  113    HB2  GLN 123           HB2      GLN 123  -4.620   6.880   3.339
  114    HB3  GLN 123           HB1      GLN 123  -3.702   7.453   4.724
  115    HG2  GLN 123           HG2      GLN 123  -2.912   9.348   3.254
  116    HG3  GLN 123           HG1      GLN 123  -4.133   8.828   2.092
  117   HE21  GLN 123          HE21      GLN 123  -3.548  10.254   5.199
  118   HE22  GLN 123          HE22      GLN 123  -5.152  10.838   5.464
  119    H    ASP 124           HN       ASP 124  -3.925   4.676   2.541
  120    HA   ASP 124           HA       ASP 124  -3.485   3.051   4.778
  121    HB2  ASP 124           HB2      ASP 124  -4.264   2.262   1.962
  122    HB3  ASP 124           HB1      ASP 124  -4.358   1.198   3.362
  123    H    LEU 125           HN       LEU 125  -1.486   3.807   2.141
  124    HA   LEU 125           HA       LEU 125   0.209   1.496   2.377
  125    HB2  LEU 125           HB2      LEU 125  -0.030   2.101   0.186
  126    HB3  LEU 125           HB1      LEU 125  -0.360   3.760   0.588
  127    HG   LEU 125           HG       LEU 125   1.953   4.185   0.912
  128   HD11  LEU 125          HD11      LEU 125   3.516   2.325   0.001
  129   HD12  LEU 125          HD12      LEU 125   2.167   1.268   0.406
  130   HD13  LEU 125          HD13      LEU 125   2.941   2.224   1.664
  131   HD21  LEU 125          HD21      LEU 125   1.025   4.532  -1.267
  132   HD22  LEU 125          HD22      LEU 125   1.274   2.840  -1.650
  133   HD23  LEU 125          HD23      LEU 125   2.658   3.892  -1.433
  134    H    LEU 126           HN       LEU 126   0.094   4.931   2.825
  135    HA   LEU 126           HA       LEU 126   2.590   5.654   3.598
  136    HB2  LEU 126           HB2      LEU 126   1.523   7.575   3.978
  137    HB3  LEU 126           HB1      LEU 126   0.020   6.728   3.714
  138    HG   LEU 126           HG       LEU 126   0.177   6.155   6.250
  139   HD11  LEU 126          HD11      LEU 126   1.715   8.720   6.327
  140   HD12  LEU 126          HD12      LEU 126   2.544   7.164   6.283
  141   HD13  LEU 126          HD13      LEU 126   1.443   7.540   7.612
  142   HD21  LEU 126          HD21      LEU 126  -0.516   8.853   5.118
  143   HD22  LEU 126          HD22      LEU 126  -0.886   8.375   6.775
  144   HD23  LEU 126          HD23      LEU 126  -1.593   7.490   5.424
  145    H    THR 127           HN       THR 127   0.222   3.902   5.496
  146    HA   THR 127           HA       THR 127   1.700   4.090   7.940
  147    HB   THR 127           HB       THR 127  -0.641   3.922   8.159
  148    HG1  THR 127           HG1      THR 127   0.103   1.283   8.817
  149   HG21  THR 127          HG21      THR 127  -1.953   2.093   7.281
  150   HG22  THR 127          HG22      THR 127  -0.500   1.312   6.658
  151   HG23  THR 127          HG23      THR 127  -1.038   2.845   5.975
  152    H    LEU 128           HN       LEU 128   1.641   1.822   5.281
  153    HA   LEU 128           HA       LEU 128   3.027  -0.191   6.848
  154    HB2  LEU 128           HB2      LEU 128   2.124  -0.170   3.964
  155    HB3  LEU 128           HB1      LEU 128   3.108  -1.442   4.651
  156    HG   LEU 128           HG       LEU 128   0.555  -0.722   6.025
  157   HD11  LEU 128          HD11      LEU 128   0.779  -1.772   3.335
  158   HD12  LEU 128          HD12      LEU 128  -0.656  -1.241   4.216
  159   HD13  LEU 128          HD13      LEU 128  -0.050  -2.885   4.416
  160   HD21  LEU 128          HD21      LEU 128   2.204  -2.259   7.023
  161   HD22  LEU 128          HD22      LEU 128   2.041  -3.293   5.600
  162   HD23  LEU 128          HD23      LEU 128   0.660  -3.045   6.674
  163    H    CYS 129           HN       CYS 129   3.871   2.533   5.082
  164    HA   CYS 129           HA       CYS 129   6.149   2.077   3.755
  165    HB2  CYS 129           HB2      CYS 129   5.711   4.266   5.789
  166    HB3  CYS 129           HB1      CYS 129   6.984   4.270   4.571
  167    HA   PRO 130           HA       PRO 130   8.905   1.598   7.603
  168    HB2  PRO 130           HB2      PRO 130   7.942   1.747  10.076
  169    HB3  PRO 130           HB1      PRO 130   8.191   3.208   9.110
  170    HG2  PRO 130           HG2      PRO 130   5.659   1.720   9.680
  171    HG3  PRO 130           HG1      PRO 130   5.944   3.469   9.633
  172    HD2  PRO 130           HD2      PRO 130   4.862   1.972   7.556
  173    HD3  PRO 130           HD1      PRO 130   5.619   3.565   7.380
  174    H    TYR 131           HN       TYR 131   7.138  -0.511   6.440
  175    HA   TYR 131           HA       TYR 131   7.052  -2.431   8.649
  176    HB2  TYR 131           HB2      TYR 131   5.425  -3.569   7.549
  177    HB3  TYR 131           HB1      TYR 131   5.188  -2.024   6.755
  178    HD1  TYR 131           HD2      TYR 131   6.806  -5.348   6.375
  179    HD2  TYR 131           HD1      TYR 131   5.408  -1.842   4.412
  180    HE1  TYR 131           HE2      TYR 131   7.130  -6.444   4.199
  181    HE2  TYR 131           HE1      TYR 131   5.725  -2.931   2.231
  182    HH   TYR 131           HH       TYR 131   7.095  -4.774   1.273
  183    H    GLY 132           HN       GLY 132   8.481  -1.976   5.461
  184    HA2  GLY 132           HA2      GLY 132  10.382  -4.148   6.103
  185    HA3  GLY 132           HA1      GLY 132   9.855  -3.772   4.470
  186    H2   PRO  25           HT1      PRO  25 -13.232  14.882   0.211
  187    H3   PRO  25           HT2      PRO  25 -11.930  14.572   1.144
  188    HA   PRO  25           HA       PRO  25 -12.579  12.629   1.756
  189    HB2  PRO  25           HB2      PRO  25 -15.429  12.627   1.618
  190    HB3  PRO  25           HB1      PRO  25 -14.404  12.522   3.056
  191    HG2  PRO  25           HG2      PRO  25 -15.703  14.884   1.834
  192    HG3  PRO  25           HG1      PRO  25 -15.248  14.595   3.523
  193    HD2  PRO  25           HD2      PRO  25 -13.869  16.316   2.013
  194    HD3  PRO  25           HD1      PRO  25 -13.040  15.262   3.173
  195    H    THR  26           HN       THR  26 -12.447  13.896  -0.950
  196    HA   THR  26           HA       THR  26 -14.279  12.640  -2.691
  197    HB   THR  26           HB       THR  26 -12.680  13.179  -4.486
  198    HG1  THR  26           HG1      THR  26 -10.645  13.149  -3.899
  199   HG21  THR  26          HG21      THR  26 -14.178  14.932  -3.651
  200   HG22  THR  26          HG22      THR  26 -12.634  15.605  -4.173
  201   HG23  THR  26          HG23      THR  26 -12.969  15.396  -2.454
  202    HA   PRO  27           HA       PRO  27 -13.221   8.382  -3.135
  203    HB2  PRO  27           HB2      PRO  27 -12.546   9.049  -5.967
  204    HB3  PRO  27           HB1      PRO  27 -13.554   7.750  -5.324
  205    HG2  PRO  27           HG2      PRO  27 -14.598   9.986  -6.410
  206    HG3  PRO  27           HG1      PRO  27 -15.392   9.093  -5.106
  207    HD2  PRO  27           HD2      PRO  27 -14.080  11.717  -5.041
  208    HD3  PRO  27           HD1      PRO  27 -15.236  11.000  -3.905
  209    H    GLU  28           HN       GLU  28 -11.364   7.783  -2.167
  210    HA   GLU  28           HA       GLU  28  -8.842   8.924  -2.894
  211    HB2  GLU  28           HB2      GLU  28  -9.309   6.566  -1.083
  212    HB3  GLU  28           HB1      GLU  28  -7.915   7.632  -1.109
  213    HG2  GLU  28           HG2      GLU  28  -9.051   8.379   0.734
  214    HG3  GLU  28           HG1      GLU  28  -9.627   9.480  -0.516
  215    H    MET  29           HN       MET  29 -10.694   6.382  -3.949
  216    HA   MET  29           HA       MET  29 -10.316   4.469  -5.177
  217    HB2  MET  29           HB2      MET  29 -10.164   6.267  -6.833
  218    HB3  MET  29           HB1      MET  29  -8.442   6.425  -6.518
  219    HG2  MET  29           HG2      MET  29  -8.067   4.171  -7.356
  220    HG3  MET  29           HG1      MET  29  -9.796   3.987  -7.650
  221    HE1  MET  29           HE1      MET  29  -8.270   4.242 -11.264
  222    HE2  MET  29           HE2      MET  29  -9.184   3.242 -10.136
  223    HE3  MET  29           HE3      MET  29  -7.464   3.526  -9.869
  224    H    ARG  30           HN       ARG  30  -9.340   3.099  -3.639
  225    HA   ARG  30           HA       ARG  30  -6.459   3.127  -3.366
  226    HB2  ARG  30           HB2      ARG  30  -7.424   0.794  -2.156
  227    HB3  ARG  30           HB1      ARG  30  -6.970   2.292  -1.371
  228    HG2  ARG  30           HG2      ARG  30  -9.296   3.078  -1.639
  229    HG3  ARG  30           HG1      ARG  30  -9.709   1.490  -2.288
  230    HD2  ARG  30           HD2      ARG  30  -8.235   1.377   0.215
  231    HD3  ARG  30           HD1      ARG  30  -9.784   2.207   0.358
  232    HE   ARG  30           HE       ARG  30  -9.804  -0.376  -0.979
  233   HH11  ARG  30          HH11      ARG  30 -10.347   1.438   1.947
  234   HH12  ARG  30          HH12      ARG  30 -11.343   0.222   2.671
  235   HH21  ARG  30          HH21      ARG  30 -11.117  -1.986  -0.030
  236   HH22  ARG  30          HH22      ARG  30 -11.778  -1.726   1.550
  237    H    GLU  31           HN       GLU  31  -5.041   1.861  -4.370
  238    HA   GLU  31           HA       GLU  31  -5.972   0.196  -6.539
  239    HB2  GLU  31           HB2      GLU  31  -3.110   0.548  -5.691
  240    HB3  GLU  31           HB1      GLU  31  -3.735   0.151  -7.285
  241    HG2  GLU  31           HG2      GLU  31  -4.666   2.388  -7.495
  242    HG3  GLU  31           HG1      GLU  31  -4.076   2.792  -5.882
  243    H    LYS  32           HN       LYS  32  -5.499  -2.009  -6.818
  244    HA   LYS  32           HA       LYS  32  -5.478  -3.539  -4.392
  245    HB2  LYS  32           HB2      LYS  32  -5.757  -4.127  -7.290
  246    HB3  LYS  32           HB1      LYS  32  -5.510  -5.428  -6.143
  247    HG2  LYS  32           HG2      LYS  32  -7.478  -4.334  -4.859
  248    HG3  LYS  32           HG1      LYS  32  -7.824  -3.572  -6.414
  249    HD2  LYS  32           HD2      LYS  32  -7.693  -5.906  -7.395
  250    HD3  LYS  32           HD1      LYS  32  -7.753  -6.494  -5.737
  251    HE2  LYS  32           HE2      LYS  32  -9.877  -5.314  -5.403
  252    HE3  LYS  32           HE1      LYS  32  -9.821  -4.751  -7.073
  253    HZ1  LYS  32           HZ1      LYS  32  -9.905  -7.055  -7.809
  254    HZ2  LYS  32           HZ2      LYS  32 -11.246  -6.682  -6.847
  255    HZ3  LYS  32           HZ3      LYS  32  -9.971  -7.587  -6.203
  256    H    LEU  33           HN       LEU  33  -3.252  -2.287  -4.294
  257    HA   LEU  33           HA       LEU  33  -0.945  -3.085  -5.542
  258    HB2  LEU  33           HB2      LEU  33  -1.160  -2.490  -2.597
  259    HB3  LEU  33           HB1      LEU  33   0.217  -2.213  -3.646
  260    HG   LEU  33           HG       LEU  33  -2.418  -0.763  -3.861
  261   HD11  LEU  33          HD11      LEU  33   0.203   0.262  -2.803
  262   HD12  LEU  33          HD12      LEU  33  -1.162  -0.220  -1.799
  263   HD13  LEU  33          HD13      LEU  33  -1.322   1.143  -2.907
  264   HD21  LEU  33          HD21      LEU  33  -1.152  -1.007  -5.969
  265   HD22  LEU  33          HD22      LEU  33   0.188  -0.184  -5.193
  266   HD23  LEU  33          HD23      LEU  33  -1.328   0.663  -5.434
  267    H    CYS  34           HN       CYS  34   0.127  -4.941  -5.681
  268    HA   CYS  34           HA       CYS  34  -0.392  -7.011  -3.650
  269    HB2  CYS  34           HB2      CYS  34  -0.925  -7.162  -6.339
  270    HB3  CYS  34           HB1      CYS  34   0.650  -7.941  -6.228
  271    H    GLY  35           HN       GLY  35   1.604  -8.802  -4.594
  272    HA2  GLY  35           HA2      GLY  35   3.766  -8.151  -3.023
  273    HA3  GLY  35           HA1      GLY  35   3.832  -9.291  -4.352
  274    H    HIS  36           HN       HIS  36   3.138  -7.033  -6.262
  275    HA   HIS  36           HA       HIS  36   5.847  -5.877  -6.350
  276    HB2  HIS  36           HB2      HIS  36   5.397  -7.394  -8.205
  277    HB3  HIS  36           HB1      HIS  36   3.956  -6.477  -8.619
  278    HD1  HIS  36           HD1      HIS  36   4.550  -5.439 -10.832
  279    HD2  HIS  36           HD2      HIS  36   7.568  -5.027  -8.008
  280    HE1  HIS  36           HE1      HIS  36   6.316  -3.970 -11.889
  281    H    HIS  37           HN       HIS  37   2.526  -5.118  -7.447
  282    HA   HIS  37           HA       HIS  37   2.950  -2.395  -7.899
  283    HB2  HIS  37           HB2      HIS  37   0.376  -3.679  -6.950
  284    HB3  HIS  37           HB1      HIS  37   0.532  -2.136  -7.777
  285    HD1  HIS  37           HD1      HIS  37   0.323  -5.786  -8.412
  286    HD2  HIS  37           HD2      HIS  37   1.192  -2.314 -10.524
  287    HE1  HIS  37           HE1      HIS  37   0.221  -6.401 -10.863
  288    H    PHE  38           HN       PHE  38   2.475  -4.111  -4.877
  289    HA   PHE  38           HA       PHE  38   1.959  -1.674  -3.440
  290    HB2  PHE  38           HB2      PHE  38   1.330  -4.156  -2.749
  291    HB3  PHE  38           HB1      PHE  38   2.920  -4.108  -2.003
  292    HD1  PHE  38           HD1      PHE  38   1.772  -0.821  -1.904
  293    HD2  PHE  38           HD2      PHE  38   1.102  -4.603  -0.064
  294    HE1  PHE  38           HE1      PHE  38   0.769   0.290   0.023
  295    HE2  PHE  38           HE2      PHE  38   0.111  -3.487   1.864
  296    HZ   PHE  38           HZ       PHE  38  -0.064  -1.030   1.908
  297    H    VAL  39           HN       VAL  39   4.698  -3.887  -3.853
  298    HA   VAL  39           HA       VAL  39   6.555  -2.500  -2.277
  299    HB   VAL  39           HB       VAL  39   6.813  -4.295  -4.685
  300   HG11  VAL  39          HG11      VAL  39   9.261  -4.305  -4.361
  301   HG12  VAL  39          HG12      VAL  39   9.092  -2.938  -3.257
  302   HG13  VAL  39          HG13      VAL  39   8.643  -2.765  -4.955
  303   HG21  VAL  39          HG21      VAL  39   7.848  -5.811  -3.080
  304   HG22  VAL  39          HG22      VAL  39   6.250  -5.302  -2.534
  305   HG23  VAL  39          HG23      VAL  39   7.695  -4.590  -1.818
  306    H    ARG  40           HN       ARG  40   5.084  -1.824  -5.262
  307    HA   ARG  40           HA       ARG  40   6.972   0.142  -6.200
  308    HB2  ARG  40           HB2      ARG  40   4.316  -0.912  -7.050
  309    HB3  ARG  40           HB1      ARG  40   4.885   0.584  -7.753
  310    HG2  ARG  40           HG2      ARG  40   6.984  -0.664  -8.398
  311    HG3  ARG  40           HG1      ARG  40   6.133  -2.139  -7.933
  312    HD2  ARG  40           HD2      ARG  40   5.836  -1.906 -10.269
  313    HD3  ARG  40           HD1      ARG  40   4.307  -1.444  -9.524
  314    HE   ARG  40           HE       ARG  40   5.975   0.817  -9.945
  315   HH11  ARG  40          HH11      ARG  40   3.837  -1.402 -11.569
  316   HH12  ARG  40          HH12      ARG  40   3.419  -0.284 -12.824
  317   HH21  ARG  40          HH21      ARG  40   5.435   2.295 -11.596
  318   HH22  ARG  40          HH22      ARG  40   4.331   1.817 -12.842
  319    H    ALA  41           HN       ALA  41   3.540   0.277  -5.212
  320    HA   ALA  41           HA       ALA  41   3.288   3.015  -4.969
  321    HB1  ALA  41           HB1      ALA  41   1.334   2.624  -3.755
  322    HB2  ALA  41           HB2      ALA  41   1.983   1.173  -2.987
  323    HB3  ALA  41           HB3      ALA  41   1.521   1.141  -4.693
  324    H    LEU  42           HN       LEU  42   4.691   0.655  -2.852
  325    HA   LEU  42           HA       LEU  42   5.032   2.146  -0.526
  326    HB2  LEU  42           HB2      LEU  42   5.986  -0.329  -1.713
  327    HB3  LEU  42           HB1      LEU  42   7.231   0.445  -0.803
  328    HG   LEU  42           HG       LEU  42   6.278  -1.093   0.633
  329   HD11  LEU  42          HD11      LEU  42   5.418   0.210   2.421
  330   HD12  LEU  42          HD12      LEU  42   4.856   1.435   1.285
  331   HD13  LEU  42          HD13      LEU  42   6.584   1.215   1.550
  332   HD21  LEU  42          HD21      LEU  42   4.264  -1.525  -0.661
  333   HD22  LEU  42          HD22      LEU  42   3.614   0.001  -0.074
  334   HD23  LEU  42          HD23      LEU  42   3.923  -1.307   1.058
  335    H    VAL  43           HN       VAL  43   7.390   1.411  -3.097
  336    HA   VAL  43           HA       VAL  43   9.422   3.100  -2.302
  337    HB   VAL  43           HB       VAL  43   9.256   1.268  -4.175
  338   HG11  VAL  43          HG11      VAL  43   8.604   3.792  -5.622
  339   HG12  VAL  43          HG12      VAL  43   7.905   2.182  -5.792
  340   HG13  VAL  43          HG13      VAL  43   9.519   2.512  -6.416
  341   HG21  VAL  43          HG21      VAL  43  11.342   2.164  -5.167
  342   HG22  VAL  43          HG22      VAL  43  11.319   2.109  -3.407
  343   HG23  VAL  43          HG23      VAL  43  11.086   3.644  -4.240
  344    H    ARG  44           HN       ARG  44   6.389   3.948  -3.562
  345    HA   ARG  44           HA       ARG  44   7.196   6.418  -4.795
  346    HB2  ARG  44           HB2      ARG  44   5.293   5.275  -5.684
  347    HB3  ARG  44           HB1      ARG  44   4.506   5.289  -4.117
  348    HG2  ARG  44           HG2      ARG  44   4.451   7.772  -4.237
  349    HG3  ARG  44           HG1      ARG  44   5.060   7.649  -5.887
  350    HD2  ARG  44           HD2      ARG  44   3.115   6.347  -6.535
  351    HD3  ARG  44           HD1      ARG  44   2.514   6.389  -4.878
  352    HE   ARG  44           HE       ARG  44   2.872   9.021  -5.740
  353   HH11  ARG  44          HH11      ARG  44   0.868   6.258  -6.444
  354   HH12  ARG  44          HH12      ARG  44  -0.479   7.209  -6.976
  355   HH21  ARG  44          HH21      ARG  44   1.104  10.280  -6.437
  356   HH22  ARG  44          HH22      ARG  44  -0.346   9.495  -6.970
  357    H    VAL  45           HN       VAL  45   4.915   5.867  -2.109
  358    HA   VAL  45           HA       VAL  45   5.388   8.570  -1.162
  359    HB   VAL  45           HB       VAL  45   3.249   8.434  -0.568
  360   HG11  VAL  45          HG11      VAL  45   2.847   6.733  -2.181
  361   HG12  VAL  45          HG12      VAL  45   1.958   6.297  -0.713
  362   HG13  VAL  45          HG13      VAL  45   3.476   5.480  -1.105
  363   HG21  VAL  45          HG21      VAL  45   4.166   6.311   1.366
  364   HG22  VAL  45          HG22      VAL  45   2.554   7.027   1.373
  365   HG23  VAL  45          HG23      VAL  45   3.971   8.036   1.680
  366    H    CYS  46           HN       CYS  46   6.396   5.384  -0.348
  367    HA   CYS  46           HA       CYS  46   7.296   6.199   2.305
  368    HB2  CYS  46           HB2      CYS  46   7.577   3.470   1.054
  369    HB3  CYS  46           HB1      CYS  46   7.567   3.885   2.770
  370    H    GLY  47           HN       GLY  47   8.587   5.291  -0.841
  371    HA2  GLY  47           HA2      GLY  47  10.771   5.136  -1.603
  372    HA3  GLY  47           HA1      GLY  47  10.898   6.690  -0.796
  373    H    GLY  48           HN       GLY  48  10.489   3.473   0.618
  374    HA2  GLY  48           HA2      GLY  48  12.409   3.895   2.639
  375    HA3  GLY  48           HA1      GLY  48  11.714   2.346   2.194
  376    HA   PRO  49           HA       PRO  49  16.248   2.624   0.889
  377    HB2  PRO  49           HB2      PRO  49  16.939   0.823   3.056
  378    HB3  PRO  49           HB1      PRO  49  17.548   2.447   2.732
  379    HG2  PRO  49           HG2      PRO  49  15.962   1.847   4.862
  380    HG3  PRO  49           HG1      PRO  49  15.991   3.442   4.088
  381    HD2  PRO  49           HD2      PRO  49  14.021   1.208   3.752
  382    HD3  PRO  49           HD1      PRO  49  13.725   2.954   3.899
  383    H    LYS  50           HN       LYS  50  14.151   0.029   1.942
  384    HA   LYS  50           HA       LYS  50  15.603  -2.126   0.836
  385    HB2  LYS  50           HB2      LYS  50  12.656  -1.832   1.433
  386    HB3  LYS  50           HB1      LYS  50  13.404  -3.336   0.924
  387    HG2  LYS  50           HG2      LYS  50  13.195  -3.464   3.259
  388    HG3  LYS  50           HG1      LYS  50  14.898  -3.138   2.945
  389    HD2  LYS  50           HD2      LYS  50  14.052  -1.792   4.807
  390    HD3  LYS  50           HD1      LYS  50  14.557  -0.780   3.454
  391    HE2  LYS  50           HE2      LYS  50  12.425  -0.045   4.477
  392    HE3  LYS  50           HE1      LYS  50  12.269  -0.463   2.773
  393    HZ1  LYS  50           HZ       LYS  50  10.728  -2.009   3.395
  394    H    TRP  51           HN       TRP  51  12.423  -1.143  -0.343
  395    HA   TRP  51           HA       TRP  51  12.770  -2.119  -2.932
  396    HB2  TRP  51           HB2      TRP  51  10.855  -0.264  -3.328
  397    HB3  TRP  51           HB1      TRP  51  10.549  -1.807  -2.547
  398    HD1  TRP  51           HD1      TRP  51  11.392   1.844  -1.500
  399    HE1  TRP  51           HE1      TRP  51  10.253   2.271   0.767
  400    HE3  TRP  51           HE3      TRP  51   9.444  -2.784  -0.696
  401    HZ2  TRP  51           HZ2      TRP  51   8.742   0.836   2.656
  402    HZ3  TRP  51           HZ3      TRP  51   8.164  -3.194   1.377
  403    HH2  TRP  51           HH2      TRP  51   7.821  -1.409   3.016
  Start of MODEL    3
    1    H1   ALA 106           HT1      ALA 106  -7.827  -3.937  16.823
    2    H2   ALA 106           HT2      ALA 106  -7.951  -3.206  15.303
    3    H3   ALA 106           HT3      ALA 106  -8.187  -2.288  16.704
    4    HA   ALA 106           HA       ALA 106  -6.027  -1.841  15.754
    5    HB1  ALA 106           HB1      ALA 106  -5.847  -3.403  18.329
    6    HB2  ALA 106           HB2      ALA 106  -6.349  -1.718  18.189
    7    HB3  ALA 106           HB3      ALA 106  -4.705  -2.187  17.756
    8    H    ALA 107           HN       ALA 107  -6.849  -4.280  14.418
    9    HA   ALA 107           HA       ALA 107  -4.211  -5.408  13.996
   10    HB1  ALA 107           HB1      ALA 107  -4.938  -7.726  14.282
   11    HB2  ALA 107           HB2      ALA 107  -6.519  -7.165  14.823
   12    HB3  ALA 107           HB3      ALA 107  -5.085  -6.817  15.786
   13    H    ALA 108           HN       ALA 108  -3.997  -5.186  11.870
   14    HA   ALA 108           HA       ALA 108  -6.311  -5.373  10.119
   15    HB1  ALA 108           HB1      ALA 108  -4.726  -3.547   9.788
   16    HB2  ALA 108           HB2      ALA 108  -4.794  -4.592   8.369
   17    HB3  ALA 108           HB3      ALA 108  -3.436  -4.712   9.489
   18    H    THR 109           HN       THR 109  -6.273  -6.691   8.184
   19    HA   THR 109           HA       THR 109  -5.279  -9.354   8.745
   20    HB   THR 109           HB       THR 109  -6.566 -10.037   6.763
   21    HG1  THR 109           HG1      THR 109  -6.550  -8.358   5.373
   22   HG21  THR 109          HG21      THR 109  -8.100  -8.208   8.615
   23   HG22  THR 109          HG22      THR 109  -7.711  -9.902   8.918
   24   HG23  THR 109          HG23      THR 109  -8.802  -9.470   7.602
   25    H    ASN 110           HN       ASN 110  -3.014  -8.356   8.511
   26    HA   ASN 110           HA       ASN 110  -1.033  -8.303   7.410
   27    HB2  ASN 110           HB2      ASN 110  -2.587  -9.947   5.407
   28    HB3  ASN 110           HB1      ASN 110  -0.859  -9.636   5.278
   29   HD21  ASN 110          HD21      ASN 110  -0.286 -11.767   5.475
   30   HD22  ASN 110          HD22      ASN 110  -0.436 -12.647   6.956
   31    HA   PRO 111           HA       PRO 111  -1.218  -4.832   4.705
   32    HB2  PRO 111           HB2      PRO 111   1.174  -4.914   3.459
   33    HB3  PRO 111           HB1      PRO 111   0.995  -4.500   5.164
   34    HG2  PRO 111           HG2      PRO 111   1.853  -7.066   3.913
   35    HG3  PRO 111           HG1      PRO 111   2.456  -6.273   5.379
   36    HD2  PRO 111           HD2      PRO 111   0.692  -8.383   5.370
   37    HD3  PRO 111           HD1      PRO 111   0.831  -7.202   6.688
   38    H    ALA 112           HN       ALA 112   0.830  -6.712   2.583
   39    HA   ALA 112           HA       ALA 112  -0.495  -5.981   0.251
   40    HB1  ALA 112           HB1      ALA 112   1.254  -8.398   0.630
   41    HB2  ALA 112           HB2      ALA 112   1.839  -6.745   0.421
   42    HB3  ALA 112           HB3      ALA 112   0.934  -7.533  -0.875
   43    H    ARG 113           HN       ARG 113  -1.123  -8.648   2.416
   44    HA   ARG 113           HA       ARG 113  -2.638 -10.219   0.604
   45    HB2  ARG 113           HB2      ARG 113  -2.483 -10.062   3.605
   46    HB3  ARG 113           HB1      ARG 113  -3.624 -11.126   2.805
   47    HG2  ARG 113           HG2      ARG 113  -1.662 -12.364   3.412
   48    HG3  ARG 113           HG1      ARG 113  -1.746 -12.235   1.655
   49    HD2  ARG 113           HD2      ARG 113  -0.145 -10.353   1.759
   50    HD3  ARG 113           HD1      ARG 113  -0.022 -10.585   3.501
   51    HE   ARG 113           HE       ARG 113   0.570 -13.024   2.363
   52   HH11  ARG 113          HH11      ARG 113   1.856  -9.789   2.247
   53   HH12  ARG 113          HH12      ARG 113   3.483 -10.308   1.956
   54   HH21  ARG 113          HH21      ARG 113   2.709 -13.718   1.982
   55   HH22  ARG 113          HH22      ARG 113   3.968 -12.540   1.805
   56    H    TYR 114           HN       TYR 114  -3.231  -7.411   2.472
   57    HA   TYR 114           HA       TYR 114  -6.121  -7.510   2.048
   58    HB2  TYR 114           HB2      TYR 114  -5.929  -6.725   4.171
   59    HB3  TYR 114           HB1      TYR 114  -4.287  -6.157   3.922
   60    HD1  TYR 114           HD1      TYR 114  -7.781  -5.321   2.956
   61    HD2  TYR 114           HD2      TYR 114  -3.921  -3.862   4.032
   62    HE1  TYR 114           HE1      TYR 114  -8.651  -3.037   2.953
   63    HE2  TYR 114           HE2      TYR 114  -4.800  -1.567   4.032
   64    HH   TYR 114           HH       TYR 114  -8.117  -0.853   3.946
   65    H    CYS 115           HN       CYS 115  -3.256  -6.089   0.826
   66    HA   CYS 115           HA       CYS 115  -4.627  -3.915  -0.529
   67    HB2  CYS 115           HB2      CYS 115  -1.743  -4.755  -0.312
   68    HB3  CYS 115           HB1      CYS 115  -2.259  -3.467  -1.393
   69    H    CYS 116           HN       CYS 116  -3.884  -7.152  -1.147
   70    HA   CYS 116           HA       CYS 116  -3.759  -6.753  -4.042
   71    HB2  CYS 116           HB2      CYS 116  -2.120  -8.281  -3.069
   72    HB3  CYS 116           HB1      CYS 116  -3.410  -9.252  -2.371
   73    H    LEU 117           HN       LEU 117  -6.044  -7.363  -1.644
   74    HA   LEU 117           HA       LEU 117  -7.836  -8.752  -3.506
   75    HB2  LEU 117           HB2      LEU 117  -7.991  -8.410  -0.529
   76    HB3  LEU 117           HB1      LEU 117  -9.230  -9.184  -1.492
   77    HG   LEU 117           HG       LEU 117  -6.382 -10.155  -1.234
   78   HD11  LEU 117          HD11      LEU 117  -7.325 -11.951   0.118
   79   HD12  LEU 117          HD12      LEU 117  -8.920 -11.205   0.007
   80   HD13  LEU 117          HD13      LEU 117  -7.617 -10.377   0.860
   81   HD21  LEU 117          HD21      LEU 117  -8.804 -11.382  -2.550
   82   HD22  LEU 117          HD22      LEU 117  -7.248 -12.182  -2.327
   83   HD23  LEU 117          HD23      LEU 117  -7.369 -10.762  -3.367
   84    H    SER 118           HN       SER 118  -8.315  -6.391  -0.880
   85    HA   SER 118           HA       SER 118 -10.535  -5.251  -2.337
   86    HB2  SER 118           HB2      SER 118 -10.855  -3.851  -0.333
   87    HB3  SER 118           HB1      SER 118 -10.723  -5.559   0.086
   88    HG   SER 118           HG       SER 118  -9.200  -3.504   0.892
   89    H    GLY 119           HN       GLY 119  -7.482  -3.978  -0.985
   90    HA2  GLY 119           HA2      GLY 119  -6.233  -2.634  -2.770
   91    HA3  GLY 119           HA1      GLY 119  -7.728  -1.714  -2.852
   92    H    CYS 120           HN       CYS 120  -5.278  -0.502  -2.261
   93    HA   CYS 120           HA       CYS 120  -5.924   0.557   0.370
   94    HB2  CYS 120           HB2      CYS 120  -3.086  -0.270  -0.256
   95    HB3  CYS 120           HB1      CYS 120  -3.719   0.320   1.276
   96    H    THR 121           HN       THR 121  -5.705   2.671   0.481
   97    HA   THR 121           HA       THR 121  -4.934   4.141  -1.850
   98    HB   THR 121           HB       THR 121  -5.860   5.997  -0.855
   99    HG1  THR 121           HG1      THR 121  -5.930   5.772   1.710
  100   HG21  THR 121          HG21      THR 121  -7.537   4.164  -0.826
  101   HG22  THR 121          HG22      THR 121  -7.811   5.366   0.434
  102   HG23  THR 121          HG23      THR 121  -7.080   3.813   0.840
  103    H    GLN 122           HN       GLN 122  -3.634   6.300  -1.203
  104    HA   GLN 122           HA       GLN 122  -0.943   5.509  -0.910
  105    HB2  GLN 122           HB2      GLN 122  -1.552   7.521  -2.126
  106    HB3  GLN 122           HB1      GLN 122  -2.271   8.223  -0.690
  107    HG2  GLN 122           HG2      GLN 122   0.101   8.010   0.314
  108    HG3  GLN 122           HG1      GLN 122   0.609   7.852  -1.366
  109   HE21  GLN 122          HE21      GLN 122   1.055   9.968   0.673
  110   HE22  GLN 122          HE22      GLN 122   0.537  11.432  -0.084
  111    H    GLN 123           HN       GLN 123  -3.319   6.744   1.331
  112    HA   GLN 123           HA       GLN 123  -1.473   7.147   3.496
  113    HB2  GLN 123           HB2      GLN 123  -4.486   6.889   3.585
  114    HB3  GLN 123           HB1      GLN 123  -3.458   7.593   4.821
  115    HG2  GLN 123           HG2      GLN 123  -3.566   8.704   2.040
  116    HG3  GLN 123           HG1      GLN 123  -4.733   9.173   3.275
  117   HE21  GLN 123          HE21      GLN 123  -2.890   9.071   5.462
  118   HE22  GLN 123          HE22      GLN 123  -1.829  10.425   5.298
  119    H    ASP 124           HN       ASP 124  -3.554   4.572   2.395
  120    HA   ASP 124           HA       ASP 124  -3.368   2.994   4.787
  121    HB2  ASP 124           HB2      ASP 124  -4.272   2.305   1.980
  122    HB3  ASP 124           HB1      ASP 124  -4.338   1.179   3.332
  123    H    LEU 125           HN       LEU 125  -1.415   3.687   2.161
  124    HA   LEU 125           HA       LEU 125   0.203   1.303   2.307
  125    HB2  LEU 125           HB2      LEU 125   0.156   1.902   0.127
  126    HB3  LEU 125           HB1      LEU 125  -0.453   3.482   0.508
  127    HG   LEU 125           HG       LEU 125   1.773   4.259   0.938
  128   HD11  LEU 125          HD11      LEU 125   3.598   2.648  -0.031
  129   HD12  LEU 125          HD12      LEU 125   2.414   1.413   0.392
  130   HD13  LEU 125          HD13      LEU 125   3.068   2.469   1.641
  131   HD21  LEU 125          HD21      LEU 125   0.896   4.583  -1.240
  132   HD22  LEU 125          HD22      LEU 125   1.286   2.929  -1.675
  133   HD23  LEU 125          HD23      LEU 125   2.577   4.083  -1.415
  134    H    LEU 126           HN       LEU 126   0.251   4.745   2.759
  135    HA   LEU 126           HA       LEU 126   2.753   5.391   3.536
  136    HB2  LEU 126           HB2      LEU 126   1.701   7.323   3.941
  137    HB3  LEU 126           HB1      LEU 126   0.177   6.491   3.747
  138    HG   LEU 126           HG       LEU 126   0.451   5.894   6.257
  139   HD11  LEU 126          HD11      LEU 126   2.812   6.786   6.285
  140   HD12  LEU 126          HD12      LEU 126   1.750   7.330   7.584
  141   HD13  LEU 126          HD13      LEU 126   2.100   8.400   6.224
  142   HD21  LEU 126          HD21      LEU 126  -0.458   8.231   6.831
  143   HD22  LEU 126          HD22      LEU 126  -1.355   7.210   5.710
  144   HD23  LEU 126          HD23      LEU 126  -0.349   8.523   5.093
  145    H    THR 127           HN       THR 127   0.249   3.994   5.609
  146    HA   THR 127           HA       THR 127   1.570   4.056   8.025
  147    HB   THR 127           HB       THR 127  -0.745   3.514   7.926
  148    HG1  THR 127           HG1      THR 127  -0.333   2.451   9.712
  149   HG21  THR 127          HG21      THR 127  -0.670   2.304   5.782
  150   HG22  THR 127          HG22      THR 127  -1.577   1.428   7.017
  151   HG23  THR 127          HG23      THR 127   0.062   0.929   6.602
  152    H    LEU 128           HN       LEU 128   1.686   1.453   5.579
  153    HA   LEU 128           HA       LEU 128   3.345  -0.235   7.069
  154    HB2  LEU 128           HB2      LEU 128   2.629  -0.013   4.191
  155    HB3  LEU 128           HB1      LEU 128   4.093  -0.901   4.590
  156    HG   LEU 128           HG       LEU 128   2.118  -1.780   6.386
  157   HD11  LEU 128          HD11      LEU 128   0.177  -1.714   5.343
  158   HD12  LEU 128          HD12      LEU 128   0.851  -2.670   4.020
  159   HD13  LEU 128          HD13      LEU 128   0.925  -0.906   3.967
  160   HD21  LEU 128          HD21      LEU 128   4.138  -2.889   5.226
  161   HD22  LEU 128          HD22      LEU 128   2.967  -3.303   3.975
  162   HD23  LEU 128          HD23      LEU 128   2.726  -3.864   5.626
  163    H    CYS 129           HN       CYS 129   4.344   1.862   4.346
  164    HA   CYS 129           HA       CYS 129   6.333   2.864   3.891
  165    HB2  CYS 129           HB2      CYS 129   5.614   3.426   6.603
  166    HB3  CYS 129           HB1      CYS 129   7.362   3.313   6.493
  167    HA   PRO 130           HA       PRO 130   9.892   0.233   3.958
  168    HB2  PRO 130           HB2      PRO 130  11.857   1.572   5.410
  169    HB3  PRO 130           HB1      PRO 130  11.547   1.751   3.681
  170    HG2  PRO 130           HG2      PRO 130  10.644   3.457   5.956
  171    HG3  PRO 130           HG1      PRO 130  11.173   3.934   4.332
  172    HD2  PRO 130           HD2      PRO 130   8.591   3.922   4.979
  173    HD3  PRO 130           HD1      PRO 130   9.126   3.394   3.372
  174    H    TYR 131           HN       TYR 131   8.750  -1.260   5.326
  175    HA   TYR 131           HA       TYR 131   9.132  -1.277   8.152
  176    HB2  TYR 131           HB2      TYR 131   8.447  -3.801   7.739
  177    HB3  TYR 131           HB1      TYR 131   7.261  -2.508   7.579
  178    HD1  TYR 131           HD1      TYR 131   9.507  -4.747   5.663
  179    HD2  TYR 131           HD2      TYR 131   6.187  -2.085   5.514
  180    HE1  TYR 131           HE1      TYR 131   9.046  -5.457   3.354
  181    HE2  TYR 131           HE2      TYR 131   5.720  -2.789   3.207
  182    HH   TYR 131           HH       TYR 131   7.153  -5.519   1.789
  183    H    GLY 132           HN       GLY 132  11.076  -1.952   5.528
  184    HA2  GLY 132           HA2      GLY 132  13.144  -3.085   7.249
  185    HA3  GLY 132           HA1      GLY 132  12.681  -4.018   5.830
  186    H2   PRO  25           HT1      PRO  25 -10.941  17.544   0.689
  187    H3   PRO  25           HT2      PRO  25 -11.300  16.837   2.117
  188    HA   PRO  25           HA       PRO  25 -12.323  15.178   1.256
  189    HB2  PRO  25           HB2      PRO  25 -13.479  16.033  -1.191
  190    HB3  PRO  25           HB1      PRO  25 -14.311  15.654   0.325
  191    HG2  PRO  25           HG2      PRO  25 -13.428  18.277  -0.741
  192    HG3  PRO  25           HG1      PRO  25 -14.803  17.892   0.308
  193    HD2  PRO  25           HD2      PRO  25 -12.642  19.102   1.296
  194    HD3  PRO  25           HD1      PRO  25 -13.484  17.853   2.234
  195    H    THR  26           HN       THR  26 -11.438  13.609   0.002
  196    HA   THR  26           HA       THR  26  -9.989  14.307  -2.419
  197    HB   THR  26           HB       THR  26  -8.266  14.622  -0.736
  198    HG1  THR  26           HG1      THR  26  -7.613  13.617  -2.681
  199   HG21  THR  26          HG21      THR  26  -8.808  11.772   0.103
  200   HG22  THR  26          HG22      THR  26  -9.267  13.204   1.023
  201   HG23  THR  26          HG23      THR  26  -7.563  12.838   0.754
  202    HA   PRO  27           HA       PRO  27 -11.599  10.363  -3.636
  203    HB2  PRO  27           HB2      PRO  27  -9.375  10.100  -5.525
  204    HB3  PRO  27           HB1      PRO  27 -11.098  10.287  -5.840
  205    HG2  PRO  27           HG2      PRO  27  -9.299  12.239  -6.342
  206    HG3  PRO  27           HG1      PRO  27 -10.986  12.562  -5.911
  207    HD2  PRO  27           HD2      PRO  27  -8.528  12.758  -4.236
  208    HD3  PRO  27           HD1      PRO  27  -9.990  13.760  -4.237
  209    H    GLU  28           HN       GLU  28 -11.333   8.706  -2.273
  210    HA   GLU  28           HA       GLU  28  -8.687   7.847  -1.468
  211    HB2  GLU  28           HB2      GLU  28 -10.042   6.136  -0.128
  212    HB3  GLU  28           HB1      GLU  28 -10.198   7.826   0.319
  213    HG2  GLU  28           HG2      GLU  28 -12.309   7.975  -0.851
  214    HG3  GLU  28           HG1      GLU  28 -12.136   6.316  -1.420
  215    H    MET  29           HN       MET  29  -9.162   7.482  -4.217
  216    HA   MET  29           HA       MET  29  -9.992   4.873  -4.871
  217    HB2  MET  29           HB2      MET  29  -8.162   6.826  -6.257
  218    HB3  MET  29           HB1      MET  29  -8.559   5.257  -6.945
  219    HG2  MET  29           HG2      MET  29 -10.504   7.451  -6.271
  220    HG3  MET  29           HG1      MET  29  -9.962   6.985  -7.881
  221    HE1  MET  29           HE1      MET  29 -13.679   5.785  -7.904
  222    HE2  MET  29           HE2      MET  29 -12.446   6.732  -8.738
  223    HE3  MET  29           HE3      MET  29 -13.030   7.244  -7.155
  224    H    ARG  30           HN       ARG  30  -9.126   3.269  -3.665
  225    HA   ARG  30           HA       ARG  30  -6.281   3.180  -3.149
  226    HB2  ARG  30           HB2      ARG  30  -7.586   0.727  -2.439
  227    HB3  ARG  30           HB1      ARG  30  -6.855   1.932  -1.402
  228    HG2  ARG  30           HG2      ARG  30  -9.066   3.203  -1.699
  229    HG3  ARG  30           HG1      ARG  30  -9.692   1.645  -2.234
  230    HD2  ARG  30           HD2      ARG  30  -8.518   0.793  -0.059
  231    HD3  ARG  30           HD1      ARG  30  -8.680   2.473   0.439
  232    HE   ARG  30           HE       ARG  30 -11.160   1.644  -0.507
  233   HH11  ARG  30          HH11      ARG  30  -8.983   0.893   2.108
  234   HH12  ARG  30          HH12      ARG  30 -10.246   0.408   3.190
  235   HH21  ARG  30          HH21      ARG  30 -12.828   1.008   0.911
  236   HH22  ARG  30          HH22      ARG  30 -12.432   0.474   2.510
  237    H    GLU  31           HN       GLU  31  -4.812   2.156  -4.297
  238    HA   GLU  31           HA       GLU  31  -5.628   0.617  -6.622
  239    HB2  GLU  31           HB2      GLU  31  -2.783   1.113  -5.808
  240    HB3  GLU  31           HB1      GLU  31  -3.446   0.887  -7.421
  241    HG2  GLU  31           HG2      GLU  31  -4.483   3.065  -7.349
  242    HG3  GLU  31           HG1      GLU  31  -3.938   3.298  -5.689
  243    H    LYS  32           HN       LYS  32  -5.312  -1.565  -6.892
  244    HA   LYS  32           HA       LYS  32  -4.936  -3.155  -4.588
  245    HB2  LYS  32           HB2      LYS  32  -5.138  -3.722  -7.497
  246    HB3  LYS  32           HB1      LYS  32  -4.780  -4.993  -6.358
  247    HG2  LYS  32           HG2      LYS  32  -6.885  -4.102  -5.115
  248    HG3  LYS  32           HG1      LYS  32  -7.279  -3.419  -6.693
  249    HD2  LYS  32           HD2      LYS  32  -6.823  -5.761  -7.601
  250    HD3  LYS  32           HD1      LYS  32  -6.919  -6.295  -5.927
  251    HE2  LYS  32           HE2      LYS  32  -9.170  -5.299  -5.766
  252    HE3  LYS  32           HE1      LYS  32  -9.073  -4.854  -7.469
  253    HZ1  LYS  32           HZ1      LYS  32 -10.306  -6.907  -7.156
  254    HZ2  LYS  32           HZ2      LYS  32  -8.974  -7.624  -6.401
  255    HZ3  LYS  32           HZ3      LYS  32  -8.888  -7.196  -8.035
  256    H    LEU  33           HN       LEU  33  -3.059  -3.049  -3.650
  257    HA   LEU  33           HA       LEU  33  -0.585  -3.093  -5.195
  258    HB2  LEU  33           HB2      LEU  33  -0.790  -2.813  -2.207
  259    HB3  LEU  33           HB1      LEU  33   0.514  -2.315  -3.260
  260    HG   LEU  33           HG       LEU  33  -2.197  -1.025  -3.040
  261   HD11  LEU  33          HD11      LEU  33   0.542   0.028  -2.399
  262   HD12  LEU  33          HD12      LEU  33  -0.649  -0.506  -1.216
  263   HD13  LEU  33          HD13      LEU  33  -0.981   0.900  -2.229
  264   HD21  LEU  33          HD21      LEU  33  -1.635  -0.875  -5.315
  265   HD22  LEU  33          HD22      LEU  33   0.046  -0.533  -4.940
  266   HD23  LEU  33          HD23      LEU  33  -1.186   0.673  -4.596
  267    H    CYS  34           HN       CYS  34  -0.651  -5.230  -5.862
  268    HA   CYS  34           HA       CYS  34  -0.569  -7.314  -3.809
  269    HB2  CYS  34           HB2      CYS  34  -2.010  -7.400  -5.962
  270    HB3  CYS  34           HB1      CYS  34  -0.501  -7.804  -6.773
  271    H    GLY  35           HN       GLY  35   1.435  -7.435  -2.957
  272    HA2  GLY  35           HA2      GLY  35   3.678  -7.885  -2.811
  273    HA3  GLY  35           HA1      GLY  35   3.509  -8.669  -4.373
  274    H    HIS  36           HN       HIS  36   4.271  -7.680  -6.177
  275    HA   HIS  36           HA       HIS  36   6.267  -5.755  -5.953
  276    HB2  HIS  36           HB2      HIS  36   6.161  -7.281  -7.835
  277    HB3  HIS  36           HB1      HIS  36   4.655  -6.551  -8.371
  278    HD1  HIS  36           HD1      HIS  36   5.219  -5.349 -10.493
  279    HD2  HIS  36           HD2      HIS  36   8.071  -4.758  -7.529
  280    HE1  HIS  36           HE1      HIS  36   6.886  -3.694 -11.430
  281    H    HIS  37           HN       HIS  37   2.861  -5.362  -6.894
  282    HA   HIS  37           HA       HIS  37   3.019  -2.628  -7.563
  283    HB2  HIS  37           HB2      HIS  37   0.633  -4.103  -6.425
  284    HB3  HIS  37           HB1      HIS  37   0.594  -2.589  -7.318
  285    HD1  HIS  37           HD1      HIS  37   0.208  -6.140  -7.814
  286    HD2  HIS  37           HD2      HIS  37   1.620  -2.950 -10.070
  287    HE1  HIS  37           HE1      HIS  37   0.168  -6.904 -10.225
  288    H    PHE  38           HN       PHE  38   2.795  -4.264  -4.472
  289    HA   PHE  38           HA       PHE  38   2.133  -1.848  -3.061
  290    HB2  PHE  38           HB2      PHE  38   1.763  -4.371  -2.329
  291    HB3  PHE  38           HB1      PHE  38   3.369  -4.170  -1.647
  292    HD1  PHE  38           HD1      PHE  38   2.299  -0.995  -1.364
  293    HD2  PHE  38           HD2      PHE  38   1.306  -4.828   0.198
  294    HE1  PHE  38           HE1      PHE  38   1.304   0.061   0.605
  295    HE2  PHE  38           HE2      PHE  38   0.315  -3.781   2.153
  296    HZ   PHE  38           HZ       PHE  38   0.299  -1.325   2.361
  297    H    VAL  39           HN       VAL  39   5.036  -3.819  -3.531
  298    HA   VAL  39           HA       VAL  39   6.838  -2.224  -2.094
  299    HB   VAL  39           HB       VAL  39   7.161  -4.061  -4.469
  300   HG11  VAL  39          HG11      VAL  39   9.585  -3.904  -4.225
  301   HG12  VAL  39          HG12      VAL  39   9.382  -2.617  -3.035
  302   HG13  VAL  39          HG13      VAL  39   8.881  -2.361  -4.706
  303   HG21  VAL  39          HG21      VAL  39   6.671  -5.097  -2.324
  304   HG22  VAL  39          HG22      VAL  39   8.047  -4.267  -1.596
  305   HG23  VAL  39          HG23      VAL  39   8.311  -5.484  -2.846
  306    H    ARG  40           HN       ARG  40   5.250  -1.836  -5.097
  307    HA   ARG  40           HA       ARG  40   6.943   0.209  -6.193
  308    HB2  ARG  40           HB2      ARG  40   4.363  -1.093  -6.865
  309    HB3  ARG  40           HB1      ARG  40   4.678   0.465  -7.593
  310    HG2  ARG  40           HG2      ARG  40   6.869  -0.503  -8.403
  311    HG3  ARG  40           HG1      ARG  40   6.237  -2.077  -7.908
  312    HD2  ARG  40           HD2      ARG  40   5.788  -1.747 -10.253
  313    HD3  ARG  40           HD1      ARG  40   4.271  -1.697  -9.355
  314    HE   ARG  40           HE       ARG  40   5.273   0.914  -9.640
  315   HH11  ARG  40          HH11      ARG  40   3.839  -1.642 -11.531
  316   HH12  ARG  40          HH12      ARG  40   3.127  -0.561 -12.682
  317   HH21  ARG  40          HH21      ARG  40   4.336   2.338 -11.150
  318   HH22  ARG  40          HH22      ARG  40   3.411   1.699 -12.467
  319    H    ALA  41           HN       ALA  41   3.530   0.239  -5.160
  320    HA   ALA  41           HA       ALA  41   3.137   2.947  -4.997
  321    HB1  ALA  41           HB1      ALA  41   1.292   2.511  -3.569
  322    HB2  ALA  41           HB2      ALA  41   2.015   1.017  -2.967
  323    HB3  ALA  41           HB3      ALA  41   1.433   1.110  -4.631
  324    H    LEU  42           HN       LEU  42   4.781   0.795  -2.822
  325    HA   LEU  42           HA       LEU  42   5.084   2.444  -0.593
  326    HB2  LEU  42           HB2      LEU  42   6.105  -0.041  -1.635
  327    HB3  LEU  42           HB1      LEU  42   7.393   0.864  -0.922
  328    HG   LEU  42           HG       LEU  42   6.650  -0.563   0.731
  329   HD11  LEU  42          HD11      LEU  42   5.855   0.876   2.463
  330   HD12  LEU  42          HD12      LEU  42   5.187   1.973   1.257
  331   HD13  LEU  42          HD13      LEU  42   6.934   1.813   1.422
  332   HD21  LEU  42          HD21      LEU  42   4.581  -1.244  -0.288
  333   HD22  LEU  42          HD22      LEU  42   3.901   0.326   0.111
  334   HD23  LEU  42          HD23      LEU  42   4.332  -0.784   1.399
  335    H    VAL  43           HN       VAL  43   7.352   1.779  -3.257
  336    HA   VAL  43           HA       VAL  43   9.340   3.567  -2.600
  337    HB   VAL  43           HB       VAL  43   9.131   1.737  -4.468
  338   HG11  VAL  43          HG11      VAL  43   7.581   3.699  -5.620
  339   HG12  VAL  43          HG12      VAL  43   8.265   2.288  -6.421
  340   HG13  VAL  43          HG13      VAL  43   9.125   3.828  -6.461
  341   HG21  VAL  43          HG21      VAL  43  11.119   2.633  -5.534
  342   HG22  VAL  43          HG22      VAL  43  11.179   2.814  -3.782
  343   HG23  VAL  43          HG23      VAL  43  10.812   4.208  -4.797
  344    H    ARG  44           HN       ARG  44   6.204   4.205  -3.808
  345    HA   ARG  44           HA       ARG  44   6.776   6.739  -5.012
  346    HB2  ARG  44           HB2      ARG  44   4.884   5.365  -5.721
  347    HB3  ARG  44           HB1      ARG  44   4.171   5.554  -4.129
  348    HG2  ARG  44           HG2      ARG  44   3.991   7.966  -4.495
  349    HG3  ARG  44           HG1      ARG  44   4.673   7.759  -6.106
  350    HD2  ARG  44           HD2      ARG  44   2.791   6.309  -6.712
  351    HD3  ARG  44           HD1      ARG  44   2.107   6.533  -5.102
  352    HE   ARG  44           HE       ARG  44   2.488   9.054  -6.242
  353   HH11  ARG  44          HH11      ARG  44   0.545   6.203  -6.732
  354   HH12  ARG  44          HH12      ARG  44  -0.783   7.070  -7.428
  355   HH21  ARG  44          HH21      ARG  44   0.746  10.204  -7.157
  356   HH22  ARG  44          HH22      ARG  44  -0.669   9.345  -7.669
  357    H    VAL  45           HN       VAL  45   4.943   5.869  -2.078
  358    HA   VAL  45           HA       VAL  45   5.169   8.637  -1.164
  359    HB   VAL  45           HB       VAL  45   3.179   8.371  -0.204
  360   HG11  VAL  45          HG11      VAL  45   2.647   7.123  -2.167
  361   HG12  VAL  45          HG12      VAL  45   1.848   6.350  -0.787
  362   HG13  VAL  45          HG13      VAL  45   3.317   5.644  -1.468
  363   HG21  VAL  45          HG21      VAL  45   4.214   5.827   1.043
  364   HG22  VAL  45          HG22      VAL  45   2.632   6.527   1.380
  365   HG23  VAL  45          HG23      VAL  45   4.098   7.418   1.799
  366    H    CYS  46           HN       CYS  46   6.003   5.371  -0.108
  367    HA   CYS  46           HA       CYS  46   7.569   6.538   2.085
  368    HB2  CYS  46           HB2      CYS  46   6.335   3.828   1.686
  369    HB3  CYS  46           HB1      CYS  46   7.585   4.100   2.888
  370    H    GLY  47           HN       GLY  47   9.050   7.048   0.133
  371    HA2  GLY  47           HA2      GLY  47  10.529   5.146  -1.222
  372    HA3  GLY  47           HA1      GLY  47  11.151   6.720  -0.751
  373    H    GLY  48           HN       GLY  48  12.022   3.677  -0.710
  374    HA2  GLY  48           HA2      GLY  48  13.394   3.921   1.891
  375    HA3  GLY  48           HA1      GLY  48  12.638   2.407   1.424
  376    HA   PRO  49           HA       PRO  49  17.034   2.630  -0.235
  377    HB2  PRO  49           HB2      PRO  49  18.024   0.986   1.909
  378    HB3  PRO  49           HB1      PRO  49  18.457   2.652   1.523
  379    HG2  PRO  49           HG2      PRO  49  17.088   1.906   3.783
  380    HG3  PRO  49           HG1      PRO  49  16.991   3.517   3.049
  381    HD2  PRO  49           HD2      PRO  49  15.103   1.206   2.804
  382    HD3  PRO  49           HD1      PRO  49  14.736   2.932   3.006
  383    H    LYS  50           HN       LYS  50  14.796   0.273   0.757
  384    HA   LYS  50           HA       LYS  50  16.251  -1.998  -0.292
  385    HB2  LYS  50           HB2      LYS  50  13.474  -1.659   0.833
  386    HB3  LYS  50           HB1      LYS  50  14.017  -3.172   0.121
  387    HG2  LYS  50           HG2      LYS  50  14.284  -3.367   2.462
  388    HG3  LYS  50           HG1      LYS  50  15.898  -3.171   1.778
  389    HD2  LYS  50           HD2      LYS  50  15.738  -1.809   3.744
  390    HD3  LYS  50           HD1      LYS  50  15.771  -0.748   2.337
  391    HE2  LYS  50           HE2      LYS  50  14.099   0.103   3.788
  392    HE3  LYS  50           HE1      LYS  50  13.262  -0.681   2.455
  393    HZ1  LYS  50           HZ       LYS  50  12.212  -1.878   4.074
  394    H    TRP  51           HN       TRP  51  13.006  -0.737  -1.053
  395    HA   TRP  51           HA       TRP  51  12.991  -1.911  -3.639
  396    HB2  TRP  51           HB2      TRP  51  10.993  -0.160  -3.866
  397    HB3  TRP  51           HB1      TRP  51  10.838  -1.641  -2.937
  398    HD1  TRP  51           HD1      TRP  51  11.921   2.023  -2.173
  399    HE1  TRP  51           HE1      TRP  51  10.926   2.657   0.111
  400    HE3  TRP  51           HE3      TRP  51   9.627  -2.382  -1.030
  401    HZ2  TRP  51           HZ2      TRP  51   9.390   1.449   2.136
  402    HZ3  TRP  51           HZ3      TRP  51   8.425  -2.575   1.108
  403    HH2  TRP  51           HH2      TRP  51   8.304  -0.690   2.657
  Start of MODEL    4
    1    H1   ALA 106           HT1      ALA 106  -1.698   1.831  10.317
    2    H2   ALA 106           HT2      ALA 106  -2.437   2.507  11.679
    3    H3   ALA 106           HT3      ALA 106  -3.170   2.651  10.162
    4    HA   ALA 106           HA       ALA 106  -2.727   0.112  11.620
    5    HB1  ALA 106           HB1      ALA 106  -5.125   0.084  11.988
    6    HB2  ALA 106           HB2      ALA 106  -5.291   1.629  11.152
    7    HB3  ALA 106           HB3      ALA 106  -4.418   1.544  12.681
    8    H    ALA 107           HN       ALA 107  -3.799  -1.710  10.640
    9    HA   ALA 107           HA       ALA 107  -4.846  -1.526   7.978
   10    HB1  ALA 107           HB1      ALA 107  -2.148  -2.826   8.339
   11    HB2  ALA 107           HB2      ALA 107  -2.458  -1.312   7.490
   12    HB3  ALA 107           HB3      ALA 107  -3.111  -2.825   6.861
   13    H    ALA 108           HN       ALA 108  -6.446  -2.950   8.031
   14    HA   ALA 108           HA       ALA 108  -6.602  -5.060   9.916
   15    HB1  ALA 108           HB1      ALA 108  -8.664  -5.674   8.796
   16    HB2  ALA 108           HB2      ALA 108  -8.252  -4.641   7.427
   17    HB3  ALA 108           HB3      ALA 108  -8.581  -3.925   9.005
   18    H    THR 109           HN       THR 109  -6.441  -7.277   9.647
   19    HA   THR 109           HA       THR 109  -5.466  -9.199   8.938
   20    HB   THR 109           HB       THR 109  -5.840  -8.585   6.081
   21    HG1  THR 109           HG1      THR 109  -8.252  -8.983   6.673
   22   HG21  THR 109          HG21      THR 109  -5.565 -10.850   7.532
   23   HG22  THR 109          HG22      THR 109  -6.350 -10.790   5.955
   24   HG23  THR 109          HG23      THR 109  -7.322 -10.750   7.425
   25    H    ASN 110           HN       ASN 110  -4.063  -9.839   6.589
   26    HA   ASN 110           HA       ASN 110  -1.493  -8.843   7.215
   27    HB2  ASN 110           HB2      ASN 110  -2.400 -10.323   4.737
   28    HB3  ASN 110           HB1      ASN 110  -0.733 -10.128   5.270
   29   HD21  ASN 110          HD21      ASN 110  -1.270 -10.503   8.058
   30   HD22  ASN 110          HD22      ASN 110  -1.636 -12.175   8.284
   31    HA   PRO 111           HA       PRO 111  -1.155  -5.114   4.904
   32    HB2  PRO 111           HB2      PRO 111   1.530  -5.999   4.010
   33    HB3  PRO 111           HB1      PRO 111   1.062  -4.575   4.933
   34    HG2  PRO 111           HG2      PRO 111   2.307  -6.613   6.106
   35    HG3  PRO 111           HG1      PRO 111   1.015  -5.728   6.941
   36    HD2  PRO 111           HD2      PRO 111   0.897  -8.382   5.543
   37    HD3  PRO 111           HD1      PRO 111   0.182  -7.897   7.097
   38    H    ALA 112           HN       ALA 112   1.157  -6.387   2.738
   39    HA   ALA 112           HA       ALA 112   0.052  -5.630   0.407
   40    HB1  ALA 112           HB1      ALA 112   1.631  -8.168   0.788
   41    HB2  ALA 112           HB2      ALA 112   2.307  -6.545   0.629
   42    HB3  ALA 112           HB3      ALA 112   1.435  -7.275  -0.722
   43    H    ARG 113           HN       ARG 113  -0.628  -8.710   2.037
   44    HA   ARG 113           HA       ARG 113  -2.140  -9.942   0.073
   45    HB2  ARG 113           HB2      ARG 113  -1.966 -10.113   3.014
   46    HB3  ARG 113           HB1      ARG 113  -3.460 -10.715   2.315
   47    HG2  ARG 113           HG2      ARG 113  -1.889 -12.520   2.583
   48    HG3  ARG 113           HG1      ARG 113  -2.159 -12.215   0.867
   49    HD2  ARG 113           HD2      ARG 113   0.152 -11.009   2.362
   50    HD3  ARG 113           HD1      ARG 113   0.245 -12.610   1.629
   51    HE   ARG 113           HE       ARG 113  -0.670 -10.762  -0.285
   52   HH11  ARG 113          HH11      ARG 113   2.214 -11.594   1.486
   53   HH12  ARG 113          HH12      ARG 113   3.289 -11.019   0.256
   54   HH21  ARG 113          HH21      ARG 113   0.737 -10.001  -1.907
   55   HH22  ARG 113          HH22      ARG 113   2.450 -10.112  -1.673
   56    H    TYR 114           HN       TYR 114  -3.294  -7.801   2.681
   57    HA   TYR 114           HA       TYR 114  -5.969  -7.724   1.722
   58    HB2  TYR 114           HB2      TYR 114  -5.714  -7.184   4.000
   59    HB3  TYR 114           HB1      TYR 114  -4.418  -6.035   3.678
   60    HD1  TYR 114           HD1      TYR 114  -8.035  -6.622   3.525
   61    HD2  TYR 114           HD2      TYR 114  -4.920  -3.759   3.114
   62    HE1  TYR 114           HE1      TYR 114  -9.696  -4.826   3.530
   63    HE2  TYR 114           HE2      TYR 114  -6.580  -1.946   3.113
   64    HH   TYR 114           HH       TYR 114  -8.989  -1.653   2.603
   65    H    CYS 115           HN       CYS 115  -3.168  -5.619   1.304
   66    HA   CYS 115           HA       CYS 115  -4.398  -3.495  -0.007
   67    HB2  CYS 115           HB2      CYS 115  -1.628  -4.573   0.125
   68    HB3  CYS 115           HB1      CYS 115  -1.981  -3.421  -1.158
   69    H    CYS 116           HN       CYS 116  -3.865  -6.693  -1.078
   70    HA   CYS 116           HA       CYS 116  -4.236  -5.915  -3.888
   71    HB2  CYS 116           HB2      CYS 116  -2.333  -7.427  -3.313
   72    HB3  CYS 116           HB1      CYS 116  -3.492  -8.624  -2.762
   73    H    LEU 117           HN       LEU 117  -5.710  -7.627  -1.231
   74    HA   LEU 117           HA       LEU 117  -7.662  -9.047  -2.696
   75    HB2  LEU 117           HB2      LEU 117  -7.479  -8.186   0.160
   76    HB3  LEU 117           HB1      LEU 117  -8.875  -9.051  -0.447
   77    HG   LEU 117           HG       LEU 117  -6.042 -10.093  -0.522
   78   HD11  LEU 117          HD11      LEU 117  -8.323 -10.789   1.322
   79   HD12  LEU 117          HD12      LEU 117  -6.861  -9.907   1.765
   80   HD13  LEU 117          HD13      LEU 117  -6.755 -11.596   1.266
   81   HD21  LEU 117          HD21      LEU 117  -7.424 -10.994  -2.305
   82   HD22  LEU 117          HD22      LEU 117  -8.681 -11.414  -1.142
   83   HD23  LEU 117          HD23      LEU 117  -7.117 -12.227  -1.082
   84    H    SER 118           HN       SER 118  -8.148  -6.176  -0.626
   85    HA   SER 118           HA       SER 118 -10.445  -5.503  -2.334
   86    HB2  SER 118           HB2      SER 118 -11.039  -5.970   0.005
   87    HB3  SER 118           HB1      SER 118  -9.928  -4.709   0.541
   88    HG   SER 118           HG       SER 118 -11.291  -3.336  -0.959
   89    H    GLY 119           HN       GLY 119  -7.335  -4.481  -1.389
   90    HA2  GLY 119           HA2      GLY 119  -6.240  -2.733  -2.615
   91    HA3  GLY 119           HA1      GLY 119  -7.792  -1.937  -2.787
   92    H    CYS 120           HN       CYS 120  -5.398  -0.695  -1.895
   93    HA   CYS 120           HA       CYS 120  -6.379   0.326   0.646
   94    HB2  CYS 120           HB2      CYS 120  -4.175   0.199   1.723
   95    HB3  CYS 120           HB1      CYS 120  -4.758  -1.406   1.302
   96    H    THR 121           HN       THR 121  -6.196   2.457   0.794
   97    HA   THR 121           HA       THR 121  -5.445   3.972  -1.462
   98    HB   THR 121           HB       THR 121  -6.186   5.856  -0.318
   99    HG1  THR 121           HG1      THR 121  -5.300   6.200   1.573
  100   HG21  THR 121          HG21      THR 121  -7.817   3.805  -0.393
  101   HG22  THR 121          HG22      THR 121  -8.263   5.262   0.495
  102   HG23  THR 121          HG23      THR 121  -7.640   3.858   1.361
  103    H    GLN 122           HN       GLN 122  -3.999   5.916  -1.287
  104    HA   GLN 122           HA       GLN 122  -1.328   5.147  -1.004
  105    HB2  GLN 122           HB2      GLN 122  -2.146   7.061  -2.368
  106    HB3  GLN 122           HB1      GLN 122  -2.471   7.951  -0.890
  107    HG2  GLN 122           HG2      GLN 122  -0.051   7.768  -0.331
  108    HG3  GLN 122           HG1      GLN 122   0.205   7.062  -1.925
  109   HE21  GLN 122          HE21      GLN 122   1.202   9.560  -0.718
  110   HE22  GLN 122          HE22      GLN 122   0.732  10.817  -1.808
  111    H    GLN 123           HN       GLN 123  -3.549   6.584   1.277
  112    HA   GLN 123           HA       GLN 123  -1.549   7.253   3.215
  113    HB2  GLN 123           HB2      GLN 123  -4.552   6.933   3.437
  114    HB3  GLN 123           HB1      GLN 123  -3.530   7.480   4.757
  115    HG2  GLN 123           HG2      GLN 123  -3.455   8.904   2.138
  116    HG3  GLN 123           HG1      GLN 123  -4.777   9.200   3.266
  117   HE21  GLN 123          HE21      GLN 123  -2.638  10.973   2.330
  118   HE22  GLN 123          HE22      GLN 123  -1.828  11.525   3.752
  119    H    ASP 124           HN       ASP 124  -3.694   4.497   2.664
  120    HA   ASP 124           HA       ASP 124  -2.995   3.133   5.062
  121    HB2  ASP 124           HB2      ASP 124  -4.186   2.129   2.467
  122    HB3  ASP 124           HB1      ASP 124  -3.983   1.131   3.904
  123    H    LEU 125           HN       LEU 125  -1.567   3.499   1.954
  124    HA   LEU 125           HA       LEU 125   0.237   1.277   2.137
  125    HB2  LEU 125           HB2      LEU 125   0.104   1.694  -0.047
  126    HB3  LEU 125           HB1      LEU 125  -0.829   3.123   0.255
  127    HG   LEU 125           HG       LEU 125   1.299   4.382   0.457
  128   HD11  LEU 125          HD11      LEU 125   3.163   3.021  -0.819
  129   HD12  LEU 125          HD12      LEU 125   2.307   1.666  -0.083
  130   HD13  LEU 125          HD13      LEU 125   2.993   2.932   0.933
  131   HD21  LEU 125          HD21      LEU 125  -0.096   4.186  -1.615
  132   HD22  LEU 125          HD22      LEU 125   1.016   2.925  -2.109
  133   HD23  LEU 125          HD23      LEU 125   1.605   4.551  -1.889
  134    H    LEU 126           HN       LEU 126   0.116   4.680   2.579
  135    HA   LEU 126           HA       LEU 126   2.787   5.318   3.029
  136    HB2  LEU 126           HB2      LEU 126   1.685   7.273   2.872
  137    HB3  LEU 126           HB1      LEU 126   0.170   6.519   3.288
  138    HG   LEU 126           HG       LEU 126   0.934   6.658   5.707
  139   HD11  LEU 126          HD11      LEU 126   2.868   8.623   4.489
  140   HD12  LEU 126          HD12      LEU 126   3.287   7.115   5.303
  141   HD13  LEU 126          HD13      LEU 126   2.544   8.431   6.213
  142   HD21  LEU 126          HD21      LEU 126  -0.834   8.031   4.893
  143   HD22  LEU 126          HD22      LEU 126   0.307   9.124   4.106
  144   HD23  LEU 126          HD23      LEU 126   0.237   9.038   5.867
  145    H    THR 127           HN       THR 127   0.207   4.489   5.312
  146    HA   THR 127           HA       THR 127   1.817   4.767   7.626
  147    HB   THR 127           HB       THR 127  -0.581   5.046   7.745
  148    HG1  THR 127           HG1      THR 127  -0.858   3.864   9.640
  149   HG21  THR 127          HG21      THR 127  -2.093   3.158   7.522
  150   HG22  THR 127          HG22      THR 127  -0.734   2.092   7.163
  151   HG23  THR 127          HG23      THR 127  -1.165   3.377   6.038
  152    H    LEU 128           HN       LEU 128   1.420   2.173   5.379
  153    HA   LEU 128           HA       LEU 128   2.122   0.107   7.209
  154    HB2  LEU 128           HB2      LEU 128   1.574   0.267   4.333
  155    HB3  LEU 128           HB1      LEU 128   2.789  -0.917   4.769
  156    HG   LEU 128           HG       LEU 128   0.265  -0.861   6.319
  157   HD11  LEU 128          HD11      LEU 128   0.064  -0.851   3.614
  158   HD12  LEU 128          HD12      LEU 128  -1.064  -1.649   4.697
  159   HD13  LEU 128          HD13      LEU 128   0.228  -2.579   3.936
  160   HD21  LEU 128          HD21      LEU 128   2.138  -2.319   6.914
  161   HD22  LEU 128          HD22      LEU 128   2.059  -3.036   5.306
  162   HD23  LEU 128          HD23      LEU 128   0.713  -3.242   6.427
  163    H    CYS 129           HN       CYS 129   3.979   1.898   4.762
  164    HA   CYS 129           HA       CYS 129   6.330   0.880   4.514
  165    HB2  CYS 129           HB2      CYS 129   6.124   3.081   3.805
  166    HB3  CYS 129           HB1      CYS 129   5.754   3.671   5.420
  167    HA   PRO 130           HA       PRO 130   8.074   2.018   9.051
  168    HB2  PRO 130           HB2      PRO 130   5.449   1.466  10.369
  169    HB3  PRO 130           HB1      PRO 130   6.755   2.544  10.872
  170    HG2  PRO 130           HG2      PRO 130   4.562   3.518   9.724
  171    HG3  PRO 130           HG1      PRO 130   6.160   4.191   9.353
  172    HD2  PRO 130           HD2      PRO 130   4.415   2.446   7.698
  173    HD3  PRO 130           HD1      PRO 130   5.582   3.680   7.198
  174    H    TYR 131           HN       TYR 131   6.189  -0.485   7.730
  175    HA   TYR 131           HA       TYR 131   6.719  -2.432   9.783
  176    HB2  TYR 131           HB2      TYR 131   5.434  -3.920   8.540
  177    HB3  TYR 131           HB1      TYR 131   4.714  -2.371   8.131
  178    HD1  TYR 131           HD2      TYR 131   5.411  -1.288   5.914
  179    HD2  TYR 131           HD1      TYR 131   6.250  -5.344   6.875
  180    HE1  TYR 131           HE2      TYR 131   5.740  -1.771   3.530
  181    HE2  TYR 131           HE1      TYR 131   6.579  -5.844   4.491
  182    HH   TYR 131           HH       TYR 131   6.933  -3.457   2.138
  183    H    GLY 132           HN       GLY 132   8.032  -1.572   6.632
  184    HA2  GLY 132           HA2      GLY 132  10.515  -2.909   7.299
  185    HA3  GLY 132           HA1      GLY 132   9.648  -3.607   5.939
  186    H2   PRO  25           HT1      PRO  25 -15.611  14.857   4.526
  187    H3   PRO  25           HT2      PRO  25 -16.316  13.628   5.334
  188    HA   PRO  25           HA       PRO  25 -17.385  12.884   3.650
  189    HB2  PRO  25           HB2      PRO  25 -17.988  15.065   1.946
  190    HB3  PRO  25           HB1      PRO  25 -19.104  14.165   2.983
  191    HG2  PRO  25           HG2      PRO  25 -17.682  16.718   3.504
  192    HG3  PRO  25           HG1      PRO  25 -19.259  16.165   4.093
  193    HD2  PRO  25           HD2      PRO  25 -17.149  16.228   5.722
  194    HD3  PRO  25           HD1      PRO  25 -18.313  14.893   5.806
  195    H    THR  26           HN       THR  26 -15.760  11.856   2.642
  196    HA   THR  26           HA       THR  26 -14.547  13.101   0.345
  197    HB   THR  26           HB       THR  26 -12.988  13.873   2.039
  198    HG1  THR  26           HG1      THR  26 -11.377  11.889   1.094
  199   HG21  THR  26          HG21      THR  26 -11.717  12.304   3.424
  200   HG22  THR  26          HG22      THR  26 -12.658  10.963   2.774
  201   HG23  THR  26          HG23      THR  26 -13.444  12.193   3.762
  202    HA   PRO  27           HA       PRO  27 -14.632   8.797  -0.769
  203    HB2  PRO  27           HB2      PRO  27 -13.506   9.126  -3.274
  204    HB3  PRO  27           HB1      PRO  27 -15.206   9.383  -2.883
  205    HG2  PRO  27           HG2      PRO  27 -13.235  11.333  -3.629
  206    HG3  PRO  27           HG1      PRO  27 -14.953  11.584  -3.290
  207    HD2  PRO  27           HD2      PRO  27 -12.621  12.078  -1.579
  208    HD3  PRO  27           HD1      PRO  27 -14.276  12.705  -1.440
  209    H    GLU  28           HN       GLU  28 -13.210   7.037  -1.490
  210    HA   GLU  28           HA       GLU  28 -10.357   7.582  -1.044
  211    HB2  GLU  28           HB2      GLU  28 -10.289   5.346   0.181
  212    HB3  GLU  28           HB1      GLU  28 -11.007   6.702   1.039
  213    HG2  GLU  28           HG2      GLU  28 -13.234   5.890   0.469
  214    HG3  GLU  28           HG1      GLU  28 -12.518   4.535  -0.402
  215    H    MET  29           HN       MET  29  -9.355   7.090  -2.862
  216    HA   MET  29           HA       MET  29 -10.325   4.867  -4.508
  217    HB2  MET  29           HB2      MET  29  -8.847   7.372  -5.033
  218    HB3  MET  29           HB1      MET  29  -8.327   5.979  -5.971
  219    HG2  MET  29           HG2      MET  29  -9.991   7.297  -7.158
  220    HG3  MET  29           HG1      MET  29 -10.576   5.671  -6.812
  221    HE1  MET  29           HE1      MET  29 -13.844   7.798  -6.618
  222    HE2  MET  29           HE2      MET  29 -13.029   6.433  -7.382
  223    HE3  MET  29           HE3      MET  29 -12.486   8.079  -7.706
  224    H    ARG  30           HN       ARG  30  -9.509   3.100  -3.402
  225    HA   ARG  30           HA       ARG  30  -6.629   3.000  -2.915
  226    HB2  ARG  30           HB2      ARG  30  -7.739   0.574  -2.091
  227    HB3  ARG  30           HB1      ARG  30  -7.267   1.921  -1.073
  228    HG2  ARG  30           HG2      ARG  30  -9.591   2.846  -1.475
  229    HG3  ARG  30           HG1      ARG  30  -9.985   1.255  -2.129
  230    HD2  ARG  30           HD2      ARG  30  -8.894   0.447   0.128
  231    HD3  ARG  30           HD1      ARG  30  -9.335   2.068   0.657
  232    HE   ARG  30           HE       ARG  30 -11.558   0.906  -0.586
  233   HH11  ARG  30          HH11      ARG  30  -9.625   0.529   2.290
  234   HH12  ARG  30          HH12      ARG  30 -10.925  -0.120   3.232
  235   HH21  ARG  30          HH21      ARG  30 -13.272   0.053   0.648
  236   HH22  ARG  30          HH22      ARG  30 -12.999  -0.390   2.299
  237    H    GLU  31           HN       GLU  31  -5.254   1.659  -3.930
  238    HA   GLU  31           HA       GLU  31  -6.272   0.260  -6.287
  239    HB2  GLU  31           HB2      GLU  31  -3.383   0.687  -5.555
  240    HB3  GLU  31           HB1      GLU  31  -4.052   0.301  -7.132
  241    HG2  GLU  31           HG2      GLU  31  -5.090   2.498  -7.249
  242    HG3  GLU  31           HG1      GLU  31  -4.456   2.890  -5.651
  243    H    LYS  32           HN       LYS  32  -5.671  -1.924  -6.727
  244    HA   LYS  32           HA       LYS  32  -5.554  -3.564  -4.380
  245    HB2  LYS  32           HB2      LYS  32  -5.844  -4.016  -7.295
  246    HB3  LYS  32           HB1      LYS  32  -5.496  -5.365  -6.230
  247    HG2  LYS  32           HG2      LYS  32  -7.484  -4.476  -4.842
  248    HG3  LYS  32           HG1      LYS  32  -7.912  -3.618  -6.321
  249    HD2  LYS  32           HD2      LYS  32  -7.718  -5.857  -7.484
  250    HD3  LYS  32           HD1      LYS  32  -7.673  -6.575  -5.878
  251    HE2  LYS  32           HE2      LYS  32  -9.900  -5.007  -7.152
  252    HE3  LYS  32           HE1      LYS  32  -9.933  -6.671  -6.568
  253    HZ1  LYS  32           HZ1      LYS  32  -9.760  -4.206  -4.926
  254    HZ2  LYS  32           HZ2      LYS  32  -9.580  -5.767  -4.303
  255    HZ3  LYS  32           HZ3      LYS  32 -11.050  -5.299  -4.996
  256    H    LEU  33           HN       LEU  33  -3.401  -2.238  -4.186
  257    HA   LEU  33           HA       LEU  33  -1.062  -2.870  -5.482
  258    HB2  LEU  33           HB2      LEU  33  -1.312  -2.381  -2.520
  259    HB3  LEU  33           HB1      LEU  33   0.083  -2.078  -3.530
  260    HG   LEU  33           HG       LEU  33  -2.520  -0.573  -3.575
  261   HD11  LEU  33          HD11      LEU  33   0.268   0.339  -2.907
  262   HD12  LEU  33          HD12      LEU  33  -0.979  -0.044  -1.721
  263   HD13  LEU  33          HD13      LEU  33  -1.206   1.304  -2.835
  264   HD21  LEU  33          HD21      LEU  33  -1.736  -0.775  -5.833
  265   HD22  LEU  33          HD22      LEU  33  -0.122  -0.301  -5.335
  266   HD23  LEU  33          HD23      LEU  33  -1.434   0.862  -5.253
  267    H    CYS  34           HN       CYS  34  -0.737  -4.984  -6.001
  268    HA   CYS  34           HA       CYS  34  -0.853  -7.028  -3.953
  269    HB2  CYS  34           HB2      CYS  34  -1.335  -7.006  -6.672
  270    HB3  CYS  34           HB1      CYS  34   0.211  -7.835  -6.552
  271    H    GLY  35           HN       GLY  35   1.230  -8.670  -5.151
  272    HA2  GLY  35           HA2      GLY  35   3.312  -8.458  -3.509
  273    HA3  GLY  35           HA1      GLY  35   3.521  -8.980  -5.168
  274    H    HIS  36           HN       HIS  36   4.219  -7.423  -6.746
  275    HA   HIS  36           HA       HIS  36   6.131  -5.592  -5.640
  276    HB2  HIS  36           HB2      HIS  36   6.877  -5.250  -7.894
  277    HB3  HIS  36           HB1      HIS  36   6.548  -6.966  -7.679
  278    HD1  HIS  36           HD1      HIS  36   5.931  -4.282  -9.984
  279    HD2  HIS  36           HD2      HIS  36   3.836  -7.637  -8.717
  280    HE1  HIS  36           HE1      HIS  36   4.179  -4.734 -11.750
  281    H    HIS  37           HN       HIS  37   2.899  -5.271  -6.909
  282    HA   HIS  37           HA       HIS  37   2.997  -2.566  -7.683
  283    HB2  HIS  37           HB2      HIS  37   0.618  -3.987  -6.486
  284    HB3  HIS  37           HB1      HIS  37   0.588  -2.559  -7.506
  285    HD1  HIS  37           HD1      HIS  37   0.484  -6.219  -7.675
  286    HD2  HIS  37           HD2      HIS  37   1.391  -3.072 -10.229
  287    HE1  HIS  37           HE1      HIS  37   0.397  -7.161 -10.020
  288    H    PHE  38           HN       PHE  38   2.271  -4.055  -4.536
  289    HA   PHE  38           HA       PHE  38   1.759  -1.562  -3.266
  290    HB2  PHE  38           HB2      PHE  38   0.884  -3.675  -2.341
  291    HB3  PHE  38           HB1      PHE  38   2.527  -4.207  -2.002
  292    HD1  PHE  38           HD1      PHE  38   1.562  -0.700  -1.470
  293    HD2  PHE  38           HD2      PHE  38   2.032  -4.513   0.364
  294    HE1  PHE  38           HE1      PHE  38   1.464   0.345   0.737
  295    HE2  PHE  38           HE2      PHE  38   1.955  -3.461   2.567
  296    HZ   PHE  38           HZ       PHE  38   1.671  -1.026   2.752
  297    H    VAL  39           HN       VAL  39   4.600  -3.640  -3.557
  298    HA   VAL  39           HA       VAL  39   6.298  -2.164  -1.845
  299    HB   VAL  39           HB       VAL  39   6.932  -3.915  -4.236
  300   HG11  VAL  39          HG11      VAL  39   9.218  -4.021  -3.409
  301   HG12  VAL  39          HG12      VAL  39   8.822  -2.867  -2.135
  302   HG13  VAL  39          HG13      VAL  39   8.774  -2.366  -3.826
  303   HG21  VAL  39          HG21      VAL  39   7.503  -5.592  -2.554
  304   HG22  VAL  39          HG22      VAL  39   5.825  -5.073  -2.399
  305   HG23  VAL  39          HG23      VAL  39   7.042  -4.470  -1.274
  306    H    ARG  40           HN       ARG  40   5.238  -1.742  -5.104
  307    HA   ARG  40           HA       ARG  40   7.186   0.230  -5.854
  308    HB2  ARG  40           HB2      ARG  40   5.124  -1.282  -7.085
  309    HB3  ARG  40           HB1      ARG  40   4.761   0.403  -7.378
  310    HG2  ARG  40           HG2      ARG  40   7.129   0.652  -8.208
  311    HG3  ARG  40           HG1      ARG  40   7.244  -1.109  -8.139
  312    HD2  ARG  40           HD2      ARG  40   6.663  -0.587 -10.365
  313    HD3  ARG  40           HD1      ARG  40   5.184  -1.167  -9.603
  314    HE   ARG  40           HE       ARG  40   4.864   1.421  -9.267
  315   HH11  ARG  40          HH11      ARG  40   6.048  -0.284 -12.069
  316   HH12  ARG  40          HH12      ARG  40   5.466   0.899 -13.193
  317   HH21  ARG  40          HH21      ARG  40   4.100   2.983 -10.742
  318   HH22  ARG  40          HH22      ARG  40   4.363   2.756 -12.438
  319    H    ALA  41           HN       ALA  41   3.676   0.344  -5.267
  320    HA   ALA  41           HA       ALA  41   3.371   3.094  -5.142
  321    HB1  ALA  41           HB1      ALA  41   1.290   2.702  -4.103
  322    HB2  ALA  41           HB2      ALA  41   1.841   1.190  -3.380
  323    HB3  ALA  41           HB3      ALA  41   1.568   1.289  -5.121
  324    H    LEU  42           HN       LEU  42   4.821   0.862  -3.008
  325    HA   LEU  42           HA       LEU  42   4.755   2.462  -0.636
  326    HB2  LEU  42           HB2      LEU  42   6.052  -0.065  -1.500
  327    HB3  LEU  42           HB1      LEU  42   6.687   0.734  -0.090
  328    HG   LEU  42           HG       LEU  42   3.791   0.043  -0.365
  329   HD11  LEU  42          HD11      LEU  42   4.337  -2.097  -0.199
  330   HD12  LEU  42          HD12      LEU  42   4.930  -1.702   1.406
  331   HD13  LEU  42          HD13      LEU  42   6.042  -1.712   0.047
  332   HD21  LEU  42          HD21      LEU  42   4.034   0.070   2.156
  333   HD22  LEU  42          HD22      LEU  42   4.119   1.608   1.313
  334   HD23  LEU  42          HD23      LEU  42   5.596   0.848   1.886
  335    H    VAL  43           HN       VAL  43   7.345   1.504  -2.880
  336    HA   VAL  43           HA       VAL  43   9.333   3.160  -1.902
  337    HB   VAL  43           HB       VAL  43   9.401   1.237  -3.632
  338   HG11  VAL  43          HG11      VAL  43   8.070   3.125  -5.165
  339   HG12  VAL  43          HG12      VAL  43   8.762   1.599  -5.711
  340   HG13  VAL  43          HG13      VAL  43   9.707   3.085  -5.813
  341   HG21  VAL  43          HG21      VAL  43  11.534   1.991  -4.438
  342   HG22  VAL  43          HG22      VAL  43  11.314   2.447  -2.750
  343   HG23  VAL  43          HG23      VAL  43  11.136   3.659  -4.017
  344    H    ARG  44           HN       ARG  44   6.451   3.984  -3.347
  345    HA   ARG  44           HA       ARG  44   7.356   6.428  -4.606
  346    HB2  ARG  44           HB2      ARG  44   5.623   5.206  -5.716
  347    HB3  ARG  44           HB1      ARG  44   4.648   5.203  -4.260
  348    HG2  ARG  44           HG2      ARG  44   4.470   7.652  -4.408
  349    HG3  ARG  44           HG1      ARG  44   5.356   7.594  -5.926
  350    HD2  ARG  44           HD2      ARG  44   3.582   6.048  -6.796
  351    HD3  ARG  44           HD1      ARG  44   2.664   6.387  -5.329
  352    HE   ARG  44           HE       ARG  44   3.283   8.838  -6.446
  353   HH11  ARG  44          HH11      ARG  44   1.503   5.984  -7.356
  354   HH12  ARG  44          HH12      ARG  44   0.398   6.842  -8.377
  355   HH21  ARG  44          HH21      ARG  44   1.836   9.976  -7.792
  356   HH22  ARG  44          HH22      ARG  44   0.589   9.111  -8.627
  357    H    VAL  45           HN       VAL  45   5.066   5.605  -1.989
  358    HA   VAL  45           HA       VAL  45   4.964   8.361  -1.152
  359    HB   VAL  45           HB       VAL  45   3.182   7.808   0.199
  360   HG11  VAL  45          HG11      VAL  45   2.562   7.327  -2.070
  361   HG12  VAL  45          HG12      VAL  45   1.794   6.142  -0.996
  362   HG13  VAL  45          HG13      VAL  45   3.223   5.693  -1.938
  363   HG21  VAL  45          HG21      VAL  45   4.390   5.070   0.436
  364   HG22  VAL  45          HG22      VAL  45   2.731   5.418   0.932
  365   HG23  VAL  45          HG23      VAL  45   4.082   6.250   1.711
  366    H    CYS  46           HN       CYS  46   6.355   5.366   0.086
  367    HA   CYS  46           HA       CYS  46   7.468   6.844   2.357
  368    HB2  CYS  46           HB2      CYS  46   6.589   4.966   3.304
  369    HB3  CYS  46           HB1      CYS  46   6.786   3.998   1.853
  370    H    GLY  47           HN       GLY  47   8.363   5.254  -0.597
  371    HA2  GLY  47           HA2      GLY  47  10.430   4.791  -1.542
  372    HA3  GLY  47           HA1      GLY  47  10.784   6.417  -0.979
  373    H    GLY  48           HN       GLY  48  10.323   3.332   0.746
  374    HA2  GLY  48           HA2      GLY  48  12.337   3.830   2.644
  375    HA3  GLY  48           HA1      GLY  48  11.634   2.259   2.295
  376    HA   PRO  49           HA       PRO  49  15.983   2.405   0.583
  377    HB2  PRO  49           HB2      PRO  49  17.534   1.728   2.657
  378    HB3  PRO  49           HB1      PRO  49  16.997   3.392   2.404
  379    HG2  PRO  49           HG2      PRO  49  16.086   1.396   4.394
  380    HG3  PRO  49           HG1      PRO  49  16.108   3.163   4.499
  381    HD2  PRO  49           HD2      PRO  49  13.893   1.488   3.864
  382    HD3  PRO  49           HD1      PRO  49  13.942   3.259   3.847
  383    H    LYS  50           HN       LYS  50  14.080   0.103   2.234
  384    HA   LYS  50           HA       LYS  50  15.813  -2.148   1.975
  385    HB2  LYS  50           HB2      LYS  50  12.854  -1.883   2.462
  386    HB3  LYS  50           HB1      LYS  50  13.633  -3.449   2.294
  387    HG2  LYS  50           HG2      LYS  50  13.522  -3.091   4.593
  388    HG3  LYS  50           HG1      LYS  50  15.187  -2.690   4.167
  389    HD2  LYS  50           HD2      LYS  50  14.397  -1.004   5.659
  390    HD3  LYS  50           HD1      LYS  50  14.484  -0.288   4.049
  391    HE2  LYS  50           HE2      LYS  50  12.423   0.354   5.191
  392    HE3  LYS  50           HE1      LYS  50  12.083  -0.621   3.763
  393    HZ1  LYS  50           HZ       LYS  50  12.260  -2.176   6.163
  394    H    TRP  51           HN       TRP  51  12.678  -1.673   0.362
  395    HA   TRP  51           HA       TRP  51  13.080  -3.496  -1.687
  396    HB2  TRP  51           HB2      TRP  51  11.399  -1.809  -2.911
  397    HB3  TRP  51           HB1      TRP  51  10.884  -2.878  -1.614
  398    HD1  TRP  51           HD1      TRP  51  12.346   0.727  -1.794
  399    HE1  TRP  51           HE1      TRP  51  11.052   2.171  -0.109
  400    HE3  TRP  51           HE3      TRP  51   9.191  -2.824   0.056
  401    HZ2  TRP  51           HZ2      TRP  51   8.970   1.848   1.777
  402    HZ3  TRP  51           HZ3      TRP  51   7.578  -2.185   1.800
  403    HH2  TRP  51           HH2      TRP  51   7.461   0.101   2.644
  Start of MODEL    5
    1    H1   ALA 106           HT1      ALA 106  -3.249   2.237  12.649
    2    H2   ALA 106           HT2      ALA 106  -3.825   1.438  14.023
    3    H3   ALA 106           HT3      ALA 106  -4.553   2.877  13.515
    4    HA   ALA 106           HA       ALA 106  -5.920   0.988  12.938
    5    HB1  ALA 106           HB1      ALA 106  -4.640   2.269  10.527
    6    HB2  ALA 106           HB2      ALA 106  -5.926   2.978  11.503
    7    HB3  ALA 106           HB3      ALA 106  -6.226   1.501  10.585
    8    H    ALA 107           HN       ALA 107  -5.987  -1.121  12.529
    9    HA   ALA 107           HA       ALA 107  -4.036  -2.376  10.789
   10    HB1  ALA 107           HB1      ALA 107  -4.278  -3.233  13.670
   11    HB2  ALA 107           HB2      ALA 107  -2.911  -2.366  12.971
   12    HB3  ALA 107           HB3      ALA 107  -3.288  -4.001  12.430
   13    H    ALA 108           HN       ALA 108  -5.093  -3.774   9.554
   14    HA   ALA 108           HA       ALA 108  -7.645  -4.860  10.520
   15    HB1  ALA 108           HB1      ALA 108  -8.115  -5.306   8.121
   16    HB2  ALA 108           HB2      ALA 108  -6.587  -4.524   7.717
   17    HB3  ALA 108           HB3      ALA 108  -7.872  -3.598   8.492
   18    H    THR 109           HN       THR 109  -5.319  -6.056   8.098
   19    HA   THR 109           HA       THR 109  -5.138  -8.564   9.614
   20    HB   THR 109           HB       THR 109  -5.132  -9.771   7.393
   21    HG1  THR 109           HG1      THR 109  -5.887  -7.181   6.562
   22   HG21  THR 109          HG21      THR 109  -7.673  -8.344   8.183
   23   HG22  THR 109          HG22      THR 109  -7.057  -9.834   8.900
   24   HG23  THR 109          HG23      THR 109  -7.576  -9.814   7.214
   25    H    ASN 110           HN       ASN 110  -3.826  -7.561   6.465
   26    HA   ASN 110           HA       ASN 110  -1.153  -7.334   7.577
   27    HB2  ASN 110           HB2      ASN 110  -1.923  -9.472   5.589
   28    HB3  ASN 110           HB1      ASN 110  -0.260  -8.947   5.832
   29   HD21  ASN 110          HD21      ASN 110   0.784  -9.435   7.758
   30   HD22  ASN 110          HD22      ASN 110   0.190 -10.641   8.844
   31    HA   PRO 111           HA       PRO 111  -0.480  -4.215   4.544
   32    HB2  PRO 111           HB2      PRO 111   2.014  -5.674   3.783
   33    HB3  PRO 111           HB1      PRO 111   1.800  -3.983   4.237
   34    HG2  PRO 111           HG2      PRO 111   2.848  -5.691   5.961
   35    HG3  PRO 111           HG1      PRO 111   1.664  -4.491   6.513
   36    HD2  PRO 111           HD2      PRO 111   1.282  -7.411   5.958
   37    HD3  PRO 111           HD1      PRO 111   0.629  -6.422   7.282
   38    H    ALA 112           HN       ALA 112   1.495  -6.200   2.593
   39    HA   ALA 112           HA       ALA 112   0.253  -5.790   0.210
   40    HB1  ALA 112           HB1      ALA 112   1.662  -8.358   0.906
   41    HB2  ALA 112           HB2      ALA 112   2.488  -6.839   0.565
   42    HB3  ALA 112           HB3      ALA 112   1.512  -7.611  -0.685
   43    H    ARG 113           HN       ARG 113  -0.445  -8.401   2.497
   44    HA   ARG 113           HA       ARG 113  -2.139  -9.931   0.913
   45    HB2  ARG 113           HB2      ARG 113  -1.271 -10.514   3.205
   46    HB3  ARG 113           HB1      ARG 113  -2.503  -9.451   3.870
   47    HG2  ARG 113           HG2      ARG 113  -3.599 -11.432   4.016
   48    HG3  ARG 113           HG1      ARG 113  -4.095 -10.952   2.392
   49    HD2  ARG 113           HD2      ARG 113  -1.829 -12.818   3.090
   50    HD3  ARG 113           HD1      ARG 113  -3.397 -13.285   2.436
   51    HE   ARG 113           HE       ARG 113  -2.137 -11.425   0.721
   52   HH11  ARG 113          HH11      ARG 113  -1.982 -14.757   1.730
   53   HH12  ARG 113          HH12      ARG 113  -1.277 -15.307   0.247
   54   HH21  ARG 113          HH21      ARG 113  -1.207 -12.141  -1.234
   55   HH22  ARG 113          HH22      ARG 113  -0.836 -13.820  -1.437
   56    H    TYR 114           HN       TYR 114  -2.927  -7.182   3.020
   57    HA   TYR 114           HA       TYR 114  -5.712  -7.231   2.533
   58    HB2  TYR 114           HB2      TYR 114  -5.103  -6.033   4.434
   59    HB3  TYR 114           HB1      TYR 114  -3.810  -5.174   3.605
   60    HD1  TYR 114           HD1      TYR 114  -7.476  -5.443   3.954
   61    HD2  TYR 114           HD2      TYR 114  -4.208  -3.059   2.652
   62    HE1  TYR 114           HE1      TYR 114  -8.985  -3.541   3.677
   63    HE2  TYR 114           HE2      TYR 114  -5.711  -1.143   2.365
   64    HH   TYR 114           HH       TYR 114  -8.133  -0.735   1.991
   65    H    CYS 115           HN       CYS 115  -3.148  -5.190   1.140
   66    HA   CYS 115           HA       CYS 115  -4.788  -3.752  -0.617
   67    HB2  CYS 115           HB2      CYS 115  -1.857  -4.454  -0.870
   68    HB3  CYS 115           HB1      CYS 115  -2.687  -3.237  -1.831
   69    H    CYS 116           HN       CYS 116  -3.567  -6.970  -0.793
   70    HA   CYS 116           HA       CYS 116  -3.880  -7.225  -3.653
   71    HB2  CYS 116           HB2      CYS 116  -2.189  -8.485  -2.272
   72    HB3  CYS 116           HB1      CYS 116  -3.519  -9.431  -1.621
   73    H    LEU 117           HN       LEU 117  -6.115  -6.737  -1.484
   74    HA   LEU 117           HA       LEU 117  -7.989  -8.675  -2.657
   75    HB2  LEU 117           HB2      LEU 117  -8.010  -7.593   0.141
   76    HB3  LEU 117           HB1      LEU 117  -9.243  -8.630  -0.541
   77    HG   LEU 117           HG       LEU 117  -6.352  -9.430  -0.212
   78   HD11  LEU 117          HD11      LEU 117  -8.738 -10.120   1.496
   79   HD12  LEU 117          HD12      LEU 117  -7.403  -9.066   1.961
   80   HD13  LEU 117          HD13      LEU 117  -7.112 -10.780   1.669
   81   HD21  LEU 117          HD21      LEU 117  -7.524 -10.611  -1.998
   82   HD22  LEU 117          HD22      LEU 117  -8.815 -11.038  -0.876
   83   HD23  LEU 117          HD23      LEU 117  -7.192 -11.683  -0.637
   84    H    SER 118           HN       SER 118  -8.064  -5.599  -0.825
   85    HA   SER 118           HA       SER 118 -10.185  -4.721  -2.674
   86    HB2  SER 118           HB2      SER 118 -11.033  -3.311  -0.816
   87    HB3  SER 118           HB1      SER 118 -11.066  -5.032  -0.433
   88    HG   SER 118           HG       SER 118 -10.061  -3.268   1.071
   89    H    GLY 119           HN       GLY 119  -7.020  -4.258  -2.144
   90    HA2  GLY 119           HA2      GLY 119  -5.658  -2.603  -3.071
   91    HA3  GLY 119           HA1      GLY 119  -7.091  -1.637  -3.373
   92    H    CYS 120           HN       CYS 120  -5.204  -0.115  -2.573
   93    HA   CYS 120           HA       CYS 120  -6.033   0.811  -0.011
   94    HB2  CYS 120           HB2      CYS 120  -3.741   0.675   1.039
   95    HB3  CYS 120           HB1      CYS 120  -4.569  -0.867   0.868
   96    H    THR 121           HN       THR 121  -5.837   2.933   0.069
   97    HA   THR 121           HA       THR 121  -4.695   4.350  -2.137
   98    HB   THR 121           HB       THR 121  -5.735   6.250  -1.318
   99    HG1  THR 121           HG1      THR 121  -6.333   5.825   1.215
  100   HG21  THR 121          HG21      THR 121  -7.374   4.388  -1.669
  101   HG22  THR 121          HG22      THR 121  -7.925   5.628  -0.543
  102   HG23  THR 121          HG23      THR 121  -7.324   4.088   0.068
  103    H    GLN 122           HN       GLN 122  -3.616   6.610  -1.209
  104    HA   GLN 122           HA       GLN 122  -0.956   5.906  -0.604
  105    HB2  GLN 122           HB2      GLN 122  -1.653   7.975  -1.790
  106    HB3  GLN 122           HB1      GLN 122  -2.294   8.598  -0.279
  107    HG2  GLN 122           HG2      GLN 122  -0.073   8.566   0.702
  108    HG3  GLN 122           HG1      GLN 122   0.587   7.893  -0.787
  109   HE21  GLN 122          HE21      GLN 122   1.980   9.618  -1.079
  110   HE22  GLN 122          HE22      GLN 122   1.431  11.180  -1.572
  111    H    GLN 123           HN       GLN 123  -3.661   6.849   1.407
  112    HA   GLN 123           HA       GLN 123  -2.102   7.241   3.784
  113    HB2  GLN 123           HB2      GLN 123  -5.068   6.830   3.364
  114    HB3  GLN 123           HB1      GLN 123  -4.340   7.184   4.925
  115    HG2  GLN 123           HG2      GLN 123  -3.473   9.302   4.000
  116    HG3  GLN 123           HG1      GLN 123  -4.309   8.950   2.489
  117   HE21  GLN 123          HE21      GLN 123  -5.588  10.784   2.640
  118   HE22  GLN 123          HE22      GLN 123  -6.882  10.917   3.776
  119    H    ASP 124           HN       ASP 124  -4.146   4.618   2.537
  120    HA   ASP 124           HA       ASP 124  -3.786   2.895   4.735
  121    HB2  ASP 124           HB2      ASP 124  -4.449   2.333   1.842
  122    HB3  ASP 124           HB1      ASP 124  -4.432   1.087   3.086
  123    H    LEU 125           HN       LEU 125  -1.810   3.697   2.002
  124    HA   LEU 125           HA       LEU 125   0.018   1.532   2.313
  125    HB2  LEU 125           HB2      LEU 125  -0.408   2.368   0.156
  126    HB3  LEU 125           HB1      LEU 125  -0.216   4.015   0.679
  127    HG   LEU 125           HG       LEU 125   2.125   3.745   0.882
  128   HD11  LEU 125          HD11      LEU 125   3.173   1.593   0.129
  129   HD12  LEU 125          HD12      LEU 125   1.555   0.891   0.205
  130   HD13  LEU 125          HD13      LEU 125   2.319   1.505   1.673
  131   HD21  LEU 125          HD21      LEU 125   1.155   4.261  -1.309
  132   HD22  LEU 125          HD22      LEU 125   1.186   2.546  -1.661
  133   HD23  LEU 125          HD23      LEU 125   2.691   3.405  -1.420
  134    H    LEU 126           HN       LEU 126  -0.285   4.893   3.108
  135    HA   LEU 126           HA       LEU 126   2.195   5.584   4.030
  136    HB2  LEU 126           HB2      LEU 126  -0.566   6.340   4.707
  137    HB3  LEU 126           HB1      LEU 126   0.621   6.730   5.928
  138    HG   LEU 126           HG       LEU 126   0.768   7.628   3.049
  139   HD11  LEU 126          HD11      LEU 126  -1.112   8.666   4.188
  140   HD12  LEU 126          HD12      LEU 126   0.176   9.839   3.918
  141   HD13  LEU 126          HD13      LEU 126  -0.062   9.142   5.521
  142   HD21  LEU 126          HD21      LEU 126   2.390   8.424   5.467
  143   HD22  LEU 126          HD22      LEU 126   2.533   9.112   3.849
  144   HD23  LEU 126          HD23      LEU 126   2.952   7.422   4.128
  145    H    THR 127           HN       THR 127  -0.308   3.740   5.706
  146    HA   THR 127           HA       THR 127   1.128   3.405   8.139
  147    HB   THR 127           HB       THR 127  -0.509   1.404   8.380
  148    HG1  THR 127           HG1      THR 127  -2.035   1.210   6.865
  149   HG21  THR 127          HG21      THR 127  -2.463   3.157   8.550
  150   HG22  THR 127          HG22      THR 127  -1.163   4.314   8.273
  151   HG23  THR 127          HG23      THR 127  -1.096   3.227   9.661
  152    H    LEU 128           HN       LEU 128   1.244   1.913   5.064
  153    HA   LEU 128           HA       LEU 128   2.623  -0.456   6.071
  154    HB2  LEU 128           HB2      LEU 128   2.000   0.202   3.195
  155    HB3  LEU 128           HB1      LEU 128   2.396  -1.359   3.881
  156    HG   LEU 128           HG       LEU 128  -0.073   0.145   4.693
  157   HD11  LEU 128          HD11      LEU 128  -1.344  -0.909   3.073
  158   HD12  LEU 128          HD12      LEU 128  -0.079  -2.078   2.714
  159   HD13  LEU 128          HD13      LEU 128   0.096  -0.407   2.185
  160   HD21  LEU 128          HD21      LEU 128   0.426  -1.486   6.261
  161   HD22  LEU 128          HD22      LEU 128   1.016  -2.605   5.023
  162   HD23  LEU 128          HD23      LEU 128  -0.717  -2.289   5.176
  163    H    CYS 129           HN       CYS 129   3.430   2.602   5.367
  164    HA   CYS 129           HA       CYS 129   5.840   2.231   3.905
  165    HB2  CYS 129           HB2      CYS 129   4.878   4.550   5.582
  166    HB3  CYS 129           HB1      CYS 129   6.300   4.589   4.544
  167    HA   PRO 130           HA       PRO 130   8.008   2.556   8.151
  168    HB2  PRO 130           HB2      PRO 130   6.595   2.481  10.428
  169    HB3  PRO 130           HB1      PRO 130   6.794   3.975   9.504
  170    HG2  PRO 130           HG2      PRO 130   4.456   2.124   9.636
  171    HG3  PRO 130           HG1      PRO 130   4.484   3.894   9.571
  172    HD2  PRO 130           HD2      PRO 130   4.021   2.235   7.405
  173    HD3  PRO 130           HD1      PRO 130   4.579   3.913   7.292
  174    H    TYR 131           HN       TYR 131   8.178   0.345   7.054
  175    HA   TYR 131           HA       TYR 131   8.369  -1.635   9.043
  176    HB2  TYR 131           HB2      TYR 131   6.474  -2.825   8.900
  177    HB3  TYR 131           HB1      TYR 131   5.795  -1.478   7.997
  178    HD1  TYR 131           HD2      TYR 131   5.732  -1.565   5.523
  179    HD2  TYR 131           HD1      TYR 131   6.999  -4.898   7.835
  180    HE1  TYR 131           HE2      TYR 131   5.410  -3.025   3.572
  181    HE2  TYR 131           HE1      TYR 131   6.684  -6.373   5.891
  182    HH   TYR 131           HH       TYR 131   6.224  -5.194   2.744
  183    H    GLY 132           HN       GLY 132   9.769  -3.218   8.433
  184    HA2  GLY 132           HA2      GLY 132  11.251  -4.383   7.116
  185    HA3  GLY 132           HA1      GLY 132  10.209  -4.021   5.749
  186    H2   PRO  25           HT1      PRO  25 -14.537  17.849  -3.097
  187    H3   PRO  25           HT2      PRO  25 -14.524  18.196  -1.502
  188    HA   PRO  25           HA       PRO  25 -13.968  16.214  -1.115
  189    HB2  PRO  25           HB2      PRO  25 -16.264  14.772  -2.152
  190    HB3  PRO  25           HB1      PRO  25 -15.776  15.043  -0.473
  191    HG2  PRO  25           HG2      PRO  25 -17.940  16.247  -1.589
  192    HG3  PRO  25           HG1      PRO  25 -16.980  16.983  -0.293
  193    HD2  PRO  25           HD2      PRO  25 -16.880  17.498  -3.253
  194    HD3  PRO  25           HD1      PRO  25 -16.862  18.661  -1.914
  195    H    THR  26           HN       THR  26 -12.955  14.393  -1.952
  196    HA   THR  26           HA       THR  26 -13.189  13.933  -4.842
  197    HB   THR  26           HB       THR  26 -10.712  13.708  -4.999
  198    HG1  THR  26           HG1      THR  26  -9.905  15.167  -2.985
  199   HG21  THR  26          HG21      THR  26 -10.228  16.113  -5.020
  200   HG22  THR  26          HG22      THR  26 -11.697  16.416  -4.093
  201   HG23  THR  26          HG23      THR  26 -11.806  15.769  -5.729
  202    HA   PRO  27           HA       PRO  27 -13.177   9.697  -3.510
  203    HB2  PRO  27           HB2      PRO  27 -12.776   8.459  -5.865
  204    HB3  PRO  27           HB1      PRO  27 -14.289   9.295  -5.493
  205    HG2  PRO  27           HG2      PRO  27 -11.964  10.226  -7.130
  206    HG3  PRO  27           HG1      PRO  27 -13.699  10.390  -7.455
  207    HD2  PRO  27           HD2      PRO  27 -12.158  12.396  -6.416
  208    HD3  PRO  27           HD1      PRO  27 -13.899  12.239  -6.116
  209    H    GLU  28           HN       GLU  28 -11.785   8.021  -3.005
  210    HA   GLU  28           HA       GLU  28  -8.945   8.538  -3.565
  211    HB2  GLU  28           HB2      GLU  28  -8.601   7.006  -1.548
  212    HB3  GLU  28           HB1      GLU  28  -9.251   8.607  -1.237
  213    HG2  GLU  28           HG2      GLU  28 -11.515   7.639  -1.139
  214    HG3  GLU  28           HG1      GLU  28 -10.813   6.037  -1.367
  215    H    MET  29           HN       MET  29  -8.689   7.442  -5.485
  216    HA   MET  29           HA       MET  29  -9.634   4.760  -5.841
  217    HB2  MET  29           HB2      MET  29  -8.222   4.844  -7.931
  218    HB3  MET  29           HB1      MET  29  -9.467   6.080  -7.812
  219    HG2  MET  29           HG2      MET  29  -7.852   7.744  -7.230
  220    HG3  MET  29           HG1      MET  29  -6.579   6.532  -7.100
  221    HE1  MET  29           HE1      MET  29  -5.449   8.527 -10.249
  222    HE2  MET  29           HE2      MET  29  -5.026   7.975  -8.628
  223    HE3  MET  29           HE3      MET  29  -6.264   9.213  -8.843
  224    H    ARG  30           HN       ARG  30  -8.783   3.254  -4.535
  225    HA   ARG  30           HA       ARG  30  -5.973   3.293  -3.844
  226    HB2  ARG  30           HB2      ARG  30  -7.192   0.854  -3.027
  227    HB3  ARG  30           HB1      ARG  30  -6.671   2.201  -2.034
  228    HG2  ARG  30           HG2      ARG  30  -8.916   3.260  -2.590
  229    HG3  ARG  30           HG1      ARG  30  -9.377   1.661  -3.174
  230    HD2  ARG  30           HD2      ARG  30  -8.282   1.063  -0.765
  231    HD3  ARG  30           HD1      ARG  30  -9.003   2.637  -0.437
  232    HE   ARG  30           HE       ARG  30 -10.884   1.060  -1.783
  233   HH11  ARG  30          HH11      ARG  30  -9.263   1.225   1.297
  234   HH12  ARG  30          HH12      ARG  30 -10.549   0.450   2.159
  235   HH21  ARG  30          HH21      ARG  30 -12.581   0.038  -0.657
  236   HH22  ARG  30          HH22      ARG  30 -12.435  -0.225   1.049
  237    H    GLU  31           HN       GLU  31  -4.407   2.178  -4.794
  238    HA   GLU  31           HA       GLU  31  -5.031   0.543  -7.098
  239    HB2  GLU  31           HB2      GLU  31  -2.271   0.911  -5.987
  240    HB3  GLU  31           HB1      GLU  31  -2.769   0.679  -7.657
  241    HG2  GLU  31           HG2      GLU  31  -3.622   2.905  -7.792
  242    HG3  GLU  31           HG1      GLU  31  -3.369   3.156  -6.066
  243    H    LYS  32           HN       LYS  32  -5.178  -1.628  -7.075
  244    HA   LYS  32           HA       LYS  32  -4.900  -3.090  -4.689
  245    HB2  LYS  32           HB2      LYS  32  -5.226  -3.869  -7.549
  246    HB3  LYS  32           HB1      LYS  32  -5.061  -5.058  -6.284
  247    HG2  LYS  32           HG2      LYS  32  -7.000  -3.718  -5.165
  248    HG3  LYS  32           HG1      LYS  32  -7.297  -3.182  -6.821
  249    HD2  LYS  32           HD2      LYS  32  -7.204  -5.652  -7.438
  250    HD3  LYS  32           HD1      LYS  32  -7.352  -5.970  -5.712
  251    HE2  LYS  32           HE2      LYS  32  -9.300  -4.465  -7.453
  252    HE3  LYS  32           HE1      LYS  32  -9.539  -6.052  -6.722
  253    HZ1  LYS  32           HZ1      LYS  32 -10.670  -4.384  -5.440
  254    HZ2  LYS  32           HZ2      LYS  32  -9.254  -3.475  -5.277
  255    HZ3  LYS  32           HZ3      LYS  32  -9.376  -4.987  -4.531
  256    H    LEU  33           HN       LEU  33  -3.098  -3.589  -3.759
  257    HA   LEU  33           HA       LEU  33  -0.670  -3.954  -5.374
  258    HB2  LEU  33           HB2      LEU  33  -0.715  -3.388  -2.433
  259    HB3  LEU  33           HB1      LEU  33   0.604  -3.188  -3.562
  260    HG   LEU  33           HG       LEU  33  -1.867  -1.475  -3.383
  261   HD11  LEU  33          HD11      LEU  33  -0.268  -1.034  -1.629
  262   HD12  LEU  33          HD12      LEU  33  -0.256   0.280  -2.792
  263   HD13  LEU  33          HD13      LEU  33   1.030  -0.914  -2.812
  264   HD21  LEU  33          HD21      LEU  33  -0.917  -1.917  -5.723
  265   HD22  LEU  33          HD22      LEU  33   0.444  -0.948  -5.177
  266   HD23  LEU  33          HD23      LEU  33  -1.164  -0.248  -5.217
  267    H    CYS  34           HN       CYS  34   0.497  -5.792  -5.220
  268    HA   CYS  34           HA       CYS  34  -0.121  -7.718  -3.119
  269    HB2  CYS  34           HB2      CYS  34  -1.600  -8.039  -5.250
  270    HB3  CYS  34           HB1      CYS  34  -0.135  -8.725  -5.940
  271    H    GLY  35           HN       GLY  35   1.561  -7.788  -6.255
  272    HA2  GLY  35           HA2      GLY  35   3.929  -8.857  -4.888
  273    HA3  GLY  35           HA1      GLY  35   3.617  -8.935  -6.617
  274    H    HIS  36           HN       HIS  36   4.446  -7.393  -7.919
  275    HA   HIS  36           HA       HIS  36   6.354  -5.565  -6.843
  276    HB2  HIS  36           HB2      HIS  36   6.511  -4.760  -9.225
  277    HB3  HIS  36           HB1      HIS  36   6.789  -6.486  -9.013
  278    HD1  HIS  36           HD1      HIS  36   5.024  -8.100 -10.037
  279    HD2  HIS  36           HD2      HIS  36   4.213  -4.070 -10.629
  280    HE1  HIS  36           HE1      HIS  36   3.188  -7.994 -11.773
  281    H    HIS  37           HN       HIS  37   2.990  -5.420  -7.501
  282    HA   HIS  37           HA       HIS  37   2.660  -2.663  -7.959
  283    HB2  HIS  37           HB2      HIS  37   0.752  -4.563  -6.574
  284    HB3  HIS  37           HB1      HIS  37   0.334  -3.004  -7.276
  285    HD1  HIS  37           HD1      HIS  37   0.085  -6.444  -8.061
  286    HD2  HIS  37           HD2      HIS  37   1.146  -3.050 -10.210
  287    HE1  HIS  37           HE1      HIS  37  -0.219  -7.025 -10.504
  288    H    PHE  38           HN       PHE  38   2.641  -4.564  -4.955
  289    HA   PHE  38           HA       PHE  38   2.164  -2.380  -3.242
  290    HB2  PHE  38           HB2      PHE  38   2.083  -4.929  -2.727
  291    HB3  PHE  38           HB1      PHE  38   3.804  -4.768  -2.422
  292    HD1  PHE  38           HD1      PHE  38   1.115  -2.339  -1.569
  293    HD2  PHE  38           HD2      PHE  38   3.952  -5.145  -0.111
  294    HE1  PHE  38           HE1      PHE  38   0.600  -1.672   0.723
  295    HE2  PHE  38           HE2      PHE  38   3.455  -4.469   2.185
  296    HZ   PHE  38           HZ       PHE  38   1.774  -2.729   2.611
  297    H    VAL  39           HN       VAL  39   5.216  -4.170  -3.584
  298    HA   VAL  39           HA       VAL  39   6.997  -2.535  -2.409
  299    HB   VAL  39           HB       VAL  39   7.234  -4.148  -4.936
  300   HG11  VAL  39          HG11      VAL  39   9.694  -3.867  -4.796
  301   HG12  VAL  39          HG12      VAL  39   9.440  -2.576  -3.621
  302   HG13  VAL  39          HG13      VAL  39   8.838  -2.400  -5.268
  303   HG21  VAL  39          HG21      VAL  39   8.614  -5.586  -3.504
  304   HG22  VAL  39          HG22      VAL  39   6.993  -5.357  -2.849
  305   HG23  VAL  39          HG23      VAL  39   8.355  -4.477  -2.157
  306    H    ARG  40           HN       ARG  40   5.566  -1.945  -5.600
  307    HA   ARG  40           HA       ARG  40   7.229   0.273  -6.235
  308    HB2  ARG  40           HB2      ARG  40   5.778  -1.182  -7.796
  309    HB3  ARG  40           HB1      ARG  40   4.443  -0.160  -7.295
  310    HG2  ARG  40           HG2      ARG  40   5.760   1.803  -8.045
  311    HG3  ARG  40           HG1      ARG  40   6.949   0.690  -8.716
  312    HD2  ARG  40           HD2      ARG  40   5.220  -0.290 -10.144
  313    HD3  ARG  40           HD1      ARG  40   4.031   0.825  -9.473
  314    HE   ARG  40           HE       ARG  40   6.388   1.750 -10.986
  315   HH11  ARG  40          HH11      ARG  40   2.968   1.803 -10.308
  316   HH12  ARG  40          HH12      ARG  40   2.636   3.083 -11.425
  317   HH21  ARG  40          HH21      ARG  40   5.959   3.435 -12.458
  318   HH22  ARG  40          HH22      ARG  40   4.336   4.012 -12.648
  319    H    ALA  41           HN       ALA  41   3.737   0.193  -5.467
  320    HA   ALA  41           HA       ALA  41   3.325   2.862  -5.013
  321    HB1  ALA  41           HB1      ALA  41   1.364   2.288  -3.897
  322    HB2  ALA  41           HB2      ALA  41   2.081   0.855  -3.156
  323    HB3  ALA  41           HB3      ALA  41   1.681   0.853  -4.877
  324    H    LEU  42           HN       LEU  42   4.796   0.484  -2.965
  325    HA   LEU  42           HA       LEU  42   5.004   1.907  -0.569
  326    HB2  LEU  42           HB2      LEU  42   6.303  -0.424  -1.832
  327    HB3  LEU  42           HB1      LEU  42   7.229   0.341  -0.587
  328    HG   LEU  42           HG       LEU  42   5.999  -1.545   0.280
  329   HD11  LEU  42          HD11      LEU  42   5.281  -0.530   2.197
  330   HD12  LEU  42          HD12      LEU  42   4.485   0.746   1.288
  331   HD13  LEU  42          HD13      LEU  42   6.232   0.786   1.491
  332   HD21  LEU  42          HD21      LEU  42   4.178  -1.612  -1.247
  333   HD22  LEU  42          HD22      LEU  42   3.647  -0.021  -0.715
  334   HD23  LEU  42          HD23      LEU  42   3.542  -1.391   0.380
  335    H    VAL  43           HN       VAL  43   7.543   1.280  -2.982
  336    HA   VAL  43           HA       VAL  43   9.433   3.056  -2.102
  337    HB   VAL  43           HB       VAL  43   9.494   1.230  -3.941
  338   HG11  VAL  43          HG11      VAL  43   8.578   3.619  -5.451
  339   HG12  VAL  43          HG12      VAL  43   8.129   1.924  -5.627
  340   HG13  VAL  43          HG13      VAL  43   9.694   2.487  -6.209
  341   HG21  VAL  43          HG21      VAL  43  11.537   2.188  -4.844
  342   HG22  VAL  43          HG22      VAL  43  11.418   2.392  -3.096
  343   HG23  VAL  43          HG23      VAL  43  11.101   3.758  -4.165
  344    H    ARG  44           HN       ARG  44   6.423   3.826  -3.415
  345    HA   ARG  44           HA       ARG  44   7.184   6.322  -4.634
  346    HB2  ARG  44           HB2      ARG  44   5.310   5.248  -5.596
  347    HB3  ARG  44           HB1      ARG  44   4.543   5.042  -4.034
  348    HG2  ARG  44           HG2      ARG  44   4.416   7.562  -3.912
  349    HG3  ARG  44           HG1      ARG  44   4.866   7.563  -5.613
  350    HD2  ARG  44           HD2      ARG  44   2.919   6.176  -6.132
  351    HD3  ARG  44           HD1      ARG  44   2.466   6.176  -4.427
  352    HE   ARG  44           HE       ARG  44   2.710   8.827  -5.396
  353   HH11  ARG  44          HH11      ARG  44   0.615   6.043  -5.502
  354   HH12  ARG  44          HH12      ARG  44  -0.817   6.974  -5.785
  355   HH21  ARG  44          HH21      ARG  44   0.829  10.059  -5.767
  356   HH22  ARG  44          HH22      ARG  44  -0.698   9.257  -5.933
  357    H    VAL  45           HN       VAL  45   4.808   5.734  -2.056
  358    HA   VAL  45           HA       VAL  45   5.359   8.372  -0.968
  359    HB   VAL  45           HB       VAL  45   3.115   8.175  -0.799
  360   HG11  VAL  45          HG11      VAL  45   2.776   6.166  -1.918
  361   HG12  VAL  45          HG12      VAL  45   1.979   5.926  -0.355
  362   HG13  VAL  45          HG13      VAL  45   3.568   5.220  -0.659
  363   HG21  VAL  45          HG21      VAL  45   4.017   6.742   1.693
  364   HG22  VAL  45          HG22      VAL  45   2.342   7.217   1.410
  365   HG23  VAL  45          HG23      VAL  45   3.607   8.448   1.502
  366    H    CYS  46           HN       CYS  46   5.977   5.051  -0.188
  367    HA   CYS  46           HA       CYS  46   6.870   5.657   2.503
  368    HB2  CYS  46           HB2      CYS  46   7.134   3.023   1.052
  369    HB3  CYS  46           HB1      CYS  46   7.075   3.307   2.793
  370    H    GLY  47           HN       GLY  47   8.266   4.828  -0.626
  371    HA2  GLY  47           HA2      GLY  47  10.476   4.587  -1.288
  372    HA3  GLY  47           HA1      GLY  47  10.590   6.163  -0.523
  373    H    GLY  48           HN       GLY  48  10.193   2.899   0.853
  374    HA2  GLY  48           HA2      GLY  48  11.898   3.351   3.031
  375    HA3  GLY  48           HA1      GLY  48  11.427   1.768   2.430
  376    HA   PRO  49           HA       PRO  49  15.977   2.708   1.521
  377    HB2  PRO  49           HB2      PRO  49  16.763   1.083   3.798
  378    HB3  PRO  49           HB1      PRO  49  17.155   2.769   3.450
  379    HG2  PRO  49           HG2      PRO  49  15.522   2.034   5.490
  380    HG3  PRO  49           HG1      PRO  49  15.341   3.569   4.618
  381    HD2  PRO  49           HD2      PRO  49  13.832   1.002   4.258
  382    HD3  PRO  49           HD1      PRO  49  13.203   2.662   4.334
  383    H    LYS  50           HN       LYS  50  13.936   0.034   1.796
  384    HA   LYS  50           HA       LYS  50  15.984  -1.854   0.970
  385    HB2  LYS  50           HB2      LYS  50  13.746  -3.337   0.861
  386    HB3  LYS  50           HB1      LYS  50  14.764  -3.167   2.281
  387    HG2  LYS  50           HG2      LYS  50  12.474  -1.320   1.768
  388    HG3  LYS  50           HG1      LYS  50  12.277  -2.883   2.551
  389    HD2  LYS  50           HD2      LYS  50  13.827  -2.271   4.288
  390    HD3  LYS  50           HD1      LYS  50  14.164  -0.740   3.473
  391    HE2  LYS  50           HE2      LYS  50  12.637  -0.189   5.177
  392    HE3  LYS  50           HE1      LYS  50  11.662  -0.271   3.712
  393    HZ1  LYS  50           HZ       LYS  50  10.484  -1.960   4.677
  394    H    TRP  51           HN       TRP  51  12.653  -1.703  -0.133
  395    HA   TRP  51           HA       TRP  51  13.065  -2.572  -2.706
  396    HB2  TRP  51           HB2      TRP  51  10.921  -0.993  -3.107
  397    HB3  TRP  51           HB1      TRP  51  10.830  -2.544  -2.279
  398    HD1  TRP  51           HD1      TRP  51  11.696   1.051  -1.054
  399    HE1  TRP  51           HE1      TRP  51  10.334   1.496   1.079
  400    HE3  TRP  51           HE3      TRP  51   9.165  -3.378  -0.745
  401    HZ2  TRP  51           HZ2      TRP  51   8.459   0.167   2.689
  402    HZ3  TRP  51           HZ3      TRP  51   7.606  -3.717   1.132
  403    HH2  TRP  51           HH2      TRP  51   7.253  -1.975   2.815
  Start of MODEL    6
    1    H1   ALA 106           HT1      ALA 106  -9.261  -0.809  10.424
    2    H2   ALA 106           HT2      ALA 106  -8.967  -1.651  11.862
    3    H3   ALA 106           HT3      ALA 106  -9.590  -0.079  11.915
    4    HA   ALA 106           HA       ALA 106 -11.313  -1.693  12.369
    5    HB1  ALA 106           HB1      ALA 106 -12.932  -0.928  10.692
    6    HB2  ALA 106           HB2      ALA 106 -11.607  -0.307   9.707
    7    HB3  ALA 106           HB3      ALA 106 -11.932   0.394  11.292
    8    H    ALA 107           HN       ALA 107 -10.400  -3.827  12.224
    9    HA   ALA 107           HA       ALA 107 -10.238  -5.944  11.406
   10    HB1  ALA 107           HB1      ALA 107 -12.074  -6.717  10.002
   11    HB2  ALA 107           HB2      ALA 107 -12.536  -5.048   9.668
   12    HB3  ALA 107           HB3      ALA 107 -12.669  -5.689  11.305
   13    H    ALA 108           HN       ALA 108  -8.149  -5.456  10.499
   14    HA   ALA 108           HA       ALA 108  -8.177  -5.417   7.551
   15    HB1  ALA 108           HB1      ALA 108  -7.307  -3.315   8.446
   16    HB2  ALA 108           HB2      ALA 108  -6.052  -4.221   7.602
   17    HB3  ALA 108           HB3      ALA 108  -6.094  -4.206   9.365
   18    H    THR 109           HN       THR 109  -7.102  -7.001   6.531
   19    HA   THR 109           HA       THR 109  -5.985  -9.147   8.110
   20    HB   THR 109           HB       THR 109  -5.885 -10.411   6.070
   21    HG1  THR 109           HG1      THR 109  -5.115  -9.026   4.548
   22   HG21  THR 109          HG21      THR 109  -8.359  -8.682   6.097
   23   HG22  THR 109          HG22      THR 109  -8.115 -10.173   7.005
   24   HG23  THR 109          HG23      THR 109  -8.200 -10.217   5.244
   25    H    ASN 110           HN       ASN 110  -4.003 -10.144   6.433
   26    HA   ASN 110           HA       ASN 110  -1.707  -8.945   7.332
   27    HB2  ASN 110           HB2      ASN 110  -2.128 -10.546   4.803
   28    HB3  ASN 110           HB1      ASN 110  -0.546 -10.151   5.468
   29   HD21  ASN 110          HD21      ASN 110  -3.437 -12.025   5.857
   30   HD22  ASN 110          HD22      ASN 110  -2.827 -13.092   7.072
   31    HA   PRO 111           HA       PRO 111  -0.719  -5.220   5.225
   32    HB2  PRO 111           HB2      PRO 111   1.759  -6.570   4.238
   33    HB3  PRO 111           HB1      PRO 111   1.575  -5.021   5.060
   34    HG2  PRO 111           HG2      PRO 111   2.463  -7.121   6.392
   35    HG3  PRO 111           HG1      PRO 111   1.294  -6.018   7.145
   36    HD2  PRO 111           HD2      PRO 111   0.848  -8.728   5.951
   37    HD3  PRO 111           HD1      PRO 111   0.127  -8.004   7.405
   38    H    ALA 112           HN       ALA 112   1.317  -6.628   2.885
   39    HA   ALA 112           HA       ALA 112   0.125  -5.551   0.681
   40    HB1  ALA 112           HB1      ALA 112   1.711  -8.110   0.800
   41    HB2  ALA 112           HB2      ALA 112   2.365  -6.477   0.662
   42    HB3  ALA 112           HB3      ALA 112   1.404  -7.156  -0.652
   43    H    ARG 113           HN       ARG 113  -0.657  -8.619   2.224
   44    HA   ARG 113           HA       ARG 113  -2.209  -9.744   0.201
   45    HB2  ARG 113           HB2      ARG 113  -2.356  -9.973   3.202
   46    HB3  ARG 113           HB1      ARG 113  -3.383 -10.907   2.131
   47    HG2  ARG 113           HG2      ARG 113  -1.600 -12.325   2.677
   48    HG3  ARG 113           HG1      ARG 113  -1.254 -11.750   1.046
   49    HD2  ARG 113           HD2      ARG 113   0.254 -10.049   1.993
   50    HD3  ARG 113           HD1      ARG 113  -0.064 -10.685   3.606
   51    HE   ARG 113           HE       ARG 113   0.993 -12.549   1.636
   52   HH11  ARG 113          HH11      ARG 113   1.596 -10.459   4.359
   53   HH12  ARG 113          HH12      ARG 113   3.105 -11.208   4.763
   54   HH21  ARG 113          HH21      ARG 113   2.978 -13.540   2.161
   55   HH22  ARG 113          HH22      ARG 113   3.892 -12.957   3.512
   56    H    TYR 114           HN       TYR 114  -3.102  -7.536   2.831
   57    HA   TYR 114           HA       TYR 114  -5.863  -7.421   2.147
   58    HB2  TYR 114           HB2      TYR 114  -5.545  -6.697   4.308
   59    HB3  TYR 114           HB1      TYR 114  -4.041  -5.866   3.931
   60    HD1  TYR 114           HD1      TYR 114  -7.648  -5.628   2.991
   61    HD2  TYR 114           HD2      TYR 114  -4.111  -3.587   4.173
   62    HE1  TYR 114           HE1      TYR 114  -8.875  -3.512   2.982
   63    HE2  TYR 114           HE2      TYR 114  -5.334  -1.461   4.168
   64    HH   TYR 114           HH       TYR 114  -7.345  -0.489   3.127
   65    H    CYS 115           HN       CYS 115  -3.093  -5.352   1.401
   66    HA   CYS 115           HA       CYS 115  -4.589  -3.440  -0.078
   67    HB2  CYS 115           HB2      CYS 115  -1.631  -4.053  -0.034
   68    HB3  CYS 115           HB1      CYS 115  -2.349  -2.661  -0.839
   69    H    CYS 116           HN       CYS 116  -3.833  -6.588  -0.778
   70    HA   CYS 116           HA       CYS 116  -3.621  -6.125  -3.666
   71    HB2  CYS 116           HB2      CYS 116  -1.951  -7.633  -3.012
   72    HB3  CYS 116           HB1      CYS 116  -3.006  -8.460  -1.873
   73    H    LEU 117           HN       LEU 117  -5.803  -7.195  -1.223
   74    HA   LEU 117           HA       LEU 117  -7.613  -8.333  -3.231
   75    HB2  LEU 117           HB2      LEU 117  -7.534  -8.582  -0.246
   76    HB3  LEU 117           HB1      LEU 117  -8.876  -9.159  -1.211
   77    HG   LEU 117           HG       LEU 117  -6.028 -10.121  -1.496
   78   HD11  LEU 117          HD11      LEU 117  -6.819 -12.168  -0.409
   79   HD12  LEU 117          HD12      LEU 117  -8.384 -11.406  -0.123
   80   HD13  LEU 117          HD13      LEU 117  -6.937 -10.771   0.661
   81   HD21  LEU 117          HD21      LEU 117  -7.058 -11.917  -2.825
   82   HD22  LEU 117          HD22      LEU 117  -7.302 -10.328  -3.548
   83   HD23  LEU 117          HD23      LEU 117  -8.620 -11.112  -2.677
   84    H    SER 118           HN       SER 118  -8.074  -6.516  -0.194
   85    HA   SER 118           HA       SER 118 -10.450  -5.296  -1.299
   86    HB2  SER 118           HB2      SER 118 -10.427  -6.057   1.042
   87    HB3  SER 118           HB1      SER 118  -9.141  -4.905   1.402
   88    HG   SER 118           HG       SER 118 -11.249  -4.130   1.945
   89    H    GLY 119           HN       GLY 119  -7.655  -4.634  -2.278
   90    HA2  GLY 119           HA2      GLY 119  -6.691  -2.755  -3.193
   91    HA3  GLY 119           HA1      GLY 119  -8.134  -1.875  -2.735
   92    H    CYS 120           HN       CYS 120  -6.177  -0.321  -2.514
   93    HA   CYS 120           HA       CYS 120  -5.888   0.280   0.227
   94    HB2  CYS 120           HB2      CYS 120  -3.872  -1.457  -0.908
   95    HB3  CYS 120           HB1      CYS 120  -3.161   0.061  -0.374
   96    H    THR 121           HN       THR 121  -5.707   2.429   0.332
   97    HA   THR 121           HA       THR 121  -5.001   3.889  -2.078
   98    HB   THR 121           HB       THR 121  -5.906   5.824  -1.065
   99    HG1  THR 121           HG1      THR 121  -5.044   4.645   1.224
  100   HG21  THR 121          HG21      THR 121  -7.515   3.869  -1.574
  101   HG22  THR 121          HG22      THR 121  -8.112   5.204  -0.589
  102   HG23  THR 121          HG23      THR 121  -7.621   3.696   0.178
  103    H    GLN 122           HN       GLN 122  -3.698   5.983  -1.673
  104    HA   GLN 122           HA       GLN 122  -1.057   5.327  -1.096
  105    HB2  GLN 122           HB2      GLN 122  -1.790   7.292  -2.422
  106    HB3  GLN 122           HB1      GLN 122  -2.345   8.063  -0.948
  107    HG2  GLN 122           HG2      GLN 122   0.035   7.856  -0.109
  108    HG3  GLN 122           HG1      GLN 122   0.470   7.437  -1.765
  109   HE21  GLN 122          HE21      GLN 122   1.184   9.748  -0.072
  110   HE22  GLN 122          HE22      GLN 122   0.736  11.143  -0.989
  111    H    GLN 123           HN       GLN 123  -3.590   6.459   1.010
  112    HA   GLN 123           HA       GLN 123  -1.816   7.070   3.196
  113    HB2  GLN 123           HB2      GLN 123  -4.825   6.739   3.109
  114    HB3  GLN 123           HB1      GLN 123  -3.918   7.322   4.496
  115    HG2  GLN 123           HG2      GLN 123  -4.097   8.647   1.801
  116    HG3  GLN 123           HG1      GLN 123  -4.915   9.161   3.276
  117   HE21  GLN 123          HE21      GLN 123  -1.885   8.968   1.590
  118   HE22  GLN 123          HE22      GLN 123  -1.013  10.054   2.611
  119    H    ASP 124           HN       ASP 124  -3.680   4.310   2.134
  120    HA   ASP 124           HA       ASP 124  -3.379   2.859   4.610
  121    HB2  ASP 124           HB2      ASP 124  -4.246   1.931   1.858
  122    HB3  ASP 124           HB1      ASP 124  -4.294   0.938   3.311
  123    H    LEU 125           HN       LEU 125  -1.582   3.528   1.861
  124    HA   LEU 125           HA       LEU 125   0.237   1.297   2.045
  125    HB2  LEU 125           HB2      LEU 125   0.241   1.812  -0.125
  126    HB3  LEU 125           HB1      LEU 125  -0.736   3.207   0.173
  127    HG   LEU 125           HG       LEU 125   1.285   4.531   0.513
  128   HD11  LEU 125          HD11      LEU 125   3.391   3.349  -0.432
  129   HD12  LEU 125          HD12      LEU 125   2.505   1.883  -0.020
  130   HD13  LEU 125          HD13      LEU 125   2.927   3.032   1.242
  131   HD21  LEU 125          HD21      LEU 125   0.196   4.398  -1.657
  132   HD22  LEU 125          HD22      LEU 125   1.146   2.969  -2.017
  133   HD23  LEU 125          HD23      LEU 125   1.942   4.514  -1.847
  134    H    LEU 126           HN       LEU 126  -0.051   4.679   2.610
  135    HA   LEU 126           HA       LEU 126   2.527   5.393   3.355
  136    HB2  LEU 126           HB2      LEU 126   1.400   7.335   3.348
  137    HB3  LEU 126           HB1      LEU 126  -0.124   6.488   3.416
  138    HG   LEU 126           HG       LEU 126   0.351   6.313   5.956
  139   HD11  LEU 126          HD11      LEU 126   2.094   8.659   5.222
  140   HD12  LEU 126          HD12      LEU 126   2.649   7.117   5.875
  141   HD13  LEU 126          HD13      LEU 126   1.638   8.178   6.857
  142   HD21  LEU 126          HD21      LEU 126  -0.598   8.654   6.245
  143   HD22  LEU 126          HD22      LEU 126  -1.514   7.519   5.254
  144   HD23  LEU 126          HD23      LEU 126  -0.532   8.768   4.484
  145    H    THR 127           HN       THR 127  -0.140   4.078   5.241
  146    HA   THR 127           HA       THR 127   1.114   4.322   7.762
  147    HB   THR 127           HB       THR 127  -1.278   4.236   7.614
  148    HG1  THR 127           HG1      THR 127  -1.574   2.856   9.326
  149   HG21  THR 127          HG21      THR 127  -2.468   2.245   6.936
  150   HG22  THR 127          HG22      THR 127  -0.947   1.392   6.671
  151   HG23  THR 127          HG23      THR 127  -1.383   2.755   5.643
  152    H    LEU 128           HN       LEU 128   1.217   1.801   5.318
  153    HA   LEU 128           HA       LEU 128   2.275  -0.126   7.173
  154    HB2  LEU 128           HB2      LEU 128   1.690  -0.166   4.253
  155    HB3  LEU 128           HB1      LEU 128   2.919  -1.261   4.853
  156    HG   LEU 128           HG       LEU 128   0.366  -1.202   6.347
  157   HD11  LEU 128          HD11      LEU 128  -0.825  -2.554   4.854
  158   HD12  LEU 128          HD12      LEU 128   0.580  -2.771   3.815
  159   HD13  LEU 128          HD13      LEU 128  -0.223  -1.205   3.888
  160   HD21  LEU 128          HD21      LEU 128   2.224  -2.579   7.057
  161   HD22  LEU 128          HD22      LEU 128   2.259  -3.345   5.471
  162   HD23  LEU 128          HD23      LEU 128   0.870  -3.583   6.530
  163    H    CYS 129           HN       CYS 129   3.568   2.317   5.107
  164    HA   CYS 129           HA       CYS 129   5.994   1.968   4.407
  165    HB2  CYS 129           HB2      CYS 129   5.279   4.207   4.653
  166    HB3  CYS 129           HB1      CYS 129   5.176   4.061   6.402
  167    HA   PRO 130           HA       PRO 130   8.252   1.303   8.538
  168    HB2  PRO 130           HB2      PRO 130   6.955   1.299  10.884
  169    HB3  PRO 130           HB1      PRO 130   7.441   2.803  10.092
  170    HG2  PRO 130           HG2      PRO 130   4.760   1.484  10.173
  171    HG3  PRO 130           HG1      PRO 130   5.167   3.203  10.314
  172    HD2  PRO 130           HD2      PRO 130   4.271   2.006   8.005
  173    HD3  PRO 130           HD1      PRO 130   5.237   3.488   8.045
  174    H    TYR 131           HN       TYR 131   8.279  -0.800   7.526
  175    HA   TYR 131           HA       TYR 131   7.566  -2.866   9.366
  176    HB2  TYR 131           HB2      TYR 131   5.955  -4.046   8.211
  177    HB3  TYR 131           HB1      TYR 131   5.472  -2.394   7.866
  178    HD1  TYR 131           HD1      TYR 131   7.115  -5.396   6.467
  179    HD2  TYR 131           HD2      TYR 131   5.452  -1.571   5.622
  180    HE1  TYR 131           HE1      TYR 131   7.172  -5.905   4.063
  181    HE2  TYR 131           HE2      TYR 131   5.515  -2.065   3.223
  182    HH   TYR 131           HH       TYR 131   6.687  -3.528   1.667
  183    H    GLY 132           HN       GLY 132   8.719  -2.015   6.144
  184    HA2  GLY 132           HA2      GLY 132  10.692  -4.203   6.377
  185    HA3  GLY 132           HA1      GLY 132  10.000  -3.694   4.845
  186    H2   PRO  25           HT1      PRO  25 -14.546  14.629  -0.314
  187    H3   PRO  25           HT2      PRO  25 -14.137  15.847  -1.319
  188    HA   PRO  25           HA       PRO  25 -12.229  15.877  -0.460
  189    HB2  PRO  25           HB2      PRO  25 -12.872  16.531   2.299
  190    HB3  PRO  25           HB1      PRO  25 -12.094  17.529   1.061
  191    HG2  PRO  25           HG2      PRO  25 -14.617  17.993   1.944
  192    HG3  PRO  25           HG1      PRO  25 -14.086  18.367   0.294
  193    HD2  PRO  25           HD2      PRO  25 -15.637  15.993   1.292
  194    HD3  PRO  25           HD1      PRO  25 -15.919  16.987  -0.148
  195    H    THR  26           HN       THR  26 -13.478  13.339  -0.388
  196    HA   THR  26           HA       THR  26 -11.883  12.080   1.707
  197    HB   THR  26           HB       THR  26 -14.684  11.264   1.196
  198    HG1  THR  26           HG1      THR  26 -14.048  12.657   3.540
  199   HG21  THR  26          HG21      THR  26 -14.492  10.145   3.391
  200   HG22  THR  26          HG22      THR  26 -12.827  10.711   3.512
  201   HG23  THR  26          HG23      THR  26 -13.279   9.564   2.253
  202    HA   PRO  27           HA       PRO  27 -12.382   9.853  -2.579
  203    HB2  PRO  27           HB2      PRO  27 -10.017  10.701  -3.691
  204    HB3  PRO  27           HB1      PRO  27 -11.584  11.456  -3.999
  205    HG2  PRO  27           HG2      PRO  27  -9.405  12.299  -2.138
  206    HG3  PRO  27           HG1      PRO  27 -10.458  13.296  -3.159
  207    HD2  PRO  27           HD2      PRO  27 -10.884  12.996  -0.488
  208    HD3  PRO  27           HD1      PRO  27 -12.207  13.219  -1.627
  209    H    GLU  28           HN       GLU  28 -11.794   7.807  -2.296
  210    HA   GLU  28           HA       GLU  28  -9.070   7.220  -1.379
  211    HB2  GLU  28           HB2      GLU  28 -10.124   5.283  -0.056
  212    HB3  GLU  28           HB1      GLU  28 -10.238   6.900   0.622
  213    HG2  GLU  28           HG2      GLU  28 -12.525   7.087  -0.250
  214    HG3  GLU  28           HG1      GLU  28 -12.404   5.445  -0.879
  215    H    MET  29           HN       MET  29  -8.518   6.662  -3.497
  216    HA   MET  29           HA       MET  29 -10.000   4.572  -4.851
  217    HB2  MET  29           HB2      MET  29  -7.535   6.147  -5.592
  218    HB3  MET  29           HB1      MET  29  -8.214   4.882  -6.604
  219    HG2  MET  29           HG2      MET  29 -10.274   6.120  -6.834
  220    HG3  MET  29           HG1      MET  29  -9.679   7.360  -5.732
  221    HE1  MET  29           HE1      MET  29  -6.702   7.800  -6.556
  222    HE2  MET  29           HE2      MET  29  -7.847   9.119  -6.312
  223    HE3  MET  29           HE3      MET  29  -6.857   9.070  -7.770
  224    H    ARG  30           HN       ARG  30  -9.630   2.961  -3.180
  225    HA   ARG  30           HA       ARG  30  -7.136   2.019  -2.374
  226    HB2  ARG  30           HB2      ARG  30  -9.885   0.937  -2.450
  227    HB3  ARG  30           HB1      ARG  30  -8.595  -0.240  -2.283
  228    HG2  ARG  30           HG2      ARG  30  -9.010   0.178  -0.099
  229    HG3  ARG  30           HG1      ARG  30  -7.814   1.438  -0.400
  230    HD2  ARG  30           HD2      ARG  30  -9.751   2.967  -0.934
  231    HD3  ARG  30           HD1      ARG  30 -10.809   1.708  -0.300
  232    HE   ARG  30           HE       ARG  30  -8.738   3.069   1.298
  233   HH11  ARG  30          HH11      ARG  30 -11.860   1.554   0.977
  234   HH12  ARG  30          HH12      ARG  30 -12.308   1.837   2.626
  235   HH21  ARG  30          HH21      ARG  30  -9.320   3.442   3.470
  236   HH22  ARG  30          HH22      ARG  30 -10.866   2.910   4.042
  237    H    GLU  31           HN       GLU  31  -5.612   1.708  -3.954
  238    HA   GLU  31           HA       GLU  31  -6.181   0.286  -6.371
  239    HB2  GLU  31           HB2      GLU  31  -3.393   0.605  -5.311
  240    HB3  GLU  31           HB1      GLU  31  -3.966   0.652  -6.972
  241    HG2  GLU  31           HG2      GLU  31  -4.971   2.825  -6.601
  242    HG3  GLU  31           HG1      GLU  31  -4.473   2.783  -4.910
  243    H    LYS  32           HN       LYS  32  -5.772  -1.850  -6.868
  244    HA   LYS  32           HA       LYS  32  -5.641  -3.672  -4.667
  245    HB2  LYS  32           HB2      LYS  32  -5.896  -3.899  -7.622
  246    HB3  LYS  32           HB1      LYS  32  -5.557  -5.324  -6.665
  247    HG2  LYS  32           HG2      LYS  32  -7.630  -4.242  -5.284
  248    HG3  LYS  32           HG1      LYS  32  -8.033  -3.795  -6.944
  249    HD2  LYS  32           HD2      LYS  32  -7.699  -6.172  -7.591
  250    HD3  LYS  32           HD1      LYS  32  -7.490  -6.564  -5.885
  251    HE2  LYS  32           HE2      LYS  32  -9.733  -5.742  -5.405
  252    HE3  LYS  32           HE1      LYS  32  -9.946  -5.299  -7.099
  253    HZ1  LYS  32           HZ1      LYS  32  -9.721  -7.639  -7.692
  254    HZ2  LYS  32           HZ2      LYS  32 -11.005  -7.405  -6.616
  255    HZ3  LYS  32           HZ3      LYS  32  -9.546  -8.054  -6.060
  256    H    LEU  33           HN       LEU  33  -3.484  -2.371  -4.363
  257    HA   LEU  33           HA       LEU  33  -1.149  -2.957  -5.727
  258    HB2  LEU  33           HB2      LEU  33  -1.442  -2.456  -2.764
  259    HB3  LEU  33           HB1      LEU  33   0.000  -2.197  -3.729
  260    HG   LEU  33           HG       LEU  33  -2.590  -0.659  -3.951
  261   HD11  LEU  33          HD11      LEU  33   0.130   0.242  -3.034
  262   HD12  LEU  33          HD12      LEU  33  -1.252  -0.071  -1.983
  263   HD13  LEU  33          HD13      LEU  33  -1.317   1.241  -3.160
  264   HD21  LEU  33          HD21      LEU  33  -1.567  -0.934  -6.128
  265   HD22  LEU  33          HD22      LEU  33  -0.051  -0.341  -5.477
  266   HD23  LEU  33          HD23      LEU  33  -1.432   0.734  -5.569
  267    H    CYS  34           HN       CYS  34  -0.801  -5.032  -6.275
  268    HA   CYS  34           HA       CYS  34  -0.520  -6.978  -4.079
  269    HB2  CYS  34           HB2      CYS  34  -2.414  -7.258  -5.856
  270    HB3  CYS  34           HB1      CYS  34  -1.107  -7.808  -6.899
  271    H    GLY  35           HN       GLY  35   1.257  -8.295  -4.056
  272    HA2  GLY  35           HA2      GLY  35   3.420  -8.937  -4.448
  273    HA3  GLY  35           HA1      GLY  35   3.018  -8.802  -6.151
  274    H    HIS  36           HN       HIS  36   4.024  -7.301  -7.317
  275    HA   HIS  36           HA       HIS  36   5.993  -5.638  -6.027
  276    HB2  HIS  36           HB2      HIS  36   6.566  -4.984  -8.381
  277    HB3  HIS  36           HB1      HIS  36   6.658  -6.712  -8.055
  278    HD1  HIS  36           HD1      HIS  36   4.359  -8.063  -8.853
  279    HD2  HIS  36           HD2      HIS  36   5.150  -4.364 -10.568
  280    HE1  HIS  36           HE1      HIS  36   2.991  -7.959 -10.977
  281    H    HIS  37           HN       HIS  37   2.794  -5.185  -7.334
  282    HA   HIS  37           HA       HIS  37   2.895  -2.439  -7.902
  283    HB2  HIS  37           HB2      HIS  37   0.550  -3.971  -6.760
  284    HB3  HIS  37           HB1      HIS  37   0.473  -2.418  -7.577
  285    HD1  HIS  37           HD1      HIS  37   2.372  -3.251  -9.998
  286    HD2  HIS  37           HD2      HIS  37  -0.903  -5.361  -8.568
  287    HE1  HIS  37           HE1      HIS  37   1.563  -4.689 -11.917
  288    H    PHE  38           HN       PHE  38   2.097  -4.102  -4.834
  289    HA   PHE  38           HA       PHE  38   1.655  -1.721  -3.409
  290    HB2  PHE  38           HB2      PHE  38   1.119  -4.133  -2.655
  291    HB3  PHE  38           HB1      PHE  38   2.786  -4.187  -2.110
  292    HD1  PHE  38           HD1      PHE  38   0.623  -1.211  -1.964
  293    HD2  PHE  38           HD2      PHE  38   2.389  -4.377   0.250
  294    HE1  PHE  38           HE1      PHE  38  -0.075  -0.132   0.117
  295    HE2  PHE  38           HE2      PHE  38   1.713  -3.294   2.335
  296    HZ   PHE  38           HZ       PHE  38   0.478  -1.163   2.269
  297    H    VAL  39           HN       VAL  39   4.525  -3.847  -3.220
  298    HA   VAL  39           HA       VAL  39   6.268  -2.226  -1.879
  299    HB   VAL  39           HB       VAL  39   6.745  -4.124  -4.176
  300   HG11  VAL  39          HG11      VAL  39   9.155  -4.044  -3.621
  301   HG12  VAL  39          HG12      VAL  39   8.841  -2.637  -2.605
  302   HG13  VAL  39          HG13      VAL  39   8.550  -2.556  -4.343
  303   HG21  VAL  39          HG21      VAL  39   6.024  -5.111  -2.087
  304   HG22  VAL  39          HG22      VAL  39   7.316  -4.278  -1.222
  305   HG23  VAL  39          HG23      VAL  39   7.709  -5.526  -2.403
  306    H    ARG  40           HN       ARG  40   5.150  -1.851  -5.158
  307    HA   ARG  40           HA       ARG  40   7.073   0.122  -5.941
  308    HB2  ARG  40           HB2      ARG  40   4.709  -1.187  -7.055
  309    HB3  ARG  40           HB1      ARG  40   4.828   0.494  -7.533
  310    HG2  ARG  40           HG2      ARG  40   7.109   0.076  -8.361
  311    HG3  ARG  40           HG1      ARG  40   6.932  -1.624  -7.926
  312    HD2  ARG  40           HD2      ARG  40   4.999  -1.779  -9.456
  313    HD3  ARG  40           HD1      ARG  40   5.272  -0.103  -9.931
  314    HE   ARG  40           HE       ARG  40   7.644  -1.553 -10.308
  315   HH11  ARG  40          HH11      ARG  40   4.431  -1.289 -11.633
  316   HH12  ARG  40          HH12      ARG  40   4.905  -1.799 -13.219
  317   HH21  ARG  40          HH21      ARG  40   8.276  -2.226 -12.391
  318   HH22  ARG  40          HH22      ARG  40   7.090  -2.332 -13.649
  319    H    ALA  41           HN       ALA  41   3.602   0.285  -5.163
  320    HA   ALA  41           HA       ALA  41   3.392   3.058  -5.011
  321    HB1  ALA  41           HB1      ALA  41   1.316   2.711  -3.919
  322    HB2  ALA  41           HB2      ALA  41   1.818   1.137  -3.296
  323    HB3  ALA  41           HB3      ALA  41   1.515   1.350  -5.024
  324    H    LEU  42           HN       LEU  42   4.859   0.754  -2.994
  325    HA   LEU  42           HA       LEU  42   4.833   2.239  -0.546
  326    HB2  LEU  42           HB2      LEU  42   6.661  -0.015  -1.419
  327    HB3  LEU  42           HB1      LEU  42   6.515   0.579   0.203
  328    HG   LEU  42           HG       LEU  42   4.849  -1.337  -1.253
  329   HD11  LEU  42          HD11      LEU  42   4.511  -2.205   1.002
  330   HD12  LEU  42          HD12      LEU  42   5.393  -0.823   1.649
  331   HD13  LEU  42          HD13      LEU  42   6.216  -1.994   0.618
  332   HD21  LEU  42          HD21      LEU  42   3.223   0.421  -1.106
  333   HD22  LEU  42          HD22      LEU  42   3.609   0.653   0.598
  334   HD23  LEU  42          HD23      LEU  42   2.863  -0.842   0.065
  335    H    VAL  43           HN       VAL  43   7.315   1.468  -2.976
  336    HA   VAL  43           HA       VAL  43   9.366   3.051  -1.996
  337    HB   VAL  43           HB       VAL  43   9.235   1.305  -3.972
  338   HG11  VAL  43          HG11      VAL  43   8.827   3.940  -5.325
  339   HG12  VAL  43          HG12      VAL  43   7.980   2.416  -5.573
  340   HG13  VAL  43          HG13      VAL  43   9.638   2.601  -6.132
  341   HG21  VAL  43          HG21      VAL  43  11.426   1.981  -4.668
  342   HG22  VAL  43          HG22      VAL  43  11.247   2.220  -2.932
  343   HG23  VAL  43          HG23      VAL  43  11.171   3.603  -4.022
  344    H    ARG  44           HN       ARG  44   6.430   3.944  -3.457
  345    HA   ARG  44           HA       ARG  44   7.289   6.482  -4.479
  346    HB2  ARG  44           HB2      ARG  44   5.433   5.349  -5.521
  347    HB3  ARG  44           HB1      ARG  44   4.557   5.353  -4.003
  348    HG2  ARG  44           HG2      ARG  44   4.546   7.833  -4.072
  349    HG3  ARG  44           HG1      ARG  44   5.272   7.741  -5.674
  350    HD2  ARG  44           HD2      ARG  44   2.647   6.473  -4.914
  351    HD3  ARG  44           HD1      ARG  44   2.806   8.043  -5.704
  352    HE   ARG  44           HE       ARG  44   4.091   5.840  -7.070
  353   HH11  ARG  44          HH11      ARG  44   1.209   7.769  -6.723
  354   HH12  ARG  44          HH12      ARG  44   0.603   7.379  -8.297
  355   HH21  ARG  44          HH21      ARG  44   3.300   5.321  -9.144
  356   HH22  ARG  44          HH22      ARG  44   1.791   5.986  -9.673
  357    H    VAL  45           HN       VAL  45   5.030   5.619  -1.840
  358    HA   VAL  45           HA       VAL  45   5.218   8.305  -0.787
  359    HB   VAL  45           HB       VAL  45   3.340   7.888   0.407
  360   HG11  VAL  45          HG11      VAL  45   2.832   7.243  -1.886
  361   HG12  VAL  45          HG12      VAL  45   1.862   6.322  -0.727
  362   HG13  VAL  45          HG13      VAL  45   3.257   5.568  -1.508
  363   HG21  VAL  45          HG21      VAL  45   4.411   5.126   0.885
  364   HG22  VAL  45          HG22      VAL  45   2.743   5.558   1.273
  365   HG23  VAL  45          HG23      VAL  45   4.084   6.404   2.058
  366    H    CYS  46           HN       CYS  46   6.286   5.084   0.189
  367    HA   CYS  46           HA       CYS  46   7.741   6.348   2.406
  368    HB2  CYS  46           HB2      CYS  46   6.198   4.680   3.208
  369    HB3  CYS  46           HB1      CYS  46   6.827   3.479   2.090
  370    H    GLY  47           HN       GLY  47   9.350   7.000   0.796
  371    HA2  GLY  47           HA2      GLY  47  10.902   5.217  -0.697
  372    HA3  GLY  47           HA1      GLY  47  11.460   6.774  -0.098
  373    H    GLY  48           HN       GLY  48  11.586   3.376   0.275
  374    HA2  GLY  48           HA2      GLY  48  13.128   3.637   2.775
  375    HA3  GLY  48           HA1      GLY  48  12.322   2.174   2.239
  376    HA   PRO  49           HA       PRO  49  16.808   2.149   0.847
  377    HB2  PRO  49           HB2      PRO  49  17.622   0.479   3.025
  378    HB3  PRO  49           HB1      PRO  49  18.103   2.143   2.697
  379    HG2  PRO  49           HG2      PRO  49  16.567   1.348   4.850
  380    HG3  PRO  49           HG1      PRO  49  16.602   2.991   4.187
  381    HD2  PRO  49           HD2      PRO  49  14.604   0.808   3.744
  382    HD3  PRO  49           HD1      PRO  49  14.337   2.553   3.953
  383    H    LYS  50           HN       LYS  50  14.715  -0.341   2.179
  384    HA   LYS  50           HA       LYS  50  16.031  -2.612   1.211
  385    HB2  LYS  50           HB2      LYS  50  13.093  -2.113   1.700
  386    HB3  LYS  50           HB1      LYS  50  13.752  -3.688   1.287
  387    HG2  LYS  50           HG2      LYS  50  13.513  -3.705   3.615
  388    HG3  LYS  50           HG1      LYS  50  15.234  -3.447   3.330
  389    HD2  LYS  50           HD2      LYS  50  14.428  -1.981   5.097
  390    HD3  LYS  50           HD1      LYS  50  14.923  -1.041   3.688
  391    HE2  LYS  50           HE2      LYS  50  12.795  -0.258   4.708
  392    HE3  LYS  50           HE1      LYS  50  12.636  -0.736   3.018
  393    HZ1  LYS  50           HZ       LYS  50  11.246  -2.444   3.656
  394    H    TRP  51           HN       TRP  51  12.992  -1.406  -0.149
  395    HA   TRP  51           HA       TRP  51  13.366  -2.635  -2.658
  396    HB2  TRP  51           HB2      TRP  51  11.516  -0.820  -3.270
  397    HB3  TRP  51           HB1      TRP  51  11.140  -2.230  -2.286
  398    HD1  TRP  51           HD1      TRP  51  12.437   1.361  -1.507
  399    HE1  TRP  51           HE1      TRP  51  11.145   2.221   0.542
  400    HE3  TRP  51           HE3      TRP  51   9.480  -2.703  -0.633
  401    HZ2  TRP  51           HZ2      TRP  51   9.155   1.311   2.304
  402    HZ3  TRP  51           HZ3      TRP  51   7.909  -2.635   1.256
  403    HH2  TRP  51           HH2      TRP  51   7.738  -0.665   2.693
  Start of MODEL    7
    1    H1   ALA 106           HT1      ALA 106  -2.793   3.002  13.677
    2    H2   ALA 106           HT2      ALA 106  -4.372   2.652  14.173
    3    H3   ALA 106           HT3      ALA 106  -4.007   4.171  13.526
    4    HA   ALA 106           HA       ALA 106  -5.167   2.809  11.917
    5    HB1  ALA 106           HB1      ALA 106  -3.596   3.081  10.073
    6    HB2  ALA 106           HB2      ALA 106  -2.270   3.274  11.219
    7    HB3  ALA 106           HB3      ALA 106  -3.555   4.479  11.146
    8    H    ALA 107           HN       ALA 107  -5.733   0.721  12.349
    9    HA   ALA 107           HA       ALA 107  -3.644  -1.330  12.028
   10    HB1  ALA 107           HB1      ALA 107  -6.308  -1.542  13.426
   11    HB2  ALA 107           HB2      ALA 107  -4.736  -1.379  14.207
   12    HB3  ALA 107           HB3      ALA 107  -5.113  -2.832  13.282
   13    H    ALA 108           HN       ALA 108  -3.857  -2.906  10.519
   14    HA   ALA 108           HA       ALA 108  -6.343  -3.035   8.966
   15    HB1  ALA 108           HB1      ALA 108  -3.599  -2.854   7.724
   16    HB2  ALA 108           HB2      ALA 108  -4.790  -1.554   7.764
   17    HB3  ALA 108           HB3      ALA 108  -5.129  -3.034   6.866
   18    H    THR 109           HN       THR 109  -6.865  -5.041   8.196
   19    HA   THR 109           HA       THR 109  -5.584  -7.276   9.442
   20    HB   THR 109           HB       THR 109  -7.252  -8.642   8.205
   21    HG1  THR 109           HG1      THR 109  -8.387  -6.215   7.291
   22   HG21  THR 109          HG21      THR 109  -7.825  -7.706  10.385
   23   HG22  THR 109          HG22      THR 109  -9.238  -7.733   9.329
   24   HG23  THR 109          HG23      THR 109  -8.378  -6.219   9.613
   25    H    ASN 110           HN       ASN 110  -3.546  -7.609   8.677
   26    HA   ASN 110           HA       ASN 110  -1.912  -8.416   7.326
   27    HB2  ASN 110           HB2      ASN 110  -4.185  -9.214   5.498
   28    HB3  ASN 110           HB1      ASN 110  -2.530  -9.808   5.412
   29   HD21  ASN 110          HD21      ASN 110  -1.786 -11.243   6.971
   30   HD22  ASN 110          HD22      ASN 110  -2.863 -12.112   8.004
   31    HA   PRO 111           HA       PRO 111  -1.303  -4.662   4.923
   32    HB2  PRO 111           HB2      PRO 111   1.280  -6.002   4.318
   33    HB3  PRO 111           HB1      PRO 111   0.971  -4.389   4.959
   34    HG2  PRO 111           HG2      PRO 111   1.884  -6.310   6.544
   35    HG3  PRO 111           HG1      PRO 111   0.641  -5.184   7.127
   36    HD2  PRO 111           HD2      PRO 111   0.326  -8.000   6.135
   37    HD3  PRO 111           HD1      PRO 111  -0.419  -7.214   7.542
   38    H    ALA 112           HN       ALA 112   0.941  -6.365   3.044
   39    HA   ALA 112           HA       ALA 112   0.021  -5.839   0.587
   40    HB1  ALA 112           HB1      ALA 112   1.312  -8.446   1.368
   41    HB2  ALA 112           HB2      ALA 112   2.155  -6.928   1.051
   42    HB3  ALA 112           HB3      ALA 112   1.280  -7.738  -0.249
   43    H    ARG 113           HN       ARG 113  -1.148  -8.513   2.592
   44    HA   ARG 113           HA       ARG 113  -2.653  -9.829   0.633
   45    HB2  ARG 113           HB2      ARG 113  -2.780  -9.680   3.616
   46    HB3  ARG 113           HB1      ARG 113  -4.071 -10.482   2.738
   47    HG2  ARG 113           HG2      ARG 113  -2.545 -12.163   3.370
   48    HG3  ARG 113           HG1      ARG 113  -2.299 -11.895   1.644
   49    HD2  ARG 113           HD2      ARG 113  -0.157 -12.086   2.729
   50    HD3  ARG 113           HD1      ARG 113  -0.386 -10.425   2.185
   51    HE   ARG 113           HE       ARG 113  -1.246 -10.332   4.734
   52   HH11  ARG 113          HH11      ARG 113   1.665 -11.580   3.280
   53   HH12  ARG 113          HH12      ARG 113   2.648 -11.263   4.671
   54   HH21  ARG 113          HH21      ARG 113   0.037  -9.913   6.567
   55   HH22  ARG 113          HH22      ARG 113   1.722 -10.316   6.540
   56    H    TYR 114           HN       TYR 114  -3.712  -7.411   3.039
   57    HA   TYR 114           HA       TYR 114  -6.341  -7.170   2.010
   58    HB2  TYR 114           HB2      TYR 114  -6.059  -6.408   4.219
   59    HB3  TYR 114           HB1      TYR 114  -4.644  -5.446   3.804
   60    HD1  TYR 114           HD1      TYR 114  -8.304  -5.663   3.576
   61    HD2  TYR 114           HD2      TYR 114  -4.884  -3.181   3.081
   62    HE1  TYR 114           HE1      TYR 114  -9.760  -3.709   3.381
   63    HE2  TYR 114           HE2      TYR 114  -6.342  -1.211   2.878
   64    HH   TYR 114           HH       TYR 114  -8.690  -0.707   2.254
   65    H    CYS 115           HN       CYS 115  -3.320  -5.582   1.299
   66    HA   CYS 115           HA       CYS 115  -4.408  -3.488  -0.293
   67    HB2  CYS 115           HB2      CYS 115  -1.619  -4.619  -0.044
   68    HB3  CYS 115           HB1      CYS 115  -2.010  -3.196  -1.006
   69    H    CYS 116           HN       CYS 116  -3.854  -6.795  -0.857
   70    HA   CYS 116           HA       CYS 116  -3.700  -6.414  -3.760
   71    HB2  CYS 116           HB2      CYS 116  -2.064  -7.945  -2.774
   72    HB3  CYS 116           HB1      CYS 116  -3.361  -8.911  -2.081
   73    H    LEU 117           HN       LEU 117  -5.851  -7.448  -1.245
   74    HA   LEU 117           HA       LEU 117  -7.655  -8.817  -3.034
   75    HB2  LEU 117           HB2      LEU 117  -7.845  -8.088  -0.132
   76    HB3  LEU 117           HB1      LEU 117  -9.125  -8.913  -0.993
   77    HG   LEU 117           HG       LEU 117  -6.323 -10.001  -0.718
   78   HD11  LEU 117          HD11      LEU 117  -7.371  -9.807   1.480
   79   HD12  LEU 117          HD12      LEU 117  -7.231 -11.494   0.984
   80   HD13  LEU 117          HD13      LEU 117  -8.789 -10.672   0.886
   81   HD21  LEU 117          HD21      LEU 117  -8.917 -11.270  -1.593
   82   HD22  LEU 117          HD22      LEU 117  -7.374 -12.104  -1.408
   83   HD23  LEU 117          HD23      LEU 117  -7.557 -10.852  -2.637
   84    H    SER 118           HN       SER 118  -8.775  -6.498  -0.649
   85    HA   SER 118           HA       SER 118 -10.698  -5.437  -2.443
   86    HB2  SER 118           HB2      SER 118  -9.827  -4.476   0.291
   87    HB3  SER 118           HB1      SER 118 -11.276  -3.964  -0.562
   88    HG   SER 118           HG       SER 118 -12.237  -5.741   0.018
   89    H    GLY 119           HN       GLY 119  -7.480  -4.519  -1.505
   90    HA2  GLY 119           HA2      GLY 119  -6.419  -3.060  -3.260
   91    HA3  GLY 119           HA1      GLY 119  -7.791  -1.998  -3.014
   92    H    CYS 120           HN       CYS 120  -5.756  -0.593  -2.713
   93    HA   CYS 120           HA       CYS 120  -5.588   0.039   0.061
   94    HB2  CYS 120           HB2      CYS 120  -3.515  -1.640  -1.098
   95    HB3  CYS 120           HB1      CYS 120  -2.860  -0.138  -0.455
   96    H    THR 121           HN       THR 121  -5.528   2.166   0.152
   97    HA   THR 121           HA       THR 121  -4.777   3.681  -2.203
   98    HB   THR 121           HB       THR 121  -5.848   5.527  -1.253
   99    HG1  THR 121           HG1      THR 121  -6.269   4.654   1.303
  100   HG21  THR 121          HG21      THR 121  -7.423   3.668  -1.725
  101   HG22  THR 121          HG22      THR 121  -7.990   4.729  -0.435
  102   HG23  THR 121          HG23      THR 121  -7.286   3.161  -0.040
  103    H    GLN 122           HN       GLN 122  -3.778   5.999  -1.274
  104    HA   GLN 122           HA       GLN 122  -1.056   5.361  -0.780
  105    HB2  GLN 122           HB2      GLN 122  -1.897   7.370  -2.027
  106    HB3  GLN 122           HB1      GLN 122  -2.413   8.050  -0.494
  107    HG2  GLN 122           HG2      GLN 122  -0.077   7.986   0.289
  108    HG3  GLN 122           HG1      GLN 122   0.410   7.394  -1.299
  109   HE21  GLN 122          HE21      GLN 122   1.146   9.848   0.120
  110   HE22  GLN 122          HE22      GLN 122   0.717  11.150  -0.931
  111    H    GLN 123           HN       GLN 123  -3.742   6.178   1.256
  112    HA   GLN 123           HA       GLN 123  -2.219   6.894   3.560
  113    HB2  GLN 123           HB2      GLN 123  -5.098   6.037   3.251
  114    HB3  GLN 123           HB1      GLN 123  -4.396   6.593   4.764
  115    HG2  GLN 123           HG2      GLN 123  -4.591   8.198   2.225
  116    HG3  GLN 123           HG1      GLN 123  -5.641   8.358   3.633
  117   HE21  GLN 123          HE21      GLN 123  -2.464   8.916   2.341
  118   HE22  GLN 123          HE22      GLN 123  -1.928   9.996   3.579
  119    H    ASP 124           HN       ASP 124  -3.890   3.923   2.561
  120    HA   ASP 124           HA       ASP 124  -3.267   2.449   4.888
  121    HB2  ASP 124           HB2      ASP 124  -3.930   1.516   2.088
  122    HB3  ASP 124           HB1      ASP 124  -3.824   0.454   3.488
  123    H    LEU 125           HN       LEU 125  -1.377   3.408   2.208
  124    HA   LEU 125           HA       LEU 125   0.596   1.349   2.498
  125    HB2  LEU 125           HB2      LEU 125   0.197   1.914   0.305
  126    HB3  LEU 125           HB1      LEU 125  -0.197   3.558   0.706
  127    HG   LEU 125           HG       LEU 125   2.066   4.115   0.923
  128   HD11  LEU 125          HD11      LEU 125   3.794   2.385   0.211
  129   HD12  LEU 125          HD12      LEU 125   2.510   1.205   0.457
  130   HD13  LEU 125          HD13      LEU 125   3.083   2.171   1.812
  131   HD21  LEU 125          HD21      LEU 125   1.152   4.315  -1.252
  132   HD22  LEU 125          HD22      LEU 125   1.383   2.601  -1.542
  133   HD23  LEU 125          HD23      LEU 125   2.777   3.659  -1.424
  134    H    LEU 126           HN       LEU 126   0.146   4.801   2.872
  135    HA   LEU 126           HA       LEU 126   2.444   5.790   3.755
  136    HB2  LEU 126           HB2      LEU 126  -0.008   6.697   3.697
  137    HB3  LEU 126           HB1      LEU 126  -0.013   6.250   5.391
  138    HG   LEU 126           HG       LEU 126   2.070   8.020   4.207
  139   HD11  LEU 126          HD11      LEU 126  -0.550   8.809   5.472
  140   HD12  LEU 126          HD12      LEU 126  -0.055   9.098   3.803
  141   HD13  LEU 126          HD13      LEU 126   0.775   9.921   5.125
  142   HD21  LEU 126          HD21      LEU 126   1.951   8.764   6.735
  143   HD22  LEU 126          HD22      LEU 126   2.876   7.344   6.248
  144   HD23  LEU 126          HD23      LEU 126   1.263   7.147   6.940
  145    H    THR 127           HN       THR 127   0.136   4.017   5.761
  146    HA   THR 127           HA       THR 127   1.828   4.029   8.056
  147    HB   THR 127           HB       THR 127  -0.534   4.026   8.376
  148    HG1  THR 127           HG1      THR 127   1.019   1.913   9.297
  149   HG21  THR 127          HG21      THR 127  -1.147   2.876   6.309
  150   HG22  THR 127          HG22      THR 127  -1.938   2.143   7.705
  151   HG23  THR 127          HG23      THR 127  -0.539   1.359   6.968
  152    H    LEU 128           HN       LEU 128   1.455   1.957   5.307
  153    HA   LEU 128           HA       LEU 128   2.865  -0.214   6.645
  154    HB2  LEU 128           HB2      LEU 128   1.680  -0.003   3.878
  155    HB3  LEU 128           HB1      LEU 128   2.742  -1.309   4.338
  156    HG   LEU 128           HG       LEU 128   0.263  -0.683   5.920
  157   HD11  LEU 128          HD11      LEU 128   0.579  -2.568   3.588
  158   HD12  LEU 128          HD12      LEU 128  -0.526  -1.198   3.700
  159   HD13  LEU 128          HD13      LEU 128  -0.763  -2.608   4.730
  160   HD21  LEU 128          HD21      LEU 128   1.970  -1.972   7.034
  161   HD22  LEU 128          HD22      LEU 128   2.067  -3.056   5.644
  162   HD23  LEU 128          HD23      LEU 128   0.602  -3.016   6.631
  163    H    CYS 129           HN       CYS 129   3.809   2.551   5.832
  164    HA   CYS 129           HA       CYS 129   5.814   2.694   4.052
  165    HB2  CYS 129           HB2      CYS 129   5.267   3.900   6.656
  166    HB3  CYS 129           HB1      CYS 129   6.981   3.878   6.261
  167    HA   PRO 130           HA       PRO 130   9.507   0.324   4.484
  168    HB2  PRO 130           HB2      PRO 130  10.620   2.531   6.186
  169    HB3  PRO 130           HB1      PRO 130  11.415   1.582   4.923
  170    HG2  PRO 130           HG2      PRO 130  10.451   4.030   4.428
  171    HG3  PRO 130           HG1      PRO 130  10.386   2.740   3.214
  172    HD2  PRO 130           HD2      PRO 130   8.204   3.974   4.745
  173    HD3  PRO 130           HD1      PRO 130   8.136   3.024   3.252
  174    H    TYR 131           HN       TYR 131   8.451  -1.243   5.798
  175    HA   TYR 131           HA       TYR 131   8.643  -1.058   8.672
  176    HB2  TYR 131           HB2      TYR 131   7.976  -3.592   8.392
  177    HB3  TYR 131           HB1      TYR 131   6.791  -2.327   8.092
  178    HD1  TYR 131           HD2      TYR 131   9.022  -4.788   6.491
  179    HD2  TYR 131           HD1      TYR 131   5.899  -1.958   5.904
  180    HE1  TYR 131           HE2      TYR 131   8.652  -5.674   4.226
  181    HE2  TYR 131           HE1      TYR 131   5.520  -2.836   3.640
  182    HH   TYR 131           HH       TYR 131   6.853  -5.760   2.554
  183    H    GLY 132           HN       GLY 132  10.667  -1.745   6.156
  184    HA2  GLY 132           HA2      GLY 132  12.743  -2.743   7.930
  185    HA3  GLY 132           HA1      GLY 132  12.298  -3.800   6.594
  186    H2   PRO  25           HT1      PRO  25 -14.031  16.213   2.288
  187    H3   PRO  25           HT2      PRO  25 -14.175  15.562   3.779
  188    HA   PRO  25           HA       PRO  25 -14.069  13.534   3.119
  189    HB2  PRO  25           HB2      PRO  25 -15.057  13.459   0.451
  190    HB3  PRO  25           HB1      PRO  25 -15.801  12.784   1.907
  191    HG2  PRO  25           HG2      PRO  25 -16.287  15.383   0.570
  192    HG3  PRO  25           HG1      PRO  25 -17.387  14.393   1.545
  193    HD2  PRO  25           HD2      PRO  25 -16.365  16.658   2.523
  194    HD3  PRO  25           HD1      PRO  25 -16.556  15.231   3.559
  195    H    THR  26           HN       THR  26 -12.720  12.295   1.597
  196    HA   THR  26           HA       THR  26 -11.050  13.965  -0.143
  197    HB   THR  26           HB       THR  26  -9.760  13.867   1.863
  198    HG1  THR  26           HG1      THR  26  -8.321  11.866   0.768
  199   HG21  THR  26          HG21      THR  26  -9.161  11.759   2.960
  200   HG22  THR  26          HG22      THR  26 -10.164  10.874   1.811
  201   HG23  THR  26          HG23      THR  26 -10.909  11.997   2.949
  202    HA   PRO  27           HA       PRO  27 -11.449  10.397  -2.754
  203    HB2  PRO  27           HB2      PRO  27  -9.903  11.166  -4.786
  204    HB3  PRO  27           HB1      PRO  27 -11.395  12.031  -4.399
  205    HG2  PRO  27           HG2      PRO  27  -8.568  12.781  -3.829
  206    HG3  PRO  27           HG1      PRO  27  -9.937  13.814  -4.272
  207    HD2  PRO  27           HD2      PRO  27  -8.957  13.392  -1.680
  208    HD3  PRO  27           HD1      PRO  27 -10.524  14.109  -2.096
  209    H    GLU  28           HN       GLU  28 -10.521   8.440  -2.837
  210    HA   GLU  28           HA       GLU  28  -7.624   8.179  -2.840
  211    HB2  GLU  28           HB2      GLU  28  -7.755   6.465  -1.002
  212    HB3  GLU  28           HB1      GLU  28  -8.005   8.125  -0.494
  213    HG2  GLU  28           HG2      GLU  28 -10.453   7.715  -0.557
  214    HG3  GLU  28           HG1      GLU  28 -10.113   6.021  -0.907
  215    H    MET  29           HN       MET  29  -6.935   6.481  -4.010
  216    HA   MET  29           HA       MET  29  -8.993   4.665  -5.068
  217    HB2  MET  29           HB2      MET  29  -7.935   5.989  -6.795
  218    HB3  MET  29           HB1      MET  29  -6.338   5.521  -6.228
  219    HG2  MET  29           HG2      MET  29  -6.947   4.312  -8.239
  220    HG3  MET  29           HG1      MET  29  -6.767   3.217  -6.871
  221    HE1  MET  29           HE1      MET  29 -10.807   4.513  -8.685
  222    HE2  MET  29           HE2      MET  29  -9.241   4.902  -9.395
  223    HE3  MET  29           HE3      MET  29  -9.718   5.629  -7.861
  224    H    ARG  30           HN       ARG  30  -9.011   2.815  -3.970
  225    HA   ARG  30           HA       ARG  30  -6.789   1.758  -2.562
  226    HB2  ARG  30           HB2      ARG  30  -9.513   0.779  -3.268
  227    HB3  ARG  30           HB1      ARG  30  -8.342  -0.372  -2.681
  228    HG2  ARG  30           HG2      ARG  30  -9.345   0.195  -0.732
  229    HG3  ARG  30           HG1      ARG  30  -8.053   1.398  -0.769
  230    HD2  ARG  30           HD2      ARG  30  -9.709   2.881  -1.982
  231    HD3  ARG  30           HD1      ARG  30 -10.946   1.735  -1.483
  232    HE   ARG  30           HE       ARG  30  -9.240   2.940   0.568
  233   HH11  ARG  30          HH11      ARG  30 -12.361   2.639  -0.953
  234   HH12  ARG  30          HH12      ARG  30 -13.214   3.398   0.349
  235   HH21  ARG  30          HH21      ARG  30 -10.357   3.943   2.289
  236   HH22  ARG  30          HH22      ARG  30 -12.075   4.139   2.190
  237    H    GLU  31           HN       GLU  31  -5.117   1.693  -4.200
  238    HA   GLU  31           HA       GLU  31  -5.341   0.167  -6.559
  239    HB2  GLU  31           HB2      GLU  31  -2.728   0.468  -5.117
  240    HB3  GLU  31           HB1      GLU  31  -3.048   0.466  -6.844
  241    HG2  GLU  31           HG2      GLU  31  -4.043   2.657  -6.711
  242    HG3  GLU  31           HG1      GLU  31  -3.856   2.665  -4.959
  243    H    LYS  32           HN       LYS  32  -5.038  -1.972  -6.977
  244    HA   LYS  32           HA       LYS  32  -5.163  -3.786  -4.778
  245    HB2  LYS  32           HB2      LYS  32  -5.074  -4.077  -7.743
  246    HB3  LYS  32           HB1      LYS  32  -5.069  -5.466  -6.681
  247    HG2  LYS  32           HG2      LYS  32  -7.165  -4.235  -5.643
  248    HG3  LYS  32           HG1      LYS  32  -7.240  -3.539  -7.264
  249    HD2  LYS  32           HD2      LYS  32  -7.059  -5.917  -8.121
  250    HD3  LYS  32           HD1      LYS  32  -7.382  -6.433  -6.468
  251    HE2  LYS  32           HE2      LYS  32  -9.434  -6.388  -7.799
  252    HE3  LYS  32           HE1      LYS  32  -9.493  -5.213  -6.485
  253    HZ1  LYS  32           HZ1      LYS  32  -8.963  -3.465  -8.040
  254    HZ2  LYS  32           HZ2      LYS  32 -10.323  -4.310  -8.587
  255    HZ3  LYS  32           HZ3      LYS  32  -8.817  -4.578  -9.308
  256    H    LEU  33           HN       LEU  33  -3.010  -2.708  -4.163
  257    HA   LEU  33           HA       LEU  33  -0.586  -3.449  -5.372
  258    HB2  LEU  33           HB2      LEU  33  -0.960  -2.868  -2.441
  259    HB3  LEU  33           HB1      LEU  33   0.459  -2.577  -3.428
  260    HG   LEU  33           HG       LEU  33  -2.160  -1.114  -3.723
  261   HD11  LEU  33          HD11      LEU  33   0.412  -0.026  -2.627
  262   HD12  LEU  33          HD12      LEU  33  -0.878  -0.654  -1.603
  263   HD13  LEU  33          HD13      LEU  33  -1.176   0.739  -2.642
  264   HD21  LEU  33          HD21      LEU  33  -1.017  -1.203  -5.809
  265   HD22  LEU  33          HD22      LEU  33   0.494  -0.770  -5.032
  266   HD23  LEU  33          HD23      LEU  33  -0.801   0.410  -5.127
  267    H    CYS  34           HN       CYS  34  -0.121  -5.524  -5.717
  268    HA   CYS  34           HA       CYS  34  -0.624  -7.466  -3.586
  269    HB2  CYS  34           HB2      CYS  34  -0.115  -7.841  -6.538
  270    HB3  CYS  34           HB1      CYS  34  -0.311  -9.155  -5.391
  271    H    GLY  35           HN       GLY  35   1.739  -7.807  -6.175
  272    HA2  GLY  35           HA2      GLY  35   3.779  -8.317  -4.129
  273    HA3  GLY  35           HA1      GLY  35   3.852  -8.836  -5.806
  274    H    HIS  36           HN       HIS  36   4.660  -7.459  -7.365
  275    HA   HIS  36           HA       HIS  36   6.522  -5.520  -6.491
  276    HB2  HIS  36           HB2      HIS  36   6.858  -5.056  -8.889
  277    HB3  HIS  36           HB1      HIS  36   6.868  -6.783  -8.549
  278    HD1  HIS  36           HD1      HIS  36   4.642  -8.109  -9.276
  279    HD2  HIS  36           HD2      HIS  36   5.014  -4.224 -10.697
  280    HE1  HIS  36           HE1      HIS  36   2.984  -7.885 -11.172
  281    H    HIS  37           HN       HIS  37   3.173  -5.350  -7.156
  282    HA   HIS  37           HA       HIS  37   3.018  -2.607  -7.920
  283    HB2  HIS  37           HB2      HIS  37   0.894  -4.325  -6.617
  284    HB3  HIS  37           HB1      HIS  37   0.627  -2.804  -7.458
  285    HD1  HIS  37           HD1      HIS  37   0.229  -6.258  -8.033
  286    HD2  HIS  37           HD2      HIS  37   1.747  -3.116 -10.286
  287    HE1  HIS  37           HE1      HIS  37   0.119  -7.000 -10.448
  288    H    PHE  38           HN       PHE  38   2.762  -4.303  -4.798
  289    HA   PHE  38           HA       PHE  38   2.231  -1.869  -3.399
  290    HB2  PHE  38           HB2      PHE  38   1.751  -4.338  -2.631
  291    HB3  PHE  38           HB1      PHE  38   3.387  -4.248  -1.996
  292    HD1  PHE  38           HD1      PHE  38   2.093  -0.994  -1.853
  293    HD2  PHE  38           HD2      PHE  38   1.785  -4.769   0.097
  294    HE1  PHE  38           HE1      PHE  38   1.206   0.102   0.136
  295    HE2  PHE  38           HE2      PHE  38   0.919  -3.660   2.093
  296    HZ   PHE  38           HZ       PHE  38   0.627  -1.216   2.110
  297    H    VAL  39           HN       VAL  39   5.091  -3.790  -4.114
  298    HA   VAL  39           HA       VAL  39   6.926  -2.353  -2.526
  299    HB   VAL  39           HB       VAL  39   7.350  -3.810  -5.150
  300   HG11  VAL  39          HG11      VAL  39   9.386  -2.835  -3.152
  301   HG12  VAL  39          HG12      VAL  39   9.154  -2.232  -4.793
  302   HG13  VAL  39          HG13      VAL  39   9.725  -3.879  -4.533
  303   HG21  VAL  39          HG21      VAL  39   8.198  -5.623  -3.734
  304   HG22  VAL  39          HG22      VAL  39   6.514  -5.243  -3.372
  305   HG23  VAL  39          HG23      VAL  39   7.795  -4.682  -2.297
  306    H    ARG  40           HN       ARG  40   5.372  -1.719  -5.534
  307    HA   ARG  40           HA       ARG  40   7.092   0.436  -6.365
  308    HB2  ARG  40           HB2      ARG  40   4.990  -1.134  -7.462
  309    HB3  ARG  40           HB1      ARG  40   4.499   0.544  -7.583
  310    HG2  ARG  40           HG2      ARG  40   6.712   1.016  -8.665
  311    HG3  ARG  40           HG1      ARG  40   6.977  -0.728  -8.717
  312    HD2  ARG  40           HD2      ARG  40   4.916  -0.986 -10.029
  313    HD3  ARG  40           HD1      ARG  40   4.687   0.762  -9.997
  314    HE   ARG  40           HE       ARG  40   7.142  -0.329 -11.164
  315   HH11  ARG  40          HH11      ARG  40   4.087   1.303 -11.555
  316   HH12  ARG  40          HH12      ARG  40   4.440   1.854 -13.158
  317   HH21  ARG  40          HH21      ARG  40   7.613   0.392 -13.275
  318   HH22  ARG  40          HH22      ARG  40   6.443   1.335 -14.136
  319    H    ALA  41           HN       ALA  41   3.718   0.207  -5.236
  320    HA   ALA  41           HA       ALA  41   3.200   2.910  -4.940
  321    HB1  ALA  41           HB1      ALA  41   1.345   2.297  -3.676
  322    HB2  ALA  41           HB2      ALA  41   2.175   0.928  -2.933
  323    HB3  ALA  41           HB3      ALA  41   1.657   0.838  -4.620
  324    H    LEU  42           HN       LEU  42   4.805   0.614  -2.866
  325    HA   LEU  42           HA       LEU  42   5.152   2.141  -0.567
  326    HB2  LEU  42           HB2      LEU  42   6.153  -0.303  -1.733
  327    HB3  LEU  42           HB1      LEU  42   7.426   0.551  -0.944
  328    HG   LEU  42           HG       LEU  42   6.657  -0.956   0.608
  329   HD11  LEU  42          HD11      LEU  42   5.828   0.389   2.403
  330   HD12  LEU  42          HD12      LEU  42   5.196   1.554   1.243
  331   HD13  LEU  42          HD13      LEU  42   6.939   1.370   1.438
  332   HD21  LEU  42          HD21      LEU  42   4.552  -1.465  -0.566
  333   HD22  LEU  42          HD22      LEU  42   3.891  -0.007   0.164
  334   HD23  LEU  42          HD23      LEU  42   4.397  -1.341   1.188
  335    H    VAL  43           HN       VAL  43   7.607   1.418  -3.036
  336    HA   VAL  43           HA       VAL  43   9.521   3.220  -2.343
  337    HB   VAL  43           HB       VAL  43   9.469   1.384  -4.166
  338   HG11  VAL  43          HG11      VAL  43   8.507   3.779  -5.661
  339   HG12  VAL  43          HG12      VAL  43   7.943   2.109  -5.725
  340   HG13  VAL  43          HG13      VAL  43   9.484   2.549  -6.458
  341   HG21  VAL  43          HG21      VAL  43  11.443   2.350  -5.215
  342   HG22  VAL  43          HG22      VAL  43  11.441   2.564  -3.463
  343   HG23  VAL  43          HG23      VAL  43  11.041   3.922  -4.517
  344    H    ARG  44           HN       ARG  44   6.454   3.955  -3.648
  345    HA   ARG  44           HA       ARG  44   7.182   6.473  -4.832
  346    HB2  ARG  44           HB2      ARG  44   5.301   5.267  -5.728
  347    HB3  ARG  44           HB1      ARG  44   4.525   5.265  -4.155
  348    HG2  ARG  44           HG2      ARG  44   4.392   7.730  -4.261
  349    HG3  ARG  44           HG1      ARG  44   5.038   7.653  -5.896
  350    HD2  ARG  44           HD2      ARG  44   2.477   6.385  -4.942
  351    HD3  ARG  44           HD1      ARG  44   2.607   7.846  -5.920
  352    HE   ARG  44           HE       ARG  44   3.705   5.329  -6.946
  353   HH11  ARG  44          HH11      ARG  44   1.364   7.905  -7.141
  354   HH12  ARG  44          HH12      ARG  44   0.826   7.468  -8.728
  355   HH21  ARG  44          HH21      ARG  44   3.003   4.750  -9.037
  356   HH22  ARG  44          HH22      ARG  44   1.759   5.677  -9.806
  357    H    VAL  45           HN       VAL  45   4.664   5.998  -2.419
  358    HA   VAL  45           HA       VAL  45   5.223   8.571  -1.242
  359    HB   VAL  45           HB       VAL  45   2.990   8.378  -1.026
  360   HG11  VAL  45          HG11      VAL  45   2.631   6.471  -2.308
  361   HG12  VAL  45          HG12      VAL  45   1.856   6.089  -0.761
  362   HG13  VAL  45          HG13      VAL  45   3.447   5.419  -1.145
  363   HG21  VAL  45          HG21      VAL  45   3.821   6.675   1.320
  364   HG22  VAL  45          HG22      VAL  45   2.196   7.316   1.088
  365   HG23  VAL  45          HG23      VAL  45   3.559   8.420   1.302
  366    H    CYS  46           HN       CYS  46   5.649   5.205  -0.362
  367    HA   CYS  46           HA       CYS  46   6.952   6.040   2.134
  368    HB2  CYS  46           HB2      CYS  46   5.561   3.526   1.281
  369    HB3  CYS  46           HB1      CYS  46   6.712   3.495   2.609
  370    H    GLY  47           HN       GLY  47   8.370   6.364  -0.263
  371    HA2  GLY  47           HA2      GLY  47  10.016   4.352  -1.129
  372    HA3  GLY  47           HA1      GLY  47  10.532   6.024  -0.988
  373    H    GLY  48           HN       GLY  48  11.560   3.101  -0.309
  374    HA2  GLY  48           HA2      GLY  48  12.808   3.918   2.245
  375    HA3  GLY  48           HA1      GLY  48  12.286   2.266   1.955
  376    HA   PRO  49           HA       PRO  49  16.731   2.881   0.540
  377    HB2  PRO  49           HB2      PRO  49  17.609   1.322   2.828
  378    HB3  PRO  49           HB1      PRO  49  18.056   2.967   2.370
  379    HG2  PRO  49           HG2      PRO  49  16.553   2.411   4.562
  380    HG3  PRO  49           HG1      PRO  49  16.384   3.915   3.637
  381    HD2  PRO  49           HD2      PRO  49  14.726   1.421   3.507
  382    HD3  PRO  49           HD1      PRO  49  14.185   3.112   3.558
  383    H    LYS  50           HN       LYS  50  14.604   0.320   1.224
  384    HA   LYS  50           HA       LYS  50  16.436  -1.725   0.291
  385    HB2  LYS  50           HB2      LYS  50  14.039  -2.998   0.434
  386    HB3  LYS  50           HB1      LYS  50  15.247  -2.940   1.706
  387    HG2  LYS  50           HG2      LYS  50  13.135  -0.844   1.478
  388    HG3  LYS  50           HG1      LYS  50  12.848  -2.385   2.276
  389    HD2  LYS  50           HD2      LYS  50  14.644  -1.986   3.824
  390    HD3  LYS  50           HD1      LYS  50  15.080  -0.502   2.970
  391    HE2  LYS  50           HE2      LYS  50  13.820   0.411   4.637
  392    HE3  LYS  50           HE1      LYS  50  12.540   0.074   3.479
  393    HZ1  LYS  50           HZ       LYS  50  11.629  -1.213   5.103
  394    H    TRP  51           HN       TRP  51  13.044  -1.380  -0.547
  395    HA   TRP  51           HA       TRP  51  13.208  -2.372  -3.117
  396    HB2  TRP  51           HB2      TRP  51  11.087  -0.726  -3.376
  397    HB3  TRP  51           HB1      TRP  51  11.019  -2.255  -2.508
  398    HD1  TRP  51           HD1      TRP  51  12.092   1.340  -1.457
  399    HE1  TRP  51           HE1      TRP  51  10.962   1.863   0.792
  400    HE3  TRP  51           HE3      TRP  51   9.497  -3.012  -0.800
  401    HZ2  TRP  51           HZ2      TRP  51   9.227   0.614   2.609
  402    HZ3  TRP  51           HZ3      TRP  51   8.129  -3.275   1.228
  403    HH2  TRP  51           HH2      TRP  51   7.987  -1.494   2.896
  Start of MODEL    8
    1    H1   ALA 106           HT1      ALA 106 -10.503  -8.839  13.406
    2    H2   ALA 106           HT2      ALA 106 -11.406  -7.519  12.858
    3    H3   ALA 106           HT3      ALA 106  -9.778  -7.664  12.430
    4    HA   ALA 106           HA       ALA 106 -10.237  -9.636  11.149
    5    HB1  ALA 106           HB1      ALA 106 -12.106 -10.440  12.517
    6    HB2  ALA 106           HB2      ALA 106 -12.525 -10.386  10.805
    7    HB3  ALA 106           HB3      ALA 106 -13.116  -9.134  11.897
    8    H    ALA 107           HN       ALA 107 -10.258  -6.567  11.115
    9    HA   ALA 107           HA       ALA 107 -11.820  -6.063   8.701
   10    HB1  ALA 107           HB1      ALA 107 -11.918  -4.420  10.511
   11    HB2  ALA 107           HB2      ALA 107 -11.248  -3.720   9.037
   12    HB3  ALA 107           HB3      ALA 107 -10.180  -4.160  10.370
   13    H    ALA 108           HN       ALA 108  -8.568  -4.944   9.619
   14    HA   ALA 108           HA       ALA 108  -7.704  -5.402   6.857
   15    HB1  ALA 108           HB1      ALA 108  -5.838  -3.920   7.380
   16    HB2  ALA 108           HB2      ALA 108  -6.377  -3.820   9.056
   17    HB3  ALA 108           HB3      ALA 108  -7.380  -3.155   7.766
   18    H    THR 109           HN       THR 109  -7.339  -7.629   6.915
   19    HA   THR 109           HA       THR 109  -5.466  -8.698   8.869
   20    HB   THR 109           HB       THR 109  -5.880 -10.875   7.719
   21    HG1  THR 109           HG1      THR 109  -6.450  -9.974   5.656
   22   HG21  THR 109          HG21      THR 109  -8.352  -9.376   8.591
   23   HG22  THR 109          HG22      THR 109  -7.222 -10.219   9.652
   24   HG23  THR 109          HG23      THR 109  -8.192 -11.129   8.495
   25    H    ASN 110           HN       ASN 110  -3.383  -8.381   8.515
   26    HA   ASN 110           HA       ASN 110  -1.337  -8.366   7.546
   27    HB2  ASN 110           HB2      ASN 110  -2.692  -9.976   5.374
   28    HB3  ASN 110           HB1      ASN 110  -0.952  -9.788   5.570
   29   HD21  ASN 110          HD21      ASN 110   0.087 -10.821   7.273
   30   HD22  ASN 110          HD22      ASN 110  -0.656 -12.106   8.158
   31    HA   PRO 111           HA       PRO 111  -1.310  -4.777   4.985
   32    HB2  PRO 111           HB2      PRO 111   1.368  -5.616   4.057
   33    HB3  PRO 111           HB1      PRO 111   0.876  -4.160   4.915
   34    HG2  PRO 111           HG2      PRO 111   2.251  -6.083   6.150
   35    HG3  PRO 111           HG1      PRO 111   0.961  -5.198   6.988
   36    HD2  PRO 111           HD2      PRO 111   0.874  -7.924   5.728
   37    HD3  PRO 111           HD1      PRO 111   0.232  -7.393   7.298
   38    H    ALA 112           HN       ALA 112   0.977  -6.226   2.887
   39    HA   ALA 112           HA       ALA 112  -0.173  -5.683   0.517
   40    HB1  ALA 112           HB1      ALA 112   1.423  -8.170   1.104
   41    HB2  ALA 112           HB2      ALA 112   2.086  -6.569   0.776
   42    HB3  ALA 112           HB3      ALA 112   1.193  -7.429  -0.480
   43    H    ARG 113           HN       ARG 113  -0.896  -8.540   2.482
   44    HA   ARG 113           HA       ARG 113  -2.403  -9.958   0.620
   45    HB2  ARG 113           HB2      ARG 113  -2.843  -9.816   3.605
   46    HB3  ARG 113           HB1      ARG 113  -3.383 -11.093   2.532
   47    HG2  ARG 113           HG2      ARG 113  -0.498 -10.395   3.010
   48    HG3  ARG 113           HG1      ARG 113  -1.371 -11.673   3.856
   49    HD2  ARG 113           HD2      ARG 113  -0.187 -12.733   2.107
   50    HD3  ARG 113           HD1      ARG 113  -1.870 -12.664   1.588
   51    HE   ARG 113           HE       ARG 113  -0.410 -10.420   0.639
   52   HH11  ARG 113          HH11      ARG 113  -0.937 -13.818   0.079
   53   HH12  ARG 113          HH12      ARG 113  -0.546 -13.734  -1.605
   54   HH21  ARG 113          HH21      ARG 113   0.108 -10.301  -1.582
   55   HH22  ARG 113          HH22      ARG 113   0.045 -11.735  -2.550
   56    H    TYR 114           HN       TYR 114  -3.429  -7.507   2.983
   57    HA   TYR 114           HA       TYR 114  -6.167  -7.556   2.116
   58    HB2  TYR 114           HB2      TYR 114  -5.934  -6.878   4.344
   59    HB3  TYR 114           HB1      TYR 114  -4.568  -5.827   3.987
   60    HD1  TYR 114           HD1      TYR 114  -8.201  -6.175   3.965
   61    HD2  TYR 114           HD2      TYR 114  -4.940  -3.554   3.194
   62    HE1  TYR 114           HE1      TYR 114  -9.748  -4.282   3.899
   63    HE2  TYR 114           HE2      TYR 114  -6.488  -1.647   3.120
   64    HH   TYR 114           HH       TYR 114  -9.701  -1.841   4.202
   65    H    CYS 115           HN       CYS 115  -3.354  -5.554   1.503
   66    HA   CYS 115           HA       CYS 115  -4.654  -3.502   0.071
   67    HB2  CYS 115           HB2      CYS 115  -1.788  -4.451   0.079
   68    HB3  CYS 115           HB1      CYS 115  -2.333  -3.005  -0.764
   69    H    CYS 116           HN       CYS 116  -3.846  -6.709  -0.787
   70    HA   CYS 116           HA       CYS 116  -3.770  -6.150  -3.638
   71    HB2  CYS 116           HB2      CYS 116  -2.243  -7.835  -2.763
   72    HB3  CYS 116           HB1      CYS 116  -3.591  -8.751  -2.103
   73    H    LEU 117           HN       LEU 117  -5.697  -8.257  -1.505
   74    HA   LEU 117           HA       LEU 117  -7.644  -8.956  -3.362
   75    HB2  LEU 117           HB2      LEU 117  -7.852  -8.682  -0.383
   76    HB3  LEU 117           HB1      LEU 117  -9.063  -9.456  -1.381
   77    HG   LEU 117           HG       LEU 117  -6.205 -10.384  -1.076
   78   HD11  LEU 117          HD11      LEU 117  -7.216 -12.278   0.144
   79   HD12  LEU 117          HD12      LEU 117  -8.774 -11.451   0.087
   80   HD13  LEU 117          HD13      LEU 117  -7.427 -10.735   0.973
   81   HD21  LEU 117          HD21      LEU 117  -6.992 -12.389  -2.261
   82   HD22  LEU 117          HD22      LEU 117  -7.109 -10.939  -3.258
   83   HD23  LEU 117          HD23      LEU 117  -8.557 -11.614  -2.511
   84    H    SER 118           HN       SER 118  -8.565  -6.946  -0.607
   85    HA   SER 118           HA       SER 118 -10.670  -5.724  -2.036
   86    HB2  SER 118           HB2      SER 118 -10.884  -4.259  -0.046
   87    HB3  SER 118           HB1      SER 118 -10.769  -5.965   0.385
   88    HG   SER 118           HG       SER 118  -8.518  -5.588   0.785
   89    H    GLY 119           HN       GLY 119  -7.562  -4.398  -0.889
   90    HA2  GLY 119           HA2      GLY 119  -6.487  -3.080  -2.835
   91    HA3  GLY 119           HA1      GLY 119  -7.956  -2.125  -2.712
   92    H    CYS 120           HN       CYS 120  -5.605  -0.843  -2.462
   93    HA   CYS 120           HA       CYS 120  -5.755   0.100   0.282
   94    HB2  CYS 120           HB2      CYS 120  -3.480  -1.422  -0.780
   95    HB3  CYS 120           HB1      CYS 120  -3.035   0.110  -0.036
   96    H    THR 121           HN       THR 121  -5.341   2.239   0.481
   97    HA   THR 121           HA       THR 121  -4.838   3.684  -2.017
   98    HB   THR 121           HB       THR 121  -5.907   5.562  -1.070
   99    HG1  THR 121           HG1      THR 121  -5.661   5.984   0.987
  100   HG21  THR 121          HG21      THR 121  -7.454   3.707  -1.630
  101   HG22  THR 121          HG22      THR 121  -8.064   4.718  -0.316
  102   HG23  THR 121          HG23      THR 121  -7.347   3.150   0.041
  103    H    GLN 122           HN       GLN 122  -3.770   5.967  -1.451
  104    HA   GLN 122           HA       GLN 122  -1.065   5.457  -0.902
  105    HB2  GLN 122           HB2      GLN 122  -2.093   7.402  -2.189
  106    HB3  GLN 122           HB1      GLN 122  -2.396   8.150  -0.631
  107    HG2  GLN 122           HG2      GLN 122  -0.030   8.144  -0.129
  108    HG3  GLN 122           HG1      GLN 122   0.307   7.322  -1.650
  109   HE21  GLN 122          HE21      GLN 122   1.269   9.885  -0.659
  110   HE22  GLN 122          HE22      GLN 122   0.805  11.061  -1.836
  111    H    GLN 123           HN       GLN 123  -3.682   5.961   1.199
  112    HA   GLN 123           HA       GLN 123  -2.141   6.942   3.428
  113    HB2  GLN 123           HB2      GLN 123  -4.952   5.859   3.220
  114    HB3  GLN 123           HB1      GLN 123  -4.245   6.425   4.726
  115    HG2  GLN 123           HG2      GLN 123  -3.867   8.634   3.616
  116    HG3  GLN 123           HG1      GLN 123  -4.802   8.032   2.249
  117   HE21  GLN 123          HE21      GLN 123  -6.373   9.618   2.532
  118   HE22  GLN 123          HE22      GLN 123  -7.518   9.554   3.824
  119    H    ASP 124           HN       ASP 124  -3.950   3.921   2.902
  120    HA   ASP 124           HA       ASP 124  -2.919   2.487   5.032
  121    HB2  ASP 124           HB2      ASP 124  -3.787   1.478   2.314
  122    HB3  ASP 124           HB1      ASP 124  -3.522   0.451   3.719
  123    H    LEU 125           HN       LEU 125  -1.418   3.439   2.091
  124    HA   LEU 125           HA       LEU 125   0.738   1.538   2.239
  125    HB2  LEU 125           HB2      LEU 125   0.241   1.957   0.064
  126    HB3  LEU 125           HB1      LEU 125  -0.540   3.459   0.438
  127    HG   LEU 125           HG       LEU 125   1.583   4.563   0.529
  128   HD11  LEU 125          HD11      LEU 125   3.562   3.238  -0.372
  129   HD12  LEU 125          HD12      LEU 125   2.585   1.811  -0.026
  130   HD13  LEU 125          HD13      LEU 125   3.065   2.882   1.286
  131   HD21  LEU 125          HD21      LEU 125   0.365   4.455  -1.565
  132   HD22  LEU 125          HD22      LEU 125   1.160   2.933  -1.921
  133   HD23  LEU 125          HD23      LEU 125   2.103   4.402  -1.858
  134    H    LEU 126           HN       LEU 126   0.055   4.972   2.493
  135    HA   LEU 126           HA       LEU 126   2.310   6.262   2.924
  136    HB2  LEU 126           HB2      LEU 126  -0.266   6.760   3.523
  137    HB3  LEU 126           HB1      LEU 126   0.396   6.627   5.136
  138    HG   LEU 126           HG       LEU 126   1.528   8.452   3.046
  139   HD11  LEU 126          HD11      LEU 126  -0.789   9.081   3.526
  140   HD12  LEU 126          HD12      LEU 126   0.346  10.266   4.171
  141   HD13  LEU 126          HD13      LEU 126  -0.425   9.104   5.251
  142   HD21  LEU 126          HD21      LEU 126   2.381   9.568   5.198
  143   HD22  LEU 126          HD22      LEU 126   3.156   8.070   4.683
  144   HD23  LEU 126          HD23      LEU 126   1.968   8.042   5.988
  145    H    THR 127           HN       THR 127   0.834   4.120   5.298
  146    HA   THR 127           HA       THR 127   3.249   4.397   6.937
  147    HB   THR 127           HB       THR 127   1.374   5.017   8.198
  148    HG1  THR 127           HG1      THR 127   2.591   3.757   9.519
  149   HG21  THR 127          HG21      THR 127  -0.302   4.013   6.701
  150   HG22  THR 127          HG22      THR 127  -0.632   3.679   8.403
  151   HG23  THR 127          HG23      THR 127   0.069   2.427   7.375
  152    H    LEU 128           HN       LEU 128   1.897   2.217   4.755
  153    HA   LEU 128           HA       LEU 128   2.848  -0.130   6.169
  154    HB2  LEU 128           HB2      LEU 128   1.225   0.305   3.760
  155    HB3  LEU 128           HB1      LEU 128   2.237  -1.113   3.749
  156    HG   LEU 128           HG       LEU 128   0.213  -0.460   5.882
  157   HD11  LEU 128          HD11      LEU 128   0.146  -2.443   3.599
  158   HD12  LEU 128          HD12      LEU 128  -0.906  -1.042   3.809
  159   HD13  LEU 128          HD13      LEU 128  -1.011  -2.395   4.931
  160   HD21  LEU 128          HD21      LEU 128   2.056  -1.709   6.764
  161   HD22  LEU 128          HD22      LEU 128   2.013  -2.795   5.376
  162   HD23  LEU 128          HD23      LEU 128   0.692  -2.813   6.548
  163    H    CYS 129           HN       CYS 129   4.695   2.063   4.792
  164    HA   CYS 129           HA       CYS 129   6.292   0.076   3.357
  165    HB2  CYS 129           HB2      CYS 129   7.371   2.693   3.106
  166    HB3  CYS 129           HB1      CYS 129   6.716   1.636   1.864
  167    HA   PRO 130           HA       PRO 130   9.451   2.288   6.442
  168    HB2  PRO 130           HB2      PRO 130   7.581   2.645   8.716
  169    HB3  PRO 130           HB1      PRO 130   8.874   3.702   8.144
  170    HG2  PRO 130           HG2      PRO 130   6.301   4.303   7.734
  171    HG3  PRO 130           HG1      PRO 130   7.545   4.673   6.525
  172    HD2  PRO 130           HD2      PRO 130   5.522   2.472   6.551
  173    HD3  PRO 130           HD1      PRO 130   6.136   3.428   5.192
  174    H    TYR 131           HN       TYR 131   9.497  -0.194   6.042
  175    HA   TYR 131           HA       TYR 131   9.703  -1.482   8.643
  176    HB2  TYR 131           HB2      TYR 131   8.163  -2.828   6.411
  177    HB3  TYR 131           HB1      TYR 131   8.421  -3.437   8.042
  178    HD1  TYR 131           HD1      TYR 131   6.644  -0.922   6.027
  179    HD2  TYR 131           HD2      TYR 131   7.032  -2.735   9.853
  180    HE1  TYR 131           HE1      TYR 131   4.597   0.192   6.736
  181    HE2  TYR 131           HE2      TYR 131   4.951  -1.645  10.583
  182    HH   TYR 131           HH       TYR 131   3.587   0.279  10.011
  183    H    GLY 132           HN       GLY 132   9.641  -2.598   5.278
  184    HA2  GLY 132           HA2      GLY 132  12.320  -3.740   5.664
  185    HA3  GLY 132           HA1      GLY 132  11.160  -4.226   4.436
  186    H2   PRO  25           HT1      PRO  25 -13.270  12.767   5.487
  187    H3   PRO  25           HT2      PRO  25 -14.573  11.895   5.945
  188    HA   PRO  25           HA       PRO  25 -15.335  12.035   4.004
  189    HB2  PRO  25           HB2      PRO  25 -15.558  14.923   3.699
  190    HB3  PRO  25           HB1      PRO  25 -16.835  13.705   3.832
  191    HG2  PRO  25           HG2      PRO  25 -16.277  15.452   5.825
  192    HG3  PRO  25           HG1      PRO  25 -16.888  13.815   6.122
  193    HD2  PRO  25           HD2      PRO  25 -14.070  14.846   6.294
  194    HD3  PRO  25           HD1      PRO  25 -14.940  13.778   7.410
  195    H    THR  26           HN       THR  26 -13.518  11.326   2.886
  196    HA   THR  26           HA       THR  26 -12.311  13.340   1.159
  197    HB   THR  26           HB       THR  26 -10.649  13.216   2.876
  198    HG1  THR  26           HG1      THR  26  -9.920  11.602   0.641
  199   HG21  THR  26          HG21      THR  26 -10.744  10.215   2.539
  200   HG22  THR  26          HG22      THR  26 -11.340  11.124   3.929
  201   HG23  THR  26          HG23      THR  26  -9.614  11.099   3.564
  202    HA   PRO  27           HA       PRO  27 -12.863   9.949  -1.669
  203    HB2  PRO  27           HB2      PRO  27 -12.037  11.149  -3.906
  204    HB3  PRO  27           HB1      PRO  27 -13.498  11.683  -3.068
  205    HG2  PRO  27           HG2      PRO  27 -10.803  12.933  -3.157
  206    HG3  PRO  27           HG1      PRO  27 -12.395  13.699  -3.034
  207    HD2  PRO  27           HD2      PRO  27 -10.591  13.177  -0.920
  208    HD3  PRO  27           HD1      PRO  27 -12.271  13.722  -0.772
  209    H    GLU  28           HN       GLU  28 -11.483   8.269  -1.277
  210    HA   GLU  28           HA       GLU  28  -8.648   8.556  -1.886
  211    HB2  GLU  28           HB2      GLU  28 -10.155   6.215  -0.711
  212    HB3  GLU  28           HB1      GLU  28  -8.413   6.373  -0.828
  213    HG2  GLU  28           HG2      GLU  28 -10.195   8.186   0.773
  214    HG3  GLU  28           HG1      GLU  28  -9.271   6.834   1.427
  215    H    MET  29           HN       MET  29  -7.862   6.135  -2.699
  216    HA   MET  29           HA       MET  29  -9.483   5.043  -4.786
  217    HB2  MET  29           HB2      MET  29  -8.764   7.080  -5.925
  218    HB3  MET  29           HB1      MET  29  -7.082   6.707  -5.568
  219    HG2  MET  29           HG2      MET  29  -7.236   4.699  -6.952
  220    HG3  MET  29           HG1      MET  29  -8.918   5.079  -7.312
  221    HE1  MET  29           HE1      MET  29  -8.276   4.831  -9.919
  222    HE2  MET  29           HE2      MET  29  -6.596   4.524  -9.482
  223    HE3  MET  29           HE3      MET  29  -6.983   5.753 -10.686
  224    H    ARG  30           HN       ARG  30  -9.038   3.101  -3.763
  225    HA   ARG  30           HA       ARG  30  -6.480   2.163  -3.073
  226    HB2  ARG  30           HB2      ARG  30  -9.080   0.787  -3.670
  227    HB3  ARG  30           HB1      ARG  30  -7.639  -0.133  -3.263
  228    HG2  ARG  30           HG2      ARG  30  -8.582   0.045  -1.206
  229    HG3  ARG  30           HG1      ARG  30  -7.623   1.527  -1.205
  230    HD2  ARG  30           HD2      ARG  30  -9.663   2.702  -2.113
  231    HD3  ARG  30           HD1      ARG  30 -10.564   1.227  -1.772
  232    HE   ARG  30           HE       ARG  30  -9.453   1.728   0.604
  233   HH11  ARG  30          HH11      ARG  30 -11.137   3.812  -1.624
  234   HH12  ARG  30          HH12      ARG  30 -11.764   4.845  -0.383
  235   HH21  ARG  30          HH21      ARG  30 -10.276   3.084   2.243
  236   HH22  ARG  30          HH22      ARG  30 -11.277   4.431   1.814
  237    H    GLU  31           HN       GLU  31  -5.106   0.655  -4.125
  238    HA   GLU  31           HA       GLU  31  -5.511   0.426  -7.028
  239    HB2  GLU  31           HB2      GLU  31  -2.864   0.867  -5.664
  240    HB3  GLU  31           HB1      GLU  31  -3.164   0.800  -7.389
  241    HG2  GLU  31           HG2      GLU  31  -4.488   2.842  -7.254
  242    HG3  GLU  31           HG1      GLU  31  -4.202   2.910  -5.516
  243    H    LYS  32           HN       LYS  32  -6.222  -1.553  -5.116
  244    HA   LYS  32           HA       LYS  32  -5.581  -3.605  -4.224
  245    HB2  LYS  32           HB2      LYS  32  -5.694  -3.849  -7.202
  246    HB3  LYS  32           HB1      LYS  32  -5.864  -5.159  -6.061
  247    HG2  LYS  32           HG2      LYS  32  -7.736  -3.568  -5.078
  248    HG3  LYS  32           HG1      LYS  32  -7.773  -3.038  -6.761
  249    HD2  LYS  32           HD2      LYS  32  -7.996  -5.425  -7.425
  250    HD3  LYS  32           HD1      LYS  32  -8.147  -5.840  -5.721
  251    HE2  LYS  32           HE2      LYS  32 -10.335  -5.662  -6.818
  252    HE3  LYS  32           HE1      LYS  32 -10.138  -4.474  -5.530
  253    HZ1  LYS  32           HZ1      LYS  32  -9.639  -2.799  -7.191
  254    HZ2  LYS  32           HZ2      LYS  32 -11.145  -3.502  -7.503
  255    HZ3  LYS  32           HZ3      LYS  32  -9.800  -3.936  -8.432
  256    H    LEU  33           HN       LEU  33  -3.347  -2.389  -3.919
  257    HA   LEU  33           HA       LEU  33  -1.102  -3.178  -5.403
  258    HB2  LEU  33           HB2      LEU  33  -1.201  -2.448  -2.480
  259    HB3  LEU  33           HB1      LEU  33   0.183  -2.343  -3.545
  260    HG   LEU  33           HG       LEU  33  -2.315  -0.678  -3.778
  261   HD11  LEU  33          HD11      LEU  33   0.454   0.137  -2.940
  262   HD12  LEU  33          HD12      LEU  33  -0.897  -0.118  -1.836
  263   HD13  LEU  33          HD13      LEU  33  -0.972   1.170  -3.038
  264   HD21  LEU  33          HD21      LEU  33  -1.257  -1.153  -5.936
  265   HD22  LEU  33          HD22      LEU  33   0.245  -0.502  -5.302
  266   HD23  LEU  33          HD23      LEU  33  -1.147   0.548  -5.486
  267    H    CYS  34           HN       CYS  34  -0.519  -5.224  -5.711
  268    HA   CYS  34           HA       CYS  34  -0.900  -7.156  -3.554
  269    HB2  CYS  34           HB2      CYS  34  -0.356  -7.549  -6.498
  270    HB3  CYS  34           HB1      CYS  34  -0.566  -8.847  -5.334
  271    H    GLY  35           HN       GLY  35   1.416  -7.916  -6.001
  272    HA2  GLY  35           HA2      GLY  35   3.473  -8.150  -3.980
  273    HA3  GLY  35           HA1      GLY  35   3.587  -8.673  -5.653
  274    H    HIS  36           HN       HIS  36   4.625  -7.412  -7.098
  275    HA   HIS  36           HA       HIS  36   6.334  -5.380  -6.227
  276    HB2  HIS  36           HB2      HIS  36   6.624  -4.891  -8.681
  277    HB3  HIS  36           HB1      HIS  36   6.873  -6.573  -8.229
  278    HD1  HIS  36           HD1      HIS  36   5.117  -8.301  -9.095
  279    HD2  HIS  36           HD2      HIS  36   4.438  -4.387 -10.313
  280    HE1  HIS  36           HE1      HIS  36   3.385  -8.420 -10.934
  281    H    HIS  37           HN       HIS  37   3.018  -5.262  -7.253
  282    HA   HIS  37           HA       HIS  37   2.850  -2.555  -7.995
  283    HB2  HIS  37           HB2      HIS  37   0.688  -4.178  -6.634
  284    HB3  HIS  37           HB1      HIS  37   0.464  -2.745  -7.628
  285    HD1  HIS  37           HD1      HIS  37   0.446  -6.362  -7.844
  286    HD2  HIS  37           HD2      HIS  37   1.291  -3.205 -10.410
  287    HE1  HIS  37           HE1      HIS  37   0.315  -7.297 -10.191
  288    H    PHE  38           HN       PHE  38   2.397  -4.141  -4.833
  289    HA   PHE  38           HA       PHE  38   1.871  -1.698  -3.487
  290    HB2  PHE  38           HB2      PHE  38   1.341  -4.105  -2.677
  291    HB3  PHE  38           HB1      PHE  38   3.002  -4.120  -2.099
  292    HD1  PHE  38           HD1      PHE  38   1.972  -0.814  -1.853
  293    HD2  PHE  38           HD2      PHE  38   1.367  -4.590   0.022
  294    HE1  PHE  38           HE1      PHE  38   1.263   0.313   0.198
  295    HE2  PHE  38           HE2      PHE  38   0.661  -3.459   2.069
  296    HZ   PHE  38           HZ       PHE  38   0.602  -0.999   2.160
  297    H    VAL  39           HN       VAL  39   4.763  -3.766  -3.644
  298    HA   VAL  39           HA       VAL  39   6.524  -2.263  -2.148
  299    HB   VAL  39           HB       VAL  39   7.108  -3.761  -4.716
  300   HG11  VAL  39          HG11      VAL  39   9.391  -3.961  -3.878
  301   HG12  VAL  39          HG12      VAL  39   8.977  -2.941  -2.500
  302   HG13  VAL  39          HG13      VAL  39   8.940  -2.277  -4.133
  303   HG21  VAL  39          HG21      VAL  39   5.989  -5.116  -2.999
  304   HG22  VAL  39          HG22      VAL  39   7.260  -4.693  -1.852
  305   HG23  VAL  39          HG23      VAL  39   7.646  -5.644  -3.286
  306    H    ARG  40           HN       ARG  40   5.306  -1.627  -5.358
  307    HA   ARG  40           HA       ARG  40   7.213   0.421  -6.013
  308    HB2  ARG  40           HB2      ARG  40   5.562  -1.033  -7.507
  309    HB3  ARG  40           HB1      ARG  40   4.490   0.328  -7.241
  310    HG2  ARG  40           HG2      ARG  40   6.201   1.833  -8.163
  311    HG3  ARG  40           HG1      ARG  40   7.226   0.434  -8.491
  312    HD2  ARG  40           HD2      ARG  40   5.393  -0.495  -9.900
  313    HD3  ARG  40           HD1      ARG  40   4.510   1.013  -9.664
  314    HE   ARG  40           HE       ARG  40   7.101   1.549 -10.658
  315   HH11  ARG  40          HH11      ARG  40   4.005   0.291 -11.647
  316   HH12  ARG  40          HH12      ARG  40   4.204   0.751 -13.304
  317   HH21  ARG  40          HH21      ARG  40   7.370   2.158 -12.838
  318   HH22  ARG  40          HH22      ARG  40   6.115   1.811 -13.982
  319    H    ALA  41           HN       ALA  41   3.703   0.546  -5.402
  320    HA   ALA  41           HA       ALA  41   3.419   3.259  -5.029
  321    HB1  ALA  41           HB1      ALA  41   1.358   2.797  -4.016
  322    HB2  ALA  41           HB2      ALA  41   1.938   1.286  -3.313
  323    HB3  ALA  41           HB3      ALA  41   1.639   1.394  -5.050
  324    H    LEU  42           HN       LEU  42   4.894   0.883  -3.076
  325    HA   LEU  42           HA       LEU  42   4.880   2.302  -0.603
  326    HB2  LEU  42           HB2      LEU  42   6.249  -0.141  -1.665
  327    HB3  LEU  42           HB1      LEU  42   6.677   0.509  -0.108
  328    HG   LEU  42           HG       LEU  42   3.863  -0.254  -0.816
  329   HD11  LEU  42          HD11      LEU  42   4.437  -2.386  -0.666
  330   HD12  LEU  42          HD12      LEU  42   4.934  -2.060   0.993
  331   HD13  LEU  42          HD13      LEU  42   6.112  -1.951  -0.311
  332   HD21  LEU  42          HD21      LEU  42   3.444  -0.168   1.502
  333   HD22  LEU  42          HD22      LEU  42   4.324   1.302   1.107
  334   HD23  LEU  42          HD23      LEU  42   5.159  -0.038   1.879
  335    H    VAL  43           HN       VAL  43   7.398   1.500  -2.985
  336    HA   VAL  43           HA       VAL  43   9.424   3.076  -1.906
  337    HB   VAL  43           HB       VAL  43   9.495   1.210  -3.698
  338   HG11  VAL  43          HG11      VAL  43   8.923   3.631  -5.364
  339   HG12  VAL  43          HG12      VAL  43   8.149   2.047  -5.407
  340   HG13  VAL  43          HG13      VAL  43   9.798   2.240  -5.999
  341   HG21  VAL  43          HG21      VAL  43  11.635   1.955  -4.440
  342   HG22  VAL  43          HG22      VAL  43  11.393   2.432  -2.760
  343   HG23  VAL  43          HG23      VAL  43  11.237   3.629  -4.045
  344    H    ARG  44           HN       ARG  44   6.545   4.031  -3.205
  345    HA   ARG  44           HA       ARG  44   7.509   6.456  -4.478
  346    HB2  ARG  44           HB2      ARG  44   5.743   5.317  -5.599
  347    HB3  ARG  44           HB1      ARG  44   4.774   5.290  -4.138
  348    HG2  ARG  44           HG2      ARG  44   4.656   7.753  -4.215
  349    HG3  ARG  44           HG1      ARG  44   5.517   7.711  -5.748
  350    HD2  ARG  44           HD2      ARG  44   2.847   6.434  -5.177
  351    HD3  ARG  44           HD1      ARG  44   3.112   7.910  -6.103
  352    HE   ARG  44           HE       ARG  44   4.548   5.664  -7.150
  353   HH11  ARG  44          HH11      ARG  44   1.464   7.287  -7.107
  354   HH12  ARG  44          HH12      ARG  44   0.968   6.656  -8.642
  355   HH21  ARG  44          HH21      ARG  44   3.901   4.829  -9.171
  356   HH22  ARG  44          HH22      ARG  44   2.351   5.257  -9.814
  357    H    VAL  45           HN       VAL  45   5.156   5.722  -1.882
  358    HA   VAL  45           HA       VAL  45   5.116   8.481  -1.070
  359    HB   VAL  45           HB       VAL  45   3.307   7.993   0.232
  360   HG11  VAL  45          HG11      VAL  45   2.778   7.265  -2.025
  361   HG12  VAL  45          HG12      VAL  45   1.931   6.261  -0.830
  362   HG13  VAL  45          HG13      VAL  45   3.371   5.641  -1.649
  363   HG21  VAL  45          HG21      VAL  45   4.523   5.288   0.718
  364   HG22  VAL  45          HG22      VAL  45   2.882   5.712   1.214
  365   HG23  VAL  45          HG23      VAL  45   4.262   6.593   1.878
  366    H    CYS  46           HN       CYS  46   6.683   5.564   0.099
  367    HA   CYS  46           HA       CYS  46   7.734   7.090   2.392
  368    HB2  CYS  46           HB2      CYS  46   7.585   4.102   1.978
  369    HB3  CYS  46           HB1      CYS  46   8.176   4.886   3.430
  370    H    GLY  47           HN       GLY  47   8.576   5.493  -0.544
  371    HA2  GLY  47           HA2      GLY  47  10.604   5.006  -1.537
  372    HA3  GLY  47           HA1      GLY  47  11.037   6.589  -0.909
  373    H    GLY  48           HN       GLY  48  10.732   3.215   0.212
  374    HA2  GLY  48           HA2      GLY  48  12.601   3.558   2.335
  375    HA3  GLY  48           HA1      GLY  48  11.985   2.026   1.736
  376    HA   PRO  49           HA       PRO  49  16.362   2.876   0.091
  377    HB2  PRO  49           HB2      PRO  49  17.802   2.127   2.441
  378    HB3  PRO  49           HB1      PRO  49  17.720   3.716   1.682
  379    HG2  PRO  49           HG2      PRO  49  16.666   3.090   4.163
  380    HG3  PRO  49           HG1      PRO  49  16.167   4.468   3.166
  381    HD2  PRO  49           HD2      PRO  49  14.864   1.796   3.501
  382    HD3  PRO  49           HD1      PRO  49  14.119   3.403   3.350
  383    H    LYS  50           HN       LYS  50  14.533   0.440   0.685
  384    HA   LYS  50           HA       LYS  50  16.643  -1.612   0.510
  385    HB2  LYS  50           HB2      LYS  50  13.806  -1.807   1.515
  386    HB3  LYS  50           HB1      LYS  50  14.788  -3.218   1.157
  387    HG2  LYS  50           HG2      LYS  50  14.963  -2.903   3.471
  388    HG3  LYS  50           HG1      LYS  50  16.477  -2.292   2.802
  389    HD2  LYS  50           HD2      LYS  50  15.602  -0.801   4.530
  390    HD3  LYS  50           HD1      LYS  50  15.630  -0.006   2.956
  391    HE2  LYS  50           HE2      LYS  50  13.559   0.490   4.132
  392    HE3  LYS  50           HE1      LYS  50  13.240  -0.463   2.684
  393    HZ1  LYS  50           HZ       LYS  50  13.055  -1.402   5.457
  394    H    TRP  51           HN       TRP  51  13.215  -1.647  -0.380
  395    HA   TRP  51           HA       TRP  51  13.442  -3.243  -2.615
  396    HB2  TRP  51           HB2      TRP  51  11.281  -1.872  -3.328
  397    HB3  TRP  51           HB1      TRP  51  11.251  -3.006  -1.983
  398    HD1  TRP  51           HD1      TRP  51  12.445   0.688  -2.035
  399    HE1  TRP  51           HE1      TRP  51  11.172   1.955  -0.205
  400    HE3  TRP  51           HE3      TRP  51   9.383  -3.069  -0.408
  401    HZ2  TRP  51           HZ2      TRP  51   9.156   1.446   1.688
  402    HZ3  TRP  51           HZ3      TRP  51   7.808  -2.593   1.424
  403    HH2  TRP  51           HH2      TRP  51   7.696  -0.375   2.449
  Start of MODEL    9
    1    H1   ALA 106           HT1      ALA 106  -7.771  -1.363  12.328
    2    H2   ALA 106           HT2      ALA 106  -7.589   0.142  11.577
    3    H3   ALA 106           HT3      ALA 106  -7.364  -1.279  10.687
    4    HA   ALA 106           HA       ALA 106  -9.915  -0.387  11.898
    5    HB1  ALA 106           HB1      ALA 106  -9.061  -0.445   9.006
    6    HB2  ALA 106           HB2      ALA 106  -9.245   0.999  10.001
    7    HB3  ALA 106           HB3      ALA 106 -10.653   0.014   9.608
    8    H    ALA 107           HN       ALA 107  -8.809  -2.894  12.455
    9    HA   ALA 107           HA       ALA 107  -9.296  -5.115  12.441
   10    HB1  ALA 107           HB1      ALA 107 -11.879  -4.219  11.171
   11    HB2  ALA 107           HB2      ALA 107 -11.552  -4.261  12.903
   12    HB3  ALA 107           HB3      ALA 107 -11.585  -5.760  11.976
   13    H    ALA 108           HN       ALA 108  -7.588  -4.580  10.495
   14    HA   ALA 108           HA       ALA 108  -8.632  -5.777   8.028
   15    HB1  ALA 108           HB1      ALA 108  -6.596  -4.970   6.964
   16    HB2  ALA 108           HB2      ALA 108  -5.994  -4.399   8.521
   17    HB3  ALA 108           HB3      ALA 108  -7.423  -3.657   7.801
   18    H    THR 109           HN       THR 109  -6.900  -7.190   6.872
   19    HA   THR 109           HA       THR 109  -5.529  -8.916   8.798
   20    HB   THR 109           HB       THR 109  -7.423 -10.220   8.508
   21    HG1  THR 109           HG1      THR 109  -6.433 -11.525   6.386
   22   HG21  THR 109          HG21      THR 109  -8.231  -8.696   6.624
   23   HG22  THR 109          HG22      THR 109  -8.735 -10.385   6.581
   24   HG23  THR 109          HG23      THR 109  -7.430  -9.824   5.533
   25    H    ASN 110           HN       ASN 110  -3.461  -8.742   8.253
   26    HA   ASN 110           HA       ASN 110  -1.529  -8.842   7.076
   27    HB2  ASN 110           HB2      ASN 110  -3.258 -10.186   4.991
   28    HB3  ASN 110           HB1      ASN 110  -1.500 -10.117   4.947
   29   HD21  ASN 110          HD21      ASN 110  -1.265 -12.325   5.031
   30   HD22  ASN 110          HD22      ASN 110  -1.591 -13.246   6.456
   31    HA   PRO 111           HA       PRO 111  -1.752  -4.952   4.906
   32    HB2  PRO 111           HB2      PRO 111   1.072  -5.520   4.231
   33    HB3  PRO 111           HB1      PRO 111   0.370  -4.145   5.077
   34    HG2  PRO 111           HG2      PRO 111   1.772  -5.991   6.392
   35    HG3  PRO 111           HG1      PRO 111   0.330  -5.253   7.115
   36    HD2  PRO 111           HD2      PRO 111   0.625  -7.929   5.786
   37    HD3  PRO 111           HD1      PRO 111  -0.243  -7.505   7.279
   38    H    ALA 112           HN       ALA 112   0.844  -6.363   3.087
   39    HA   ALA 112           HA       ALA 112   0.081  -5.721   0.588
   40    HB1  ALA 112           HB1      ALA 112   1.387  -8.350   1.258
   41    HB2  ALA 112           HB2      ALA 112   2.221  -6.797   1.232
   42    HB3  ALA 112           HB3      ALA 112   1.519  -7.446  -0.251
   43    H    ARG 113           HN       ARG 113  -0.970  -8.638   2.315
   44    HA   ARG 113           HA       ARG 113  -2.361  -9.836   0.200
   45    HB2  ARG 113           HB2      ARG 113  -1.787 -10.677   2.636
   46    HB3  ARG 113           HB1      ARG 113  -3.392 -10.056   2.999
   47    HG2  ARG 113           HG2      ARG 113  -3.553 -12.395   2.523
   48    HG3  ARG 113           HG1      ARG 113  -4.306 -11.496   1.203
   49    HD2  ARG 113           HD2      ARG 113  -2.884 -13.373   0.428
   50    HD3  ARG 113           HD1      ARG 113  -2.365 -11.804  -0.185
   51    HE   ARG 113           HE       ARG 113  -0.998 -12.518   2.213
   52   HH11  ARG 113          HH11      ARG 113  -1.079 -13.051  -1.230
   53   HH12  ARG 113          HH12      ARG 113   0.597 -13.478  -1.332
   54   HH21  ARG 113          HH21      ARG 113   1.206 -13.079   2.087
   55   HH22  ARG 113          HH22      ARG 113   1.896 -13.495   0.553
   56    H    TYR 114           HN       TYR 114  -3.503  -7.626   2.745
   57    HA   TYR 114           HA       TYR 114  -6.168  -7.462   1.765
   58    HB2  TYR 114           HB2      TYR 114  -5.954  -6.834   4.005
   59    HB3  TYR 114           HB1      TYR 114  -4.525  -5.854   3.700
   60    HD1  TYR 114           HD1      TYR 114  -8.185  -6.018   3.284
   61    HD2  TYR 114           HD2      TYR 114  -4.733  -3.529   3.278
   62    HE1  TYR 114           HE1      TYR 114  -9.621  -4.040   3.250
   63    HE2  TYR 114           HE2      TYR 114  -6.169  -1.537   3.239
   64    HH   TYR 114           HH       TYR 114  -9.518  -1.667   3.838
   65    H    CYS 115           HN       CYS 115  -3.207  -5.929   0.922
   66    HA   CYS 115           HA       CYS 115  -4.348  -3.669  -0.415
   67    HB2  CYS 115           HB2      CYS 115  -1.577  -4.878  -0.519
   68    HB3  CYS 115           HB1      CYS 115  -2.021  -3.349  -1.265
   69    H    CYS 116           HN       CYS 116  -3.664  -6.948  -1.228
   70    HA   CYS 116           HA       CYS 116  -3.917  -6.417  -4.094
   71    HB2  CYS 116           HB2      CYS 116  -2.097  -7.897  -3.390
   72    HB3  CYS 116           HB1      CYS 116  -3.250  -8.965  -2.600
   73    H    LEU 117           HN       LEU 117  -5.859  -7.195  -1.470
   74    HA   LEU 117           HA       LEU 117  -7.789  -8.672  -3.107
   75    HB2  LEU 117           HB2      LEU 117  -7.608  -8.272  -0.140
   76    HB3  LEU 117           HB1      LEU 117  -8.942  -9.086  -0.927
   77    HG   LEU 117           HG       LEU 117  -6.071 -10.007  -1.066
   78   HD11  LEU 117          HD11      LEU 117  -6.901 -10.167   1.212
   79   HD12  LEU 117          HD12      LEU 117  -6.764 -11.769   0.488
   80   HD13  LEU 117          HD13      LEU 117  -8.346 -11.003   0.643
   81   HD21  LEU 117          HD21      LEU 117  -8.648 -11.355  -1.869
   82   HD22  LEU 117          HD22      LEU 117  -7.036 -12.068  -1.946
   83   HD23  LEU 117          HD23      LEU 117  -7.441 -10.691  -2.972
   84    H    SER 118           HN       SER 118  -8.278  -6.434  -0.393
   85    HA   SER 118           HA       SER 118 -10.471  -5.215  -1.886
   86    HB2  SER 118           HB2      SER 118 -10.895  -5.993   0.423
   87    HB3  SER 118           HB1      SER 118  -9.683  -4.856   1.015
   88    HG   SER 118           HG       SER 118 -11.591  -3.807   1.213
   89    H    GLY 119           HN       GLY 119  -7.570  -4.659  -2.405
   90    HA2  GLY 119           HA2      GLY 119  -6.445  -2.792  -3.171
   91    HA3  GLY 119           HA1      GLY 119  -7.848  -1.832  -2.742
   92    H    CYS 120           HN       CYS 120  -5.640  -0.578  -2.314
   93    HA   CYS 120           HA       CYS 120  -5.499  -0.345   0.558
   94    HB2  CYS 120           HB2      CYS 120  -3.382  -1.649  -0.964
   95    HB3  CYS 120           HB1      CYS 120  -2.795  -0.242  -0.084
   96    H    THR 121           HN       THR 121  -5.819   1.755   0.840
   97    HA   THR 121           HA       THR 121  -5.402   3.666  -1.213
   98    HB   THR 121           HB       THR 121  -6.225   5.298   0.267
   99    HG1  THR 121           HG1      THR 121  -4.926   3.775   2.153
  100   HG21  THR 121          HG21      THR 121  -7.792   3.358  -0.289
  101   HG22  THR 121          HG22      THR 121  -8.235   4.363   1.093
  102   HG23  THR 121          HG23      THR 121  -7.487   2.789   1.354
  103    H    GLN 122           HN       GLN 122  -4.075   5.600  -1.014
  104    HA   GLN 122           HA       GLN 122  -1.359   5.014  -0.737
  105    HB2  GLN 122           HB2      GLN 122  -2.180   6.840  -2.124
  106    HB3  GLN 122           HB1      GLN 122  -2.784   7.683  -0.711
  107    HG2  GLN 122           HG2      GLN 122   0.043   7.059  -0.521
  108    HG3  GLN 122           HG1      GLN 122  -0.349   8.071  -1.908
  109   HE21  GLN 122          HE21      GLN 122   0.710   9.841  -1.017
  110   HE22  GLN 122          HE22      GLN 122   0.049  10.739   0.303
  111    H    GLN 123           HN       GLN 123  -3.659   6.354   1.526
  112    HA   GLN 123           HA       GLN 123  -1.773   7.171   3.487
  113    HB2  GLN 123           HB2      GLN 123  -4.717   6.538   3.631
  114    HB3  GLN 123           HB1      GLN 123  -3.796   7.081   5.026
  115    HG2  GLN 123           HG2      GLN 123  -3.889   8.647   2.472
  116    HG3  GLN 123           HG1      GLN 123  -5.105   8.829   3.736
  117   HE21  GLN 123          HE21      GLN 123  -1.765   9.300   2.877
  118   HE22  GLN 123          HE22      GLN 123  -1.374  10.374   4.172
  119    H    ASP 124           HN       ASP 124  -3.425   4.163   2.818
  120    HA   ASP 124           HA       ASP 124  -2.675   2.915   5.299
  121    HB2  ASP 124           HB2      ASP 124  -3.883   1.847   2.744
  122    HB3  ASP 124           HB1      ASP 124  -3.489   0.815   4.115
  123    H    LEU 125           HN       LEU 125  -1.303   3.391   2.203
  124    HA   LEU 125           HA       LEU 125   0.648   1.288   2.364
  125    HB2  LEU 125           HB2      LEU 125   0.350   1.666   0.173
  126    HB3  LEU 125           HB1      LEU 125  -0.587   3.082   0.504
  127    HG   LEU 125           HG       LEU 125   1.462   4.403   0.556
  128   HD11  LEU 125          HD11      LEU 125   3.443   3.168  -0.571
  129   HD12  LEU 125          HD12      LEU 125   2.630   1.721   0.027
  130   HD13  LEU 125          HD13      LEU 125   3.181   2.952   1.161
  131   HD21  LEU 125          HD21      LEU 125   0.133   4.171  -1.476
  132   HD22  LEU 125          HD22      LEU 125   1.074   2.750  -1.888
  133   HD23  LEU 125          HD23      LEU 125   1.850   4.312  -1.848
  134    H    LEU 126           HN       LEU 126   0.439   4.764   2.566
  135    HA   LEU 126           HA       LEU 126   2.949   5.593   3.029
  136    HB2  LEU 126           HB2      LEU 126   0.562   6.738   3.134
  137    HB3  LEU 126           HB1      LEU 126   0.816   6.565   4.859
  138    HG   LEU 126           HG       LEU 126   2.774   7.901   3.044
  139   HD11  LEU 126          HD11      LEU 126   0.574   9.148   4.685
  140   HD12  LEU 126          HD12      LEU 126   0.681   9.124   2.925
  141   HD13  LEU 126          HD13      LEU 126   1.861  10.035   3.868
  142   HD21  LEU 126          HD21      LEU 126   3.330   8.978   5.343
  143   HD22  LEU 126          HD22      LEU 126   3.896   7.344   4.996
  144   HD23  LEU 126          HD23      LEU 126   2.466   7.584   6.006
  145    H    THR 127           HN       THR 127   0.700   4.430   5.513
  146    HA   THR 127           HA       THR 127   2.773   4.435   7.507
  147    HB   THR 127           HB       THR 127   0.553   5.075   8.163
  148    HG1  THR 127           HG1      THR 127   0.312   3.493   9.915
  149   HG21  THR 127          HG21      THR 127  -0.661   3.703   6.524
  150   HG22  THR 127          HG22      THR 127  -1.297   3.496   8.155
  151   HG23  THR 127          HG23      THR 127  -0.258   2.259   7.448
  152    H    LEU 128           HN       LEU 128   1.853   2.234   5.124
  153    HA   LEU 128           HA       LEU 128   2.550  -0.088   6.717
  154    HB2  LEU 128           HB2      LEU 128   1.374   0.304   4.041
  155    HB3  LEU 128           HB1      LEU 128   2.385  -1.104   4.239
  156    HG   LEU 128           HG       LEU 128   0.090  -0.469   6.071
  157   HD11  LEU 128          HD11      LEU 128   0.163  -2.322   3.682
  158   HD12  LEU 128          HD12      LEU 128  -0.785  -0.838   3.816
  159   HD13  LEU 128          HD13      LEU 128  -1.146  -2.212   4.858
  160   HD21  LEU 128          HD21      LEU 128   1.830  -1.872   6.995
  161   HD22  LEU 128          HD22      LEU 128   1.760  -2.900   5.564
  162   HD23  LEU 128          HD23      LEU 128   0.384  -2.834   6.669
  163    H    CYS 129           HN       CYS 129   4.334   2.228   5.285
  164    HA   CYS 129           HA       CYS 129   6.443   0.406   4.424
  165    HB2  CYS 129           HB2      CYS 129   6.434   2.085   2.887
  166    HB3  CYS 129           HB1      CYS 129   5.921   3.299   4.058
  167    HA   PRO 130           HA       PRO 130   8.455   3.244   8.070
  168    HB2  PRO 130           HB2      PRO 130   6.073   2.725   9.802
  169    HB3  PRO 130           HB1      PRO 130   7.207   4.082   9.825
  170    HG2  PRO 130           HG2      PRO 130   4.815   4.361   8.712
  171    HG3  PRO 130           HG1      PRO 130   6.249   5.084   7.959
  172    HD2  PRO 130           HD2      PRO 130   4.695   2.681   7.149
  173    HD3  PRO 130           HD1      PRO 130   5.567   3.851   6.144
  174    H    TYR 131           HN       TYR 131   6.686   0.244   8.046
  175    HA   TYR 131           HA       TYR 131   7.559  -0.983  10.367
  176    HB2  TYR 131           HB2      TYR 131   7.191  -3.106   9.271
  177    HB3  TYR 131           HB1      TYR 131   5.949  -1.976   8.742
  178    HD1  TYR 131           HD2      TYR 131   6.266  -0.833   6.498
  179    HD2  TYR 131           HD1      TYR 131   8.535  -4.217   7.704
  180    HE1  TYR 131           HE2      TYR 131   6.848  -1.251   4.144
  181    HE2  TYR 131           HE1      TYR 131   9.126  -4.666   5.359
  182    HH   TYR 131           HH       TYR 131   8.216  -4.177   3.107
  183    H    GLY 132           HN       GLY 132   9.325  -0.335   7.418
  184    HA2  GLY 132           HA2      GLY 132  11.825  -0.827   8.746
  185    HA3  GLY 132           HA1      GLY 132  11.455  -2.045   7.536
  186    H2   PRO  25           HT1      PRO  25  -9.922  16.284   0.175
  187    H3   PRO  25           HT2      PRO  25  -9.291  17.788   0.092
  188    HA   PRO  25           HA       PRO  25  -7.914  17.490   1.679
  189    HB2  PRO  25           HB2      PRO  25  -9.058  15.752   3.583
  190    HB3  PRO  25           HB1      PRO  25  -8.881  17.508   3.709
  191    HG2  PRO  25           HG2      PRO  25 -11.218  15.899   2.821
  192    HG3  PRO  25           HG1      PRO  25 -11.178  17.444   3.690
  193    HD2  PRO  25           HD2      PRO  25 -11.827  17.365   1.107
  194    HD3  PRO  25           HD1      PRO  25 -10.808  18.673   1.737
  195    H    THR  26           HN       THR  26  -7.632  16.065  -0.473
  196    HA   THR  26           HA       THR  26  -6.771  14.204  -1.435
  197    HB   THR  26           HB       THR  26  -5.211  12.864  -0.141
  198    HG1  THR  26           HG1      THR  26  -5.656  14.269   2.219
  199   HG21  THR  26          HG21      THR  26  -5.081  15.785   0.616
  200   HG22  THR  26          HG22      THR  26  -4.493  15.081  -0.891
  201   HG23  THR  26          HG23      THR  26  -3.731  14.649   0.640
  202    HA   PRO  27           HA       PRO  27 -10.123  11.308  -0.581
  203    HB2  PRO  27           HB2      PRO  27  -9.822  10.293  -3.246
  204    HB3  PRO  27           HB1      PRO  27 -11.097  11.330  -2.612
  205    HG2  PRO  27           HG2      PRO  27  -9.206  12.099  -4.475
  206    HG3  PRO  27           HG1      PRO  27 -10.164  13.200  -3.472
  207    HD2  PRO  27           HD2      PRO  27  -7.341  12.314  -3.153
  208    HD3  PRO  27           HD1      PRO  27  -8.097  13.869  -2.757
  209    H    GLU  28           HN       GLU  28 -10.366   8.942  -0.763
  210    HA   GLU  28           HA       GLU  28  -7.745   7.609  -0.601
  211    HB2  GLU  28           HB2      GLU  28  -9.003   5.928   0.835
  212    HB3  GLU  28           HB1      GLU  28  -8.724   7.512   1.541
  213    HG2  GLU  28           HG2      GLU  28 -11.030   8.150   0.875
  214    HG3  GLU  28           HG1      GLU  28 -11.285   6.492   0.337
  215    H    MET  29           HN       MET  29  -7.352   6.513  -2.403
  216    HA   MET  29           HA       MET  29  -9.554   4.991  -3.633
  217    HB2  MET  29           HB2      MET  29  -8.666   6.732  -5.106
  218    HB3  MET  29           HB1      MET  29  -7.042   6.089  -4.911
  219    HG2  MET  29           HG2      MET  29  -7.679   4.047  -6.035
  220    HG3  MET  29           HG1      MET  29  -9.346   4.606  -6.156
  221    HE1  MET  29           HE1      MET  29  -5.633   5.235  -7.299
  222    HE2  MET  29           HE2      MET  29  -6.109   6.793  -6.622
  223    HE3  MET  29           HE3      MET  29  -5.827   6.634  -8.356
  224    H    ARG  30           HN       ARG  30  -9.347   3.070  -2.559
  225    HA   ARG  30           HA       ARG  30  -7.019   1.779  -1.787
  226    HB2  ARG  30           HB2      ARG  30  -9.760   0.805  -2.480
  227    HB3  ARG  30           HB1      ARG  30  -8.500  -0.344  -2.121
  228    HG2  ARG  30           HG2      ARG  30  -9.421  -0.125  -0.067
  229    HG3  ARG  30           HG1      ARG  30  -8.206   1.153   0.012
  230    HD2  ARG  30           HD2      ARG  30  -9.982   2.702  -0.860
  231    HD3  ARG  30           HD1      ARG  30 -11.143   1.414  -0.563
  232    HE   ARG  30           HE       ARG  30  -9.469   2.291   1.667
  233   HH11  ARG  30          HH11      ARG  30 -12.586   2.242   0.106
  234   HH12  ARG  30          HH12      ARG  30 -13.449   2.721   1.529
  235   HH21  ARG  30          HH21      ARG  30 -10.601   2.916   3.547
  236   HH22  ARG  30          HH22      ARG  30 -12.322   3.103   3.483
  237    H    GLU  31           HN       GLU  31  -5.351   1.614  -3.220
  238    HA   GLU  31           HA       GLU  31  -5.819   0.650  -5.914
  239    HB2  GLU  31           HB2      GLU  31  -3.065   0.901  -4.800
  240    HB3  GLU  31           HB1      GLU  31  -3.663   1.281  -6.408
  241    HG2  GLU  31           HG2      GLU  31  -4.698   3.299  -5.602
  242    HG3  GLU  31           HG1      GLU  31  -4.239   2.904  -3.947
  243    H    LYS  32           HN       LYS  32  -5.580  -1.409  -6.581
  244    HA   LYS  32           HA       LYS  32  -5.256  -3.486  -4.687
  245    HB2  LYS  32           HB2      LYS  32  -5.397  -3.390  -7.663
  246    HB3  LYS  32           HB1      LYS  32  -5.190  -4.892  -6.797
  247    HG2  LYS  32           HG2      LYS  32  -7.310  -3.840  -5.487
  248    HG3  LYS  32           HG1      LYS  32  -7.573  -3.227  -7.120
  249    HD2  LYS  32           HD2      LYS  32  -7.278  -5.556  -7.955
  250    HD3  LYS  32           HD1      LYS  32  -7.233  -6.100  -6.280
  251    HE2  LYS  32           HE2      LYS  32  -9.472  -5.228  -5.913
  252    HE3  LYS  32           HE1      LYS  32  -9.521  -4.612  -7.565
  253    HZ1  LYS  32           HZ1      LYS  32 -10.703  -6.711  -7.358
  254    HZ2  LYS  32           HZ2      LYS  32  -9.301  -7.473  -6.796
  255    HZ3  LYS  32           HZ3      LYS  32  -9.363  -6.880  -8.379
  256    H    LEU  33           HN       LEU  33  -3.216  -2.728  -3.874
  257    HA   LEU  33           HA       LEU  33  -0.838  -2.956  -5.474
  258    HB2  LEU  33           HB2      LEU  33  -1.010  -2.654  -2.480
  259    HB3  LEU  33           HB1      LEU  33   0.348  -2.285  -3.515
  260    HG   LEU  33           HG       LEU  33  -2.252  -0.783  -3.372
  261   HD11  LEU  33          HD11      LEU  33   0.565   0.059  -2.737
  262   HD12  LEU  33          HD12      LEU  33  -0.682  -0.328  -1.550
  263   HD13  LEU  33          HD13      LEU  33  -0.879   1.064  -2.616
  264   HD21  LEU  33          HD21      LEU  33  -1.589  -0.834  -5.663
  265   HD22  LEU  33          HD22      LEU  33   0.063  -0.441  -5.222
  266   HD23  LEU  33          HD23      LEU  33  -1.202   0.755  -4.999
  267    H    CYS  34           HN       CYS  34  -0.727  -5.065  -6.155
  268    HA   CYS  34           HA       CYS  34  -0.608  -7.177  -4.130
  269    HB2  CYS  34           HB2      CYS  34  -1.900  -7.207  -6.456
  270    HB3  CYS  34           HB1      CYS  34  -0.332  -7.749  -7.045
  271    H    GLY  35           HN       GLY  35   1.038  -8.896  -5.853
  272    HA2  GLY  35           HA2      GLY  35   3.546  -8.469  -4.775
  273    HA3  GLY  35           HA1      GLY  35   3.248  -9.399  -6.236
  274    H    HIS  36           HN       HIS  36   5.080  -7.028  -5.085
  275    HA   HIS  36           HA       HIS  36   6.496  -5.546  -6.066
  276    HB2  HIS  36           HB2      HIS  36   6.666  -7.011  -7.986
  277    HB3  HIS  36           HB1      HIS  36   5.157  -6.383  -8.632
  278    HD1  HIS  36           HD1      HIS  36   5.316  -4.329 -10.109
  279    HD2  HIS  36           HD2      HIS  36   8.820  -5.111  -8.018
  280    HE1  HIS  36           HE1      HIS  36   7.056  -2.736 -11.019
  281    H    HIS  37           HN       HIS  37   3.090  -5.348  -6.964
  282    HA   HIS  37           HA       HIS  37   3.094  -2.632  -7.742
  283    HB2  HIS  37           HB2      HIS  37   0.780  -4.106  -6.478
  284    HB3  HIS  37           HB1      HIS  37   0.704  -2.709  -7.543
  285    HD1  HIS  37           HD1      HIS  37   0.804  -6.398  -7.593
  286    HD2  HIS  37           HD2      HIS  37   1.352  -3.262 -10.261
  287    HE1  HIS  37           HE1      HIS  37   0.686  -7.408  -9.909
  288    H    PHE  38           HN       PHE  38   2.528  -4.199  -4.596
  289    HA   PHE  38           HA       PHE  38   1.956  -1.752  -3.276
  290    HB2  PHE  38           HB2      PHE  38   1.344  -4.068  -2.419
  291    HB3  PHE  38           HB1      PHE  38   3.025  -4.237  -1.931
  292    HD1  PHE  38           HD1      PHE  38   2.072  -0.858  -1.601
  293    HD2  PHE  38           HD2      PHE  38   1.678  -4.638   0.319
  294    HE1  PHE  38           HE1      PHE  38   1.603   0.260   0.519
  295    HE2  PHE  38           HE2      PHE  38   1.210  -3.511   2.434
  296    HZ   PHE  38           HZ       PHE  38   1.167  -1.056   2.531
  297    H    VAL  39           HN       VAL  39   4.890  -3.731  -3.546
  298    HA   VAL  39           HA       VAL  39   6.589  -2.138  -1.995
  299    HB   VAL  39           HB       VAL  39   7.138  -3.884  -4.405
  300   HG11  VAL  39          HG11      VAL  39   9.167  -2.599  -2.586
  301   HG12  VAL  39          HG12      VAL  39   8.891  -2.195  -4.279
  302   HG13  VAL  39          HG13      VAL  39   9.506  -3.788  -3.842
  303   HG21  VAL  39          HG21      VAL  39   8.084  -5.403  -2.698
  304   HG22  VAL  39          HG22      VAL  39   6.364  -5.090  -2.471
  305   HG23  VAL  39          HG23      VAL  39   7.550  -4.282  -1.446
  306    H    ARG  40           HN       ARG  40   5.479  -1.801  -5.303
  307    HA   ARG  40           HA       ARG  40   7.274   0.293  -6.035
  308    HB2  ARG  40           HB2      ARG  40   5.322  -1.289  -7.302
  309    HB3  ARG  40           HB1      ARG  40   4.767   0.366  -7.475
  310    HG2  ARG  40           HG2      ARG  40   7.111   0.893  -8.311
  311    HG3  ARG  40           HG1      ARG  40   7.330  -0.853  -8.440
  312    HD2  ARG  40           HD2      ARG  40   6.638  -0.068 -10.577
  313    HD3  ARG  40           HD1      ARG  40   5.268  -0.915  -9.859
  314    HE   ARG  40           HE       ARG  40   4.938   1.729  -9.184
  315   HH11  ARG  40          HH11      ARG  40   5.205  -0.104 -12.133
  316   HH12  ARG  40          HH12      ARG  40   4.228   0.990 -13.055
  317   HH21  ARG  40          HH21      ARG  40   3.652   3.179 -10.389
  318   HH22  ARG  40          HH22      ARG  40   3.348   2.858 -12.064
  319    H    ALA  41           HN       ALA  41   3.798   0.260  -5.263
  320    HA   ALA  41           HA       ALA  41   3.405   3.014  -5.144
  321    HB1  ALA  41           HB1      ALA  41   1.338   2.551  -4.219
  322    HB2  ALA  41           HB2      ALA  41   1.947   1.193  -3.271
  323    HB3  ALA  41           HB3      ALA  41   1.715   1.022  -5.014
  324    H    LEU  42           HN       LEU  42   5.011   0.851  -3.069
  325    HA   LEU  42           HA       LEU  42   4.901   2.442  -0.697
  326    HB2  LEU  42           HB2      LEU  42   6.249  -0.064  -1.558
  327    HB3  LEU  42           HB1      LEU  42   6.824   0.735  -0.126
  328    HG   LEU  42           HG       LEU  42   3.933   0.053  -0.446
  329   HD11  LEU  42          HD11      LEU  42   4.345  -2.113  -0.303
  330   HD12  LEU  42          HD12      LEU  42   5.179  -1.813   1.215
  331   HD13  LEU  42          HD13      LEU  42   6.083  -1.806  -0.294
  332   HD21  LEU  42          HD21      LEU  42   4.163  -0.084   2.060
  333   HD22  LEU  42          HD22      LEU  42   4.341   1.504   1.336
  334   HD23  LEU  42          HD23      LEU  42   5.767   0.623   1.858
  335    H    VAL  43           HN       VAL  43   7.310   1.738  -3.198
  336    HA   VAL  43           HA       VAL  43   9.351   3.387  -2.158
  337    HB   VAL  43           HB       VAL  43   9.271   1.535  -4.110
  338   HG11  VAL  43          HG11      VAL  43   9.373   4.162  -5.572
  339   HG12  VAL  43          HG12      VAL  43   8.065   2.986  -5.653
  340   HG13  VAL  43          HG13      VAL  43   9.661   2.569  -6.271
  341   HG21  VAL  43          HG21      VAL  43  11.533   2.290  -4.743
  342   HG22  VAL  43          HG22      VAL  43  11.263   2.226  -3.003
  343   HG23  VAL  43          HG23      VAL  43  11.253   3.778  -3.835
  344    H    ARG  44           HN       ARG  44   6.404   4.050  -3.607
  345    HA   ARG  44           HA       ARG  44   7.104   6.533  -4.880
  346    HB2  ARG  44           HB2      ARG  44   5.352   5.224  -5.842
  347    HB3  ARG  44           HB1      ARG  44   4.494   5.188  -4.314
  348    HG2  ARG  44           HG2      ARG  44   4.246   7.669  -4.492
  349    HG3  ARG  44           HG1      ARG  44   4.891   7.542  -6.129
  350    HD2  ARG  44           HD2      ARG  44   3.068   6.123  -6.795
  351    HD3  ARG  44           HD1      ARG  44   2.472   6.042  -5.138
  352    HE   ARG  44           HE       ARG  44   2.599   8.710  -6.208
  353   HH11  ARG  44          HH11      ARG  44   0.673   5.822  -5.905
  354   HH12  ARG  44          HH12      ARG  44  -0.833   6.648  -6.129
  355   HH21  ARG  44          HH21      ARG  44   0.619   9.807  -6.503
  356   HH22  ARG  44          HH22      ARG  44  -0.864   8.912  -6.467
  357    H    VAL  45           HN       VAL  45   4.802   5.782  -2.263
  358    HA   VAL  45           HA       VAL  45   4.783   8.524  -1.404
  359    HB   VAL  45           HB       VAL  45   2.977   8.026  -0.126
  360   HG11  VAL  45          HG11      VAL  45   2.423   7.152  -2.313
  361   HG12  VAL  45          HG12      VAL  45   1.652   6.177  -1.051
  362   HG13  VAL  45          HG13      VAL  45   3.094   5.575  -1.872
  363   HG21  VAL  45          HG21      VAL  45   4.260   5.380   0.509
  364   HG22  VAL  45          HG22      VAL  45   2.635   5.824   1.030
  365   HG23  VAL  45          HG23      VAL  45   4.025   6.758   1.585
  366    H    CYS  46           HN       CYS  46   6.168   5.504  -0.209
  367    HA   CYS  46           HA       CYS  46   7.649   7.088   1.783
  368    HB2  CYS  46           HB2      CYS  46   6.014   5.520   2.823
  369    HB3  CYS  46           HB1      CYS  46   6.831   4.185   2.032
  370    H    GLY  47           HN       GLY  47   9.036   7.262  -0.286
  371    HA2  GLY  47           HA2      GLY  47  10.497   5.160  -1.340
  372    HA3  GLY  47           HA1      GLY  47  11.096   6.807  -1.206
  373    H    GLY  48           HN       GLY  48  11.190   3.612   0.087
  374    HA2  GLY  48           HA2      GLY  48  12.877   4.430   2.338
  375    HA3  GLY  48           HA1      GLY  48  12.206   2.829   2.076
  376    HA   PRO  49           HA       PRO  49  16.653   2.900   0.646
  377    HB2  PRO  49           HB2      PRO  49  17.434   1.295   2.901
  378    HB3  PRO  49           HB1      PRO  49  17.920   2.946   2.516
  379    HG2  PRO  49           HG2      PRO  49  16.357   2.269   4.669
  380    HG3  PRO  49           HG1      PRO  49  16.341   3.862   3.891
  381    HD2  PRO  49           HD2      PRO  49  14.457   1.560   3.529
  382    HD3  PRO  49           HD1      PRO  49  14.089   3.292   3.677
  383    H    LYS  50           HN       LYS  50  14.507   0.410   1.851
  384    HA   LYS  50           HA       LYS  50  15.984  -1.810   0.922
  385    HB2  LYS  50           HB2      LYS  50  13.380  -2.664   0.813
  386    HB3  LYS  50           HB1      LYS  50  14.468  -2.810   2.182
  387    HG2  LYS  50           HG2      LYS  50  12.793  -0.370   1.784
  388    HG3  LYS  50           HG1      LYS  50  12.170  -1.824   2.552
  389    HD2  LYS  50           HD2      LYS  50  13.936  -1.738   4.215
  390    HD3  LYS  50           HD1      LYS  50  14.606  -0.303   3.431
  391    HE2  LYS  50           HE2      LYS  50  13.321   0.886   4.830
  392    HE3  LYS  50           HE1      LYS  50  11.954   0.356   3.850
  393    HZ1  LYS  50           HZ       LYS  50  12.153  -1.670   5.553
  394    H    TRP  51           HN       TRP  51  12.800  -1.024  -0.313
  395    HA   TRP  51           HA       TRP  51  13.101  -2.147  -2.822
  396    HB2  TRP  51           HB2      TRP  51  11.258  -0.223  -3.325
  397    HB3  TRP  51           HB1      TRP  51  10.897  -1.727  -2.489
  398    HD1  TRP  51           HD1      TRP  51  12.238   1.745  -1.337
  399    HE1  TRP  51           HE1      TRP  51  10.971   2.394   0.804
  400    HE3  TRP  51           HE3      TRP  51   9.231  -2.354  -0.889
  401    HZ2  TRP  51           HZ2      TRP  51   8.981   1.323   2.465
  402    HZ3  TRP  51           HZ3      TRP  51   7.667  -2.467   1.005
  403    HH2  TRP  51           HH2      TRP  51   7.533  -0.664   2.651
  Start of MODEL   10
    1    H1   ALA 106           HT1      ALA 106 -11.873  -4.915  13.145
    2    H2   ALA 106           HT2      ALA 106 -12.629  -5.872  14.318
    3    H3   ALA 106           HT3      ALA 106 -11.034  -6.199  13.860
    4    HA   ALA 106           HA       ALA 106 -11.967  -3.750  15.238
    5    HB1  ALA 106           HB1      ALA 106 -10.329  -6.051  16.293
    6    HB2  ALA 106           HB2      ALA 106 -12.022  -5.736  16.673
    7    HB3  ALA 106           HB3      ALA 106 -10.778  -4.595  17.182
    8    H    ALA 107           HN       ALA 107  -9.436  -5.486  13.588
    9    HA   ALA 107           HA       ALA 107  -7.835  -3.032  13.550
   10    HB1  ALA 107           HB1      ALA 107  -5.778  -4.264  13.973
   11    HB2  ALA 107           HB2      ALA 107  -6.696  -5.757  14.165
   12    HB3  ALA 107           HB3      ALA 107  -6.900  -4.440  15.321
   13    H    ALA 108           HN       ALA 108  -5.777  -3.645  12.036
   14    HA   ALA 108           HA       ALA 108  -6.999  -4.378   9.492
   15    HB1  ALA 108           HB1      ALA 108  -5.763  -2.279   9.617
   16    HB2  ALA 108           HB2      ALA 108  -5.006  -3.395   8.479
   17    HB3  ALA 108           HB3      ALA 108  -4.305  -3.157  10.081
   18    H    THR 109           HN       THR 109  -6.537  -6.173   8.375
   19    HA   THR 109           HA       THR 109  -5.002  -8.255   9.620
   20    HB   THR 109           HB       THR 109  -5.727  -9.669   7.826
   21    HG1  THR 109           HG1      THR 109  -7.100  -7.869   6.320
   22   HG21  THR 109          HG21      THR 109  -7.452  -9.066   9.468
   23   HG22  THR 109          HG22      THR 109  -8.146  -9.362   7.875
   24   HG23  THR 109          HG23      THR 109  -7.937  -7.708   8.452
   25    H    ASN 110           HN       ASN 110  -3.831  -9.547   7.428
   26    HA   ASN 110           HA       ASN 110  -1.291  -8.570   7.340
   27    HB2  ASN 110           HB2      ASN 110  -2.859 -10.342   5.547
   28    HB3  ASN 110           HB1      ASN 110  -1.339  -9.717   4.915
   29   HD21  ASN 110          HD21      ASN 110   0.589 -10.349   5.842
   30   HD22  ASN 110          HD22      ASN 110   0.700 -11.687   6.931
   31    HA   PRO 111           HA       PRO 111  -1.339  -4.864   4.959
   32    HB2  PRO 111           HB2      PRO 111   1.362  -5.512   4.005
   33    HB3  PRO 111           HB1      PRO 111   0.815  -4.184   5.021
   34    HG2  PRO 111           HG2      PRO 111   2.276  -6.213   6.003
   35    HG3  PRO 111           HG1      PRO 111   1.026  -5.399   6.962
   36    HD2  PRO 111           HD2      PRO 111   0.902  -8.023   5.518
   37    HD3  PRO 111           HD1      PRO 111   0.274  -7.591   7.124
   38    H    ALA 112           HN       ALA 112   0.985  -6.464   2.924
   39    HA   ALA 112           HA       ALA 112  -0.070  -5.694   0.520
   40    HB1  ALA 112           HB1      ALA 112   1.476  -8.234   0.989
   41    HB2  ALA 112           HB2      ALA 112   2.185  -6.621   0.888
   42    HB3  ALA 112           HB3      ALA 112   1.365  -7.314  -0.514
   43    H    ARG 113           HN       ARG 113  -0.992  -8.491   2.437
   44    HA   ARG 113           HA       ARG 113  -2.417  -9.860   0.428
   45    HB2  ARG 113           HB2      ARG 113  -2.667  -9.849   3.432
   46    HB3  ARG 113           HB1      ARG 113  -3.591 -10.918   2.395
   47    HG2  ARG 113           HG2      ARG 113  -0.587 -10.822   2.444
   48    HG3  ARG 113           HG1      ARG 113  -1.558 -11.945   3.400
   49    HD2  ARG 113           HD2      ARG 113  -1.507 -11.730   0.392
   50    HD3  ARG 113           HD1      ARG 113  -0.788 -13.016   1.362
   51    HE   ARG 113           HE       ARG 113  -3.421 -13.015   2.077
   52   HH11  ARG 113          HH11      ARG 113  -1.703 -13.286  -0.943
   53   HH12  ARG 113          HH12      ARG 113  -2.906 -14.286  -1.686
   54   HH21  ARG 113          HH21      ARG 113  -5.010 -14.330   1.108
   55   HH22  ARG 113          HH22      ARG 113  -4.787 -14.878  -0.520
   56    H    TYR 114           HN       TYR 114  -3.421  -7.514   2.886
   57    HA   TYR 114           HA       TYR 114  -6.154  -7.472   2.030
   58    HB2  TYR 114           HB2      TYR 114  -5.963  -6.872   4.256
   59    HB3  TYR 114           HB1      TYR 114  -4.492  -5.945   3.994
   60    HD1  TYR 114           HD1      TYR 114  -8.135  -5.922   3.298
   61    HD2  TYR 114           HD2      TYR 114  -4.610  -3.621   3.915
   62    HE1  TYR 114           HE1      TYR 114  -9.481  -3.881   3.322
   63    HE2  TYR 114           HE2      TYR 114  -5.956  -1.566   3.937
   64    HH   TYR 114           HH       TYR 114  -9.322  -1.568   4.214
   65    H    CYS 115           HN       CYS 115  -3.259  -5.828   1.127
   66    HA   CYS 115           HA       CYS 115  -4.618  -3.631  -0.165
   67    HB2  CYS 115           HB2      CYS 115  -1.698  -4.442  -0.201
   68    HB3  CYS 115           HB1      CYS 115  -2.353  -2.946  -0.865
   69    H    CYS 116           HN       CYS 116  -3.654  -6.806  -0.990
   70    HA   CYS 116           HA       CYS 116  -3.642  -6.225  -3.854
   71    HB2  CYS 116           HB2      CYS 116  -1.895  -7.711  -2.924
   72    HB3  CYS 116           HB1      CYS 116  -3.144  -8.835  -2.404
   73    H    LEU 117           HN       LEU 117  -5.615  -7.684  -1.392
   74    HA   LEU 117           HA       LEU 117  -7.412  -8.920  -3.293
   75    HB2  LEU 117           HB2      LEU 117  -7.505  -8.664  -0.307
   76    HB3  LEU 117           HB1      LEU 117  -8.720  -9.504  -1.246
   77    HG   LEU 117           HG       LEU 117  -5.799 -10.265  -1.152
   78   HD11  LEU 117          HD11      LEU 117  -6.509 -12.136   0.234
   79   HD12  LEU 117          HD12      LEU 117  -8.162 -11.521   0.234
   80   HD13  LEU 117          HD13      LEU 117  -6.878 -10.597   1.014
   81   HD21  LEU 117          HD21      LEU 117  -8.197 -11.684  -2.306
   82   HD22  LEU 117          HD22      LEU 117  -6.554 -12.321  -2.236
   83   HD23  LEU 117          HD23      LEU 117  -6.909 -10.906  -3.226
   84    H    SER 118           HN       SER 118  -8.106  -6.743  -0.566
   85    HA   SER 118           HA       SER 118 -10.424  -5.724  -1.902
   86    HB2  SER 118           HB2      SER 118  -9.095  -5.133   0.737
   87    HB3  SER 118           HB1      SER 118 -10.485  -4.220   0.168
   88    HG   SER 118           HG       SER 118 -10.327  -6.827   1.087
   89    H    GLY 119           HN       GLY 119  -7.408  -4.233  -0.706
   90    HA2  GLY 119           HA2      GLY 119  -6.463  -2.816  -2.702
   91    HA3  GLY 119           HA1      GLY 119  -7.931  -1.906  -2.406
   92    H    CYS 120           HN       CYS 120  -5.609  -0.583  -2.236
   93    HA   CYS 120           HA       CYS 120  -5.597   0.266   0.516
   94    HB2  CYS 120           HB2      CYS 120  -3.314  -1.234  -0.670
   95    HB3  CYS 120           HB1      CYS 120  -2.938   0.148   0.351
   96    H    THR 121           HN       THR 121  -5.684   2.392   0.407
   97    HA   THR 121           HA       THR 121  -4.903   3.801  -1.976
   98    HB   THR 121           HB       THR 121  -5.951   5.676  -1.088
   99    HG1  THR 121           HG1      THR 121  -4.994   4.683   1.340
  100   HG21  THR 121          HG21      THR 121  -7.556   3.808  -1.309
  101   HG22  THR 121          HG22      THR 121  -8.018   4.941  -0.037
  102   HG23  THR 121          HG23      THR 121  -7.279   3.399   0.385
  103    H    GLN 122           HN       GLN 122  -3.675   5.986  -1.537
  104    HA   GLN 122           HA       GLN 122  -1.008   5.372  -0.960
  105    HB2  GLN 122           HB2      GLN 122  -1.921   7.336  -2.293
  106    HB3  GLN 122           HB1      GLN 122  -2.239   8.124  -0.756
  107    HG2  GLN 122           HG2      GLN 122   0.132   8.029  -0.205
  108    HG3  GLN 122           HG1      GLN 122   0.457   7.224  -1.738
  109   HE21  GLN 122          HE21      GLN 122   1.463   9.759  -0.704
  110   HE22  GLN 122          HE22      GLN 122   1.024  10.959  -1.866
  111    H    GLN 123           HN       GLN 123  -3.617   6.333   1.105
  112    HA   GLN 123           HA       GLN 123  -1.945   7.076   3.326
  113    HB2  GLN 123           HB2      GLN 123  -4.908   6.505   3.171
  114    HB3  GLN 123           HB1      GLN 123  -4.083   7.129   4.592
  115    HG2  GLN 123           HG2      GLN 123  -3.361   9.081   3.190
  116    HG3  GLN 123           HG1      GLN 123  -4.441   8.480   1.933
  117   HE21  GLN 123          HE21      GLN 123  -6.389   7.507   3.894
  118   HE22  GLN 123          HE22      GLN 123  -7.206   8.910   4.485
  119    H    ASP 124           HN       ASP 124  -3.592   4.197   2.218
  120    HA   ASP 124           HA       ASP 124  -3.168   2.740   4.674
  121    HB2  ASP 124           HB2      ASP 124  -4.016   1.786   1.925
  122    HB3  ASP 124           HB1      ASP 124  -3.995   0.789   3.376
  123    H    LEU 125           HN       LEU 125  -1.407   3.571   1.934
  124    HA   LEU 125           HA       LEU 125   0.469   1.384   2.048
  125    HB2  LEU 125           HB2      LEU 125   0.460   1.939  -0.112
  126    HB3  LEU 125           HB1      LEU 125  -0.545   3.310   0.212
  127    HG   LEU 125           HG       LEU 125   1.436   4.676   0.538
  128   HD11  LEU 125          HD11      LEU 125   3.580   3.522  -0.395
  129   HD12  LEU 125          HD12      LEU 125   2.733   2.053   0.083
  130   HD13  LEU 125          HD13      LEU 125   3.128   3.267   1.293
  131   HD21  LEU 125          HD21      LEU 125   0.409   4.560  -1.631
  132   HD22  LEU 125          HD22      LEU 125   1.285   3.076  -1.966
  133   HD23  LEU 125          HD23      LEU 125   2.160   4.583  -1.834
  134    H    LEU 126           HN       LEU 126   0.248   4.831   2.522
  135    HA   LEU 126           HA       LEU 126   2.659   5.628   3.351
  136    HB2  LEU 126           HB2      LEU 126   0.378   6.813   3.180
  137    HB3  LEU 126           HB1      LEU 126   0.162   6.337   4.851
  138    HG   LEU 126           HG       LEU 126   2.543   7.858   3.946
  139   HD11  LEU 126          HD11      LEU 126   1.350   9.906   4.726
  140   HD12  LEU 126          HD12      LEU 126  -0.128   8.949   4.809
  141   HD13  LEU 126          HD13      LEU 126   0.674   9.198   3.258
  142   HD21  LEU 126          HD21      LEU 126   1.284   7.126   6.546
  143   HD22  LEU 126          HD22      LEU 126   2.175   8.650   6.437
  144   HD23  LEU 126          HD23      LEU 126   2.988   7.126   6.079
  145    H    THR 127           HN       THR 127   0.133   4.493   5.552
  146    HA   THR 127           HA       THR 127   1.553   4.525   7.897
  147    HB   THR 127           HB       THR 127  -0.792   4.255   7.933
  148    HG1  THR 127           HG1      THR 127   0.843   2.387   9.148
  149   HG21  THR 127          HG21      THR 127  -0.960   2.975   5.833
  150   HG22  THR 127          HG22      THR 127  -1.923   2.268   7.133
  151   HG23  THR 127          HG23      THR 127  -0.378   1.544   6.682
  152    H    LEU 128           HN       LEU 128   1.631   1.993   5.425
  153    HA   LEU 128           HA       LEU 128   2.983   0.164   7.161
  154    HB2  LEU 128           HB2      LEU 128   2.203   0.108   4.291
  155    HB3  LEU 128           HB1      LEU 128   3.580  -0.868   4.769
  156    HG   LEU 128           HG       LEU 128   1.262  -1.120   6.531
  157   HD11  LEU 128          HD11      LEU 128   0.612  -0.912   3.911
  158   HD12  LEU 128          HD12      LEU 128  -0.279  -1.865   5.087
  159   HD13  LEU 128          HD13      LEU 128   0.918  -2.643   4.052
  160   HD21  LEU 128          HD21      LEU 128   3.412  -2.453   6.508
  161   HD22  LEU 128          HD22      LEU 128   2.796  -3.199   5.036
  162   HD23  LEU 128          HD23      LEU 128   1.911  -3.379   6.547
  163    H    CYS 129           HN       CYS 129   4.010   2.565   4.825
  164    HA   CYS 129           HA       CYS 129   6.413   2.367   4.068
  165    HB2  CYS 129           HB2      CYS 129   5.712   4.568   4.159
  166    HB3  CYS 129           HB1      CYS 129   5.437   4.517   5.897
  167    HA   PRO 130           HA       PRO 130   8.964   2.110   8.072
  168    HB2  PRO 130           HB2      PRO 130   7.799   2.167  10.497
  169    HB3  PRO 130           HB1      PRO 130   8.188   3.642   9.606
  170    HG2  PRO 130           HG2      PRO 130   5.565   2.247   9.909
  171    HG3  PRO 130           HG1      PRO 130   5.920   3.982   9.931
  172    HD2  PRO 130           HD2      PRO 130   4.928   2.642   7.750
  173    HD3  PRO 130           HD1      PRO 130   5.866   4.140   7.647
  174    H    TYR 131           HN       TYR 131   9.035  -0.039   7.163
  175    HA   TYR 131           HA       TYR 131   8.648  -2.059   9.121
  176    HB2  TYR 131           HB2      TYR 131   6.900  -3.310   8.298
  177    HB3  TYR 131           HB1      TYR 131   6.329  -1.693   7.913
  178    HD1  TYR 131           HD2      TYR 131   6.283  -0.921   5.589
  179    HD2  TYR 131           HD1      TYR 131   7.569  -4.855   6.562
  180    HE1  TYR 131           HE2      TYR 131   6.058  -1.565   3.234
  181    HE2  TYR 131           HE1      TYR 131   7.342  -5.518   4.205
  182    HH   TYR 131           HH       TYR 131   6.112  -4.798   2.199
  183    H    GLY 132           HN       GLY 132   9.222  -1.280   5.735
  184    HA2  GLY 132           HA2      GLY 132  11.103  -3.539   5.568
  185    HA3  GLY 132           HA1      GLY 132  10.353  -2.748   4.191
  186    H2   PRO  25           HT1      PRO  25 -19.759  11.332   0.974
  187    H3   PRO  25           HT2      PRO  25 -19.432  12.161   2.342
  188    HA   PRO  25           HA       PRO  25 -17.547  11.241   2.367
  189    HB2  PRO  25           HB2      PRO  25 -18.264   8.472   2.770
  190    HB3  PRO  25           HB1      PRO  25 -17.612   9.634   3.935
  191    HG2  PRO  25           HG2      PRO  25 -20.173   8.694   4.025
  192    HG3  PRO  25           HG1      PRO  25 -19.683  10.279   4.649
  193    HD2  PRO  25           HD2      PRO  25 -20.987   9.592   2.030
  194    HD3  PRO  25           HD1      PRO  25 -21.351  10.920   3.147
  195    H    THR  26           HN       THR  26 -16.598  11.330   0.405
  196    HA   THR  26           HA       THR  26 -17.373   9.628  -1.768
  197    HB   THR  26           HB       THR  26 -15.505  10.647  -2.990
  198    HG1  THR  26           HG1      THR  26 -14.357  10.893  -0.730
  199   HG21  THR  26          HG21      THR  26 -16.257  12.982  -2.902
  200   HG22  THR  26          HG22      THR  26 -17.099  12.650  -1.388
  201   HG23  THR  26          HG23      THR  26 -17.620  11.863  -2.878
  202    HA   PRO  27           HA       PRO  27 -14.789   6.186  -0.609
  203    HB2  PRO  27           HB2      PRO  27 -14.993   5.239  -3.360
  204    HB3  PRO  27           HB1      PRO  27 -15.661   4.543  -1.887
  205    HG2  PRO  27           HG2      PRO  27 -17.184   5.693  -3.819
  206    HG3  PRO  27           HG1      PRO  27 -17.647   5.627  -2.110
  207    HD2  PRO  27           HD2      PRO  27 -16.542   7.898  -3.691
  208    HD3  PRO  27           HD1      PRO  27 -17.736   7.897  -2.379
  209    H    GLU  28           HN       GLU  28 -12.659   5.618  -0.776
  210    HA   GLU  28           HA       GLU  28 -10.954   7.384  -2.278
  211    HB2  GLU  28           HB2      GLU  28 -10.302   5.064  -0.458
  212    HB3  GLU  28           HB1      GLU  28  -9.123   6.168  -1.146
  213    HG2  GLU  28           HG2      GLU  28 -10.283   8.033   0.019
  214    HG3  GLU  28           HG1      GLU  28 -11.301   6.832   0.815
  215    H    MET  29           HN       MET  29  -8.926   6.257  -3.281
  216    HA   MET  29           HA       MET  29  -9.957   4.359  -5.266
  217    HB2  MET  29           HB2      MET  29  -7.689   5.091  -6.398
  218    HB3  MET  29           HB1      MET  29  -9.127   6.097  -6.502
  219    HG2  MET  29           HG2      MET  29  -7.125   7.389  -5.996
  220    HG3  MET  29           HG1      MET  29  -8.323   7.500  -4.714
  221    HE1  MET  29           HE1      MET  29  -4.950   7.742  -2.753
  222    HE2  MET  29           HE2      MET  29  -6.532   8.474  -3.020
  223    HE3  MET  29           HE3      MET  29  -5.345   8.437  -4.326
  224    H    ARG  30           HN       ARG  30  -9.532   3.003  -3.102
  225    HA   ARG  30           HA       ARG  30  -7.066   2.111  -2.312
  226    HB2  ARG  30           HB2      ARG  30  -9.748   0.852  -2.478
  227    HB3  ARG  30           HB1      ARG  30  -8.390  -0.208  -2.198
  228    HG2  ARG  30           HG2      ARG  30  -8.916   0.226  -0.056
  229    HG3  ARG  30           HG1      ARG  30  -7.859   1.610  -0.345
  230    HD2  ARG  30           HD2      ARG  30  -9.958   2.822  -1.099
  231    HD3  ARG  30           HD1      ARG  30 -10.855   1.506  -0.353
  232    HE   ARG  30           HE       ARG  30  -8.907   2.981   1.264
  233   HH11  ARG  30          HH11      ARG  30 -12.214   2.163   0.535
  234   HH12  ARG  30          HH12      ARG  30 -12.835   2.797   2.024
  235   HH21  ARG  30          HH21      ARG  30  -9.715   3.814   3.228
  236   HH22  ARG  30          HH22      ARG  30 -11.413   3.736   3.553
  237    H    GLU  31           HN       GLU  31  -5.479   1.845  -3.861
  238    HA   GLU  31           HA       GLU  31  -5.932   0.382  -6.272
  239    HB2  GLU  31           HB2      GLU  31  -3.184   0.770  -5.139
  240    HB3  GLU  31           HB1      GLU  31  -3.714   0.798  -6.814
  241    HG2  GLU  31           HG2      GLU  31  -4.771   2.948  -6.484
  242    HG3  GLU  31           HG1      GLU  31  -4.329   2.921  -4.779
  243    H    LYS  32           HN       LYS  32  -5.681  -1.750  -6.672
  244    HA   LYS  32           HA       LYS  32  -5.448  -3.541  -4.469
  245    HB2  LYS  32           HB2      LYS  32  -5.756  -3.830  -7.410
  246    HB3  LYS  32           HB1      LYS  32  -5.473  -5.228  -6.398
  247    HG2  LYS  32           HG2      LYS  32  -7.470  -4.241  -5.012
  248    HG3  LYS  32           HG1      LYS  32  -7.848  -3.452  -6.546
  249    HD2  LYS  32           HD2      LYS  32  -7.614  -5.759  -7.591
  250    HD3  LYS  32           HD1      LYS  32  -7.669  -6.390  -5.947
  251    HE2  LYS  32           HE2      LYS  32  -9.840  -5.327  -5.604
  252    HE3  LYS  32           HE1      LYS  32  -9.787  -4.674  -7.240
  253    HZ1  LYS  32           HZ1      LYS  32 -11.138  -6.682  -7.100
  254    HZ2  LYS  32           HZ2      LYS  32  -9.804  -7.562  -6.550
  255    HZ3  LYS  32           HZ3      LYS  32  -9.803  -6.915  -8.113
  256    H    LEU  33           HN       LEU  33  -3.334  -2.483  -4.023
  257    HA   LEU  33           HA       LEU  33  -1.017  -3.102  -5.524
  258    HB2  LEU  33           HB2      LEU  33  -1.226  -2.329  -2.617
  259    HB3  LEU  33           HB1      LEU  33   0.175  -2.160  -3.652
  260    HG   LEU  33           HG       LEU  33  -2.419  -0.660  -3.991
  261   HD11  LEU  33          HD11      LEU  33   0.256   0.357  -3.059
  262   HD12  LEU  33          HD12      LEU  33  -1.129   0.047  -2.012
  263   HD13  LEU  33          HD13      LEU  33  -1.223   1.296  -3.253
  264   HD21  LEU  33          HD21      LEU  33  -1.036  -1.208  -6.056
  265   HD22  LEU  33          HD22      LEU  33   0.147  -0.102  -5.374
  266   HD23  LEU  33          HD23      LEU  33  -1.457   0.481  -5.773
  267    H    CYS  34           HN       CYS  34   0.038  -4.954  -5.636
  268    HA   CYS  34           HA       CYS  34  -0.416  -6.982  -3.551
  269    HB2  CYS  34           HB2      CYS  34  -0.904  -7.216  -6.213
  270    HB3  CYS  34           HB1      CYS  34   0.741  -7.836  -6.129
  271    H    GLY  35           HN       GLY  35   1.650  -8.729  -4.247
  272    HA2  GLY  35           HA2      GLY  35   3.751  -7.892  -2.684
  273    HA3  GLY  35           HA1      GLY  35   3.892  -9.124  -3.926
  274    H    HIS  36           HN       HIS  36   3.152  -7.018  -5.990
  275    HA   HIS  36           HA       HIS  36   5.834  -5.810  -6.153
  276    HB2  HIS  36           HB2      HIS  36   5.619  -7.268  -7.977
  277    HB3  HIS  36           HB1      HIS  36   3.944  -6.817  -8.253
  278    HD1  HIS  36           HD1      HIS  36   7.432  -5.360  -8.669
  279    HD2  HIS  36           HD2      HIS  36   3.561  -4.880 -10.100
  280    HE1  HIS  36           HE1      HIS  36   7.576  -3.694 -10.566
  281    H    HIS  37           HN       HIS  37   2.504  -5.143  -7.307
  282    HA   HIS  37           HA       HIS  37   2.873  -2.452  -7.864
  283    HB2  HIS  37           HB2      HIS  37   0.334  -3.704  -6.806
  284    HB3  HIS  37           HB1      HIS  37   0.459  -2.197  -7.700
  285    HD1  HIS  37           HD1      HIS  37  -0.494  -5.546  -8.266
  286    HD2  HIS  37           HD2      HIS  37   1.842  -2.815 -10.350
  287    HE1  HIS  37           HE1      HIS  37  -0.421  -6.358 -10.660
  288    H    PHE  38           HN       PHE  38   2.228  -4.018  -4.767
  289    HA   PHE  38           HA       PHE  38   1.761  -1.601  -3.358
  290    HB2  PHE  38           HB2      PHE  38   1.288  -4.058  -2.591
  291    HB3  PHE  38           HB1      PHE  38   2.950  -4.019  -2.028
  292    HD1  PHE  38           HD1      PHE  38   0.905  -0.994  -1.914
  293    HD2  PHE  38           HD2      PHE  38   2.252  -4.358   0.303
  294    HE1  PHE  38           HE1      PHE  38   0.129   0.056   0.149
  295    HE2  PHE  38           HE2      PHE  38   1.500  -3.302   2.366
  296    HZ   PHE  38           HZ       PHE  38   0.429  -1.086   2.290
  297    H    VAL  39           HN       VAL  39   4.600  -3.754  -3.237
  298    HA   VAL  39           HA       VAL  39   6.426  -2.185  -1.975
  299    HB   VAL  39           HB       VAL  39   6.700  -4.112  -4.266
  300   HG11  VAL  39          HG11      VAL  39   9.076  -2.846  -2.927
  301   HG12  VAL  39          HG12      VAL  39   8.475  -2.367  -4.513
  302   HG13  VAL  39          HG13      VAL  39   9.068  -4.007  -4.256
  303   HG21  VAL  39          HG21      VAL  39   7.852  -5.455  -2.560
  304   HG22  VAL  39          HG22      VAL  39   6.214  -5.014  -2.078
  305   HG23  VAL  39          HG23      VAL  39   7.596  -4.160  -1.390
  306    H    ARG  40           HN       ARG  40   5.236  -1.768  -5.243
  307    HA   ARG  40           HA       ARG  40   7.147   0.214  -6.026
  308    HB2  ARG  40           HB2      ARG  40   5.029  -1.220  -7.218
  309    HB3  ARG  40           HB1      ARG  40   4.602   0.473  -7.374
  310    HG2  ARG  40           HG2      ARG  40   6.899   0.846  -8.343
  311    HG3  ARG  40           HG1      ARG  40   7.052  -0.912  -8.414
  312    HD2  ARG  40           HD2      ARG  40   6.289  -0.129 -10.549
  313    HD3  ARG  40           HD1      ARG  40   4.966  -0.983  -9.754
  314    HE   ARG  40           HE       ARG  40   4.994   1.887  -9.382
  315   HH11  ARG  40          HH11      ARG  40   3.806  -0.804 -11.253
  316   HH12  ARG  40          HH12      ARG  40   2.444   0.065 -11.877
  317   HH21  ARG  40          HH21      ARG  40   3.203   3.038 -10.198
  318   HH22  ARG  40          HH22      ARG  40   2.103   2.250 -11.279
  319    H    ALA  41           HN       ALA  41   3.669   0.435  -5.255
  320    HA   ALA  41           HA       ALA  41   3.498   3.192  -5.012
  321    HB1  ALA  41           HB1      ALA  41   1.428   2.860  -4.002
  322    HB2  ALA  41           HB2      ALA  41   1.949   1.381  -3.191
  323    HB3  ALA  41           HB3      ALA  41   1.648   1.377  -4.932
  324    H    LEU  42           HN       LEU  42   4.983   0.849  -3.048
  325    HA   LEU  42           HA       LEU  42   5.005   2.294  -0.582
  326    HB2  LEU  42           HB2      LEU  42   6.782   0.030  -1.548
  327    HB3  LEU  42           HB1      LEU  42   6.727   0.616   0.085
  328    HG   LEU  42           HG       LEU  42   4.912  -1.229  -1.305
  329   HD11  LEU  42          HD11      LEU  42   4.765  -2.234   0.856
  330   HD12  LEU  42          HD12      LEU  42   5.528  -0.830   1.599
  331   HD13  LEU  42          HD13      LEU  42   6.454  -1.869   0.516
  332   HD21  LEU  42          HD21      LEU  42   3.323   0.496  -1.027
  333   HD22  LEU  42          HD22      LEU  42   3.931   0.852   0.588
  334   HD23  LEU  42          HD23      LEU  42   3.079  -0.657   0.286
  335    H    VAL  43           HN       VAL  43   7.377   1.654  -3.151
  336    HA   VAL  43           HA       VAL  43   9.463   3.205  -2.156
  337    HB   VAL  43           HB       VAL  43   9.318   1.497  -4.154
  338   HG11  VAL  43          HG11      VAL  43   8.760   4.132  -5.444
  339   HG12  VAL  43          HG12      VAL  43   8.019   2.560  -5.735
  340   HG13  VAL  43          HG13      VAL  43   9.656   2.880  -6.298
  341   HG21  VAL  43          HG21      VAL  43  11.477   2.191  -4.859
  342   HG22  VAL  43          HG22      VAL  43  11.320   2.508  -3.132
  343   HG23  VAL  43          HG23      VAL  43  11.195   3.836  -4.284
  344    H    ARG  44           HN       ARG  44   6.486   4.114  -3.518
  345    HA   ARG  44           HA       ARG  44   7.314   6.670  -4.521
  346    HB2  ARG  44           HB2      ARG  44   5.423   5.522  -5.506
  347    HB3  ARG  44           HB1      ARG  44   4.590   5.564  -3.964
  348    HG2  ARG  44           HG2      ARG  44   4.589   8.030  -4.065
  349    HG3  ARG  44           HG1      ARG  44   5.315   7.928  -5.669
  350    HD2  ARG  44           HD2      ARG  44   2.619   6.878  -4.826
  351    HD3  ARG  44           HD1      ARG  44   2.939   8.240  -5.897
  352    HE   ARG  44           HE       ARG  44   4.172   6.001  -6.998
  353   HH11  ARG  44          HH11      ARG  44   0.951   7.119  -6.275
  354   HH12  ARG  44          HH12      ARG  44   0.213   6.224  -7.562
  355   HH21  ARG  44          HH21      ARG  44   3.209   4.818  -8.692
  356   HH22  ARG  44          HH22      ARG  44   1.497   4.916  -8.935
  357    H    VAL  45           HN       VAL  45   5.161   5.742  -1.828
  358    HA   VAL  45           HA       VAL  45   5.413   8.410  -0.712
  359    HB   VAL  45           HB       VAL  45   3.494   8.033   0.413
  360   HG11  VAL  45          HG11      VAL  45   2.986   7.341  -1.863
  361   HG12  VAL  45          HG12      VAL  45   2.009   6.439  -0.691
  362   HG13  VAL  45          HG13      VAL  45   3.410   5.672  -1.454
  363   HG21  VAL  45          HG21      VAL  45   4.564   5.292   0.983
  364   HG22  VAL  45          HG22      VAL  45   2.875   5.698   1.301
  365   HG23  VAL  45          HG23      VAL  45   4.168   6.589   2.113
  366    H    CYS  46           HN       CYS  46   7.111   5.567  -0.473
  367    HA   CYS  46           HA       CYS  46   8.551   6.554   1.824
  368    HB2  CYS  46           HB2      CYS  46   6.736   5.174   2.818
  369    HB3  CYS  46           HB1      CYS  46   7.337   3.781   1.933
  370    H    GLY  47           HN       GLY  47   9.697   6.660  -0.426
  371    HA2  GLY  47           HA2      GLY  47  10.840   4.430  -1.624
  372    HA3  GLY  47           HA1      GLY  47  11.571   6.027  -1.597
  373    H    GLY  48           HN       GLY  48  11.310   2.972   0.128
  374    HA2  GLY  48           HA2      GLY  48  13.335   3.575   2.051
  375    HA3  GLY  48           HA1      GLY  48  12.655   1.990   1.716
  376    HA   PRO  49           HA       PRO  49  16.944   2.402  -0.191
  377    HB2  PRO  49           HB2      PRO  49  18.295   1.298   2.079
  378    HB3  PRO  49           HB1      PRO  49  18.426   2.929   1.423
  379    HG2  PRO  49           HG2      PRO  49  17.324   2.314   3.876
  380    HG3  PRO  49           HG1      PRO  49  16.978   3.789   2.958
  381    HD2  PRO  49           HD2      PRO  49  15.383   1.263   3.165
  382    HD3  PRO  49           HD1      PRO  49  14.822   2.951   3.142
  383    H    LYS  50           HN       LYS  50  14.842   0.136   0.213
  384    HA   LYS  50           HA       LYS  50  16.725  -2.086  -0.093
  385    HB2  LYS  50           HB2      LYS  50  14.341  -3.341   0.151
  386    HB3  LYS  50           HB1      LYS  50  15.490  -3.073   1.452
  387    HG2  LYS  50           HG2      LYS  50  13.407  -1.042   0.816
  388    HG3  LYS  50           HG1      LYS  50  13.051  -2.458   1.795
  389    HD2  LYS  50           HD2      LYS  50  14.871  -1.864   3.318
  390    HD3  LYS  50           HD1      LYS  50  15.191  -0.426   2.343
  391    HE2  LYS  50           HE2      LYS  50  13.813   0.013   4.382
  392    HE3  LYS  50           HE1      LYS  50  13.016   0.471   2.875
  393    HZ1  LYS  50           HZ       LYS  50  11.638  -1.479   3.075
  394    H    TRP  51           HN       TRP  51  13.363  -1.846  -1.059
  395    HA   TRP  51           HA       TRP  51  13.462  -3.247  -3.398
  396    HB2  TRP  51           HB2      TRP  51  11.502  -1.552  -4.041
  397    HB3  TRP  51           HB1      TRP  51  11.301  -2.785  -2.798
  398    HD1  TRP  51           HD1      TRP  51  12.861   0.772  -2.616
  399    HE1  TRP  51           HE1      TRP  51  11.766   2.013  -0.658
  400    HE3  TRP  51           HE3      TRP  51   9.557  -2.822  -1.105
  401    HZ2  TRP  51           HZ2      TRP  51   9.771   1.539   1.288
  402    HZ3  TRP  51           HZ3      TRP  51   8.108  -2.355   0.817
  403    HH2  TRP  51           HH2      TRP  51   8.206  -0.219   1.988
  Start of MODEL   11
    1    H1   ALA 106           HT1      ALA 106  -7.084  -0.882  11.685
    2    H2   ALA 106           HT2      ALA 106  -6.060  -1.048  13.021
    3    H3   ALA 106           HT3      ALA 106  -7.233   0.170  13.001
    4    HA   ALA 106           HA       ALA 106  -7.900  -1.656  14.424
    5    HB1  ALA 106           HB1      ALA 106  -9.606  -0.326  13.298
    6    HB2  ALA 106           HB2      ALA 106 -10.120  -2.006  13.463
    7    HB3  ALA 106           HB3      ALA 106  -9.543  -1.409  11.907
    8    H    ALA 107           HN       ALA 107  -5.756  -2.873  13.095
    9    HA   ALA 107           HA       ALA 107  -4.952  -4.934  12.581
   10    HB1  ALA 107           HB1      ALA 107  -6.254  -6.898  13.192
   11    HB2  ALA 107           HB2      ALA 107  -7.696  -5.899  13.380
   12    HB3  ALA 107           HB3      ALA 107  -6.322  -5.679  14.465
   13    H    ALA 108           HN       ALA 108  -4.962  -6.563  10.934
   14    HA   ALA 108           HA       ALA 108  -7.034  -6.672   8.968
   15    HB1  ALA 108           HB1      ALA 108  -4.463  -5.299   8.184
   16    HB2  ALA 108           HB2      ALA 108  -6.035  -4.519   8.361
   17    HB3  ALA 108           HB3      ALA 108  -5.787  -5.726   7.100
   18    H    THR 109           HN       THR 109  -6.424  -8.087   7.124
   19    HA   THR 109           HA       THR 109  -4.864 -10.315   8.100
   20    HB   THR 109           HB       THR 109  -5.607 -11.445   6.007
   21    HG1  THR 109           HG1      THR 109  -7.080 -10.342   4.674
   22   HG21  THR 109          HG21      THR 109  -6.962 -11.660   8.002
   23   HG22  THR 109          HG22      THR 109  -8.014 -11.509   6.595
   24   HG23  THR 109          HG23      THR 109  -7.763 -10.127   7.661
   25    H    ASN 110           HN       ASN 110  -2.800  -9.222   8.087
   26    HA   ASN 110           HA       ASN 110  -0.719  -8.880   7.265
   27    HB2  ASN 110           HB2      ASN 110  -1.890 -10.648   5.158
   28    HB3  ASN 110           HB1      ASN 110  -0.325  -9.895   4.872
   29   HD21  ASN 110          HD21      ASN 110   0.846 -11.752   4.929
   30   HD22  ASN 110          HD22      ASN 110   1.074 -12.691   6.362
   31    HA   PRO 111           HA       PRO 111  -0.776  -5.121   4.975
   32    HB2  PRO 111           HB2      PRO 111   1.876  -5.812   3.868
   33    HB3  PRO 111           HB1      PRO 111   1.410  -4.470   4.907
   34    HG2  PRO 111           HG2      PRO 111   2.860  -6.498   5.850
   35    HG3  PRO 111           HG1      PRO 111   1.612  -5.716   6.841
   36    HD2  PRO 111           HD2      PRO 111   1.474  -8.298   5.315
   37    HD3  PRO 111           HD1      PRO 111   0.905  -7.933   6.960
   38    H    ALA 112           HN       ALA 112   1.423  -6.644   2.772
   39    HA   ALA 112           HA       ALA 112   0.350  -5.887   0.415
   40    HB1  ALA 112           HB1      ALA 112   1.564  -8.614   0.774
   41    HB2  ALA 112           HB2      ALA 112   2.507  -7.125   0.813
   42    HB3  ALA 112           HB3      ALA 112   1.627  -7.573  -0.648
   43    H    ARG 113           HN       ARG 113  -0.523  -8.877   2.144
   44    HA   ARG 113           HA       ARG 113  -2.219  -9.985   0.261
   45    HB2  ARG 113           HB2      ARG 113  -2.342 -10.071   3.276
   46    HB3  ARG 113           HB1      ARG 113  -3.326 -11.076   2.229
   47    HG2  ARG 113           HG2      ARG 113  -1.212 -11.971   1.237
   48    HG3  ARG 113           HG1      ARG 113  -0.335 -11.100   2.497
   49    HD2  ARG 113           HD2      ARG 113  -0.708 -13.455   3.089
   50    HD3  ARG 113           HD1      ARG 113  -1.505 -12.354   4.213
   51    HE   ARG 113           HE       ARG 113  -3.118 -13.405   2.030
   52   HH11  ARG 113          HH11      ARG 113  -2.211 -13.569   5.391
   53   HH12  ARG 113          HH12      ARG 113  -3.618 -14.461   5.860
   54   HH21  ARG 113          HH21      ARG 113  -4.975 -14.580   2.640
   55   HH22  ARG 113          HH22      ARG 113  -5.191 -15.035   4.297
   56    H    TYR 114           HN       TYR 114  -2.980  -7.674   2.849
   57    HA   TYR 114           HA       TYR 114  -5.752  -7.500   2.146
   58    HB2  TYR 114           HB2      TYR 114  -5.325  -6.981   4.388
   59    HB3  TYR 114           HB1      TYR 114  -3.938  -5.971   3.994
   60    HD1  TYR 114           HD1      TYR 114  -7.579  -6.157   4.209
   61    HD2  TYR 114           HD2      TYR 114  -4.252  -3.647   3.368
   62    HE1  TYR 114           HE1      TYR 114  -9.032  -4.195   4.361
   63    HE2  TYR 114           HE2      TYR 114  -5.702  -1.669   3.516
   64    HH   TYR 114           HH       TYR 114  -8.811  -1.760   4.828
   65    H    CYS 115           HN       CYS 115  -2.849  -5.842   1.218
   66    HA   CYS 115           HA       CYS 115  -4.108  -3.542   0.103
   67    HB2  CYS 115           HB2      CYS 115  -1.343  -4.708  -0.098
   68    HB3  CYS 115           HB1      CYS 115  -1.810  -3.276  -1.009
   69    H    CYS 116           HN       CYS 116  -3.488  -6.739  -1.078
   70    HA   CYS 116           HA       CYS 116  -3.748  -5.937  -3.854
   71    HB2  CYS 116           HB2      CYS 116  -2.202  -7.749  -3.293
   72    HB3  CYS 116           HB1      CYS 116  -3.520  -8.681  -2.596
   73    H    LEU 117           HN       LEU 117  -5.543  -8.018  -1.602
   74    HA   LEU 117           HA       LEU 117  -7.721  -8.448  -3.357
   75    HB2  LEU 117           HB2      LEU 117  -7.492  -8.751  -0.386
   76    HB3  LEU 117           HB1      LEU 117  -8.860  -9.311  -1.324
   77    HG   LEU 117           HG       LEU 117  -6.020 -10.293  -1.639
   78   HD11  LEU 117          HD11      LEU 117  -6.807 -12.342  -0.596
   79   HD12  LEU 117          HD12      LEU 117  -8.405 -11.630  -0.369
   80   HD13  LEU 117          HD13      LEU 117  -7.014 -10.971   0.494
   81   HD21  LEU 117          HD21      LEU 117  -6.958 -11.978  -3.090
   82   HD22  LEU 117          HD22      LEU 117  -7.376 -10.376  -3.701
   83   HD23  LEU 117          HD23      LEU 117  -8.581 -11.334  -2.842
   84    H    SER 118           HN       SER 118  -8.130  -6.983  -0.169
   85    HA   SER 118           HA       SER 118 -10.421  -5.553  -0.902
   86    HB2  SER 118           HB2      SER 118  -9.916  -6.122   1.426
   87    HB3  SER 118           HB1      SER 118  -8.522  -5.040   1.400
   88    HG   SER 118           HG       SER 118 -10.821  -4.351   2.180
   89    H    GLY 119           HN       GLY 119  -7.028  -4.665  -0.969
   90    HA2  GLY 119           HA2      GLY 119  -6.424  -3.010  -2.685
   91    HA3  GLY 119           HA1      GLY 119  -7.831  -2.093  -2.177
   92    H    CYS 120           HN       CYS 120  -5.592  -0.689  -2.274
   93    HA   CYS 120           HA       CYS 120  -5.190   0.047   0.472
   94    HB2  CYS 120           HB2      CYS 120  -3.203  -1.598  -0.915
   95    HB3  CYS 120           HB1      CYS 120  -2.535  -0.110  -0.254
   96    H    THR 121           HN       THR 121  -5.741   2.120   0.106
   97    HA   THR 121           HA       THR 121  -4.909   3.594  -2.190
   98    HB   THR 121           HB       THR 121  -6.042   5.433  -1.301
   99    HG1  THR 121           HG1      THR 121  -5.636   6.002   0.691
  100   HG21  THR 121          HG21      THR 121  -7.461   3.319  -1.546
  101   HG22  THR 121          HG22      THR 121  -8.139   4.637  -0.593
  102   HG23  THR 121          HG23      THR 121  -7.431   3.237   0.214
  103    H    GLN 122           HN       GLN 122  -3.721   5.766  -1.847
  104    HA   GLN 122           HA       GLN 122  -1.087   5.255  -1.057
  105    HB2  GLN 122           HB2      GLN 122  -1.746   7.101  -2.572
  106    HB3  GLN 122           HB1      GLN 122  -2.469   7.946  -1.212
  107    HG2  GLN 122           HG2      GLN 122  -0.261   8.031  -0.125
  108    HG3  GLN 122           HG1      GLN 122   0.439   7.264  -1.548
  109   HE21  GLN 122          HE21      GLN 122   1.795   9.055  -1.819
  110   HE22  GLN 122          HE22      GLN 122   1.212  10.531  -2.496
  111    H    GLN 123           HN       GLN 123  -3.826   6.487   0.716
  112    HA   GLN 123           HA       GLN 123  -2.391   7.370   3.004
  113    HB2  GLN 123           HB2      GLN 123  -5.275   6.479   2.797
  114    HB3  GLN 123           HB1      GLN 123  -4.575   7.415   4.109
  115    HG2  GLN 123           HG2      GLN 123  -4.610   8.380   1.268
  116    HG3  GLN 123           HG1      GLN 123  -5.923   8.691   2.402
  117   HE21  GLN 123          HE21      GLN 123  -5.613  10.902   2.340
  118   HE22  GLN 123          HE22      GLN 123  -4.261  11.673   3.090
  119    H    ASP 124           HN       ASP 124  -4.024   4.348   2.154
  120    HA   ASP 124           HA       ASP 124  -3.478   3.100   4.669
  121    HB2  ASP 124           HB2      ASP 124  -4.370   1.941   2.023
  122    HB3  ASP 124           HB1      ASP 124  -4.268   1.029   3.528
  123    H    LEU 125           HN       LEU 125  -1.663   3.621   1.810
  124    HA   LEU 125           HA       LEU 125   0.107   1.388   2.169
  125    HB2  LEU 125           HB2      LEU 125   0.174   1.798  -0.027
  126    HB3  LEU 125           HB1      LEU 125  -0.683   3.297   0.175
  127    HG   LEU 125           HG       LEU 125   1.494   4.368   0.690
  128   HD11  LEU 125          HD11      LEU 125   3.455   3.033  -0.247
  129   HD12  LEU 125          HD12      LEU 125   2.392   1.641  -0.058
  130   HD13  LEU 125          HD13      LEU 125   2.861   2.582   1.352
  131   HD21  LEU 125          HD21      LEU 125   0.502   4.626  -1.474
  132   HD22  LEU 125          HD22      LEU 125   1.103   3.050  -1.953
  133   HD23  LEU 125          HD23      LEU 125   2.232   4.354  -1.676
  134    H    LEU 126           HN       LEU 126   0.062   4.859   2.404
  135    HA   LEU 126           HA       LEU 126   2.501   5.575   3.261
  136    HB2  LEU 126           HB2      LEU 126   0.201   6.802   2.985
  137    HB3  LEU 126           HB1      LEU 126   0.086   6.555   4.713
  138    HG   LEU 126           HG       LEU 126   2.470   7.837   3.488
  139   HD11  LEU 126          HD11      LEU 126   1.378  10.024   4.055
  140   HD12  LEU 126          HD12      LEU 126  -0.133   9.138   4.258
  141   HD13  LEU 126          HD13      LEU 126   0.665   9.174   2.685
  142   HD21  LEU 126          HD21      LEU 126   2.969   7.372   5.684
  143   HD22  LEU 126          HD22      LEU 126   1.290   7.527   6.209
  144   HD23  LEU 126          HD23      LEU 126   2.247   8.973   5.859
  145    H    THR 127           HN       THR 127  -0.179   4.690   5.399
  146    HA   THR 127           HA       THR 127   1.328   4.664   7.756
  147    HB   THR 127           HB       THR 127  -1.054   4.927   7.810
  148    HG1  THR 127           HG1      THR 127  -0.285   4.054   9.703
  149   HG21  THR 127          HG21      THR 127  -2.556   3.046   7.337
  150   HG22  THR 127          HG22      THR 127  -1.172   2.073   6.842
  151   HG23  THR 127          HG23      THR 127  -1.619   3.504   5.916
  152    H    LEU 128           HN       LEU 128   1.370   2.483   5.193
  153    HA   LEU 128           HA       LEU 128   2.023   0.194   6.861
  154    HB2  LEU 128           HB2      LEU 128   1.753   0.573   3.903
  155    HB3  LEU 128           HB1      LEU 128   2.695  -0.768   4.503
  156    HG   LEU 128           HG       LEU 128  -0.049  -0.389   5.587
  157   HD11  LEU 128          HD11      LEU 128  -1.166  -1.175   3.776
  158   HD12  LEU 128          HD12      LEU 128   0.237  -2.045   3.156
  159   HD13  LEU 128          HD13      LEU 128   0.114  -0.297   2.937
  160   HD21  LEU 128          HD21      LEU 128   1.495  -2.075   6.470
  161   HD22  LEU 128          HD22      LEU 128   1.567  -2.790   4.862
  162   HD23  LEU 128          HD23      LEU 128   0.046  -2.782   5.752
  163    H    CYS 129           HN       CYS 129   3.625   2.656   5.000
  164    HA   CYS 129           HA       CYS 129   6.072   2.222   4.484
  165    HB2  CYS 129           HB2      CYS 129   5.410   4.479   4.762
  166    HB3  CYS 129           HB1      CYS 129   5.216   4.278   6.497
  167    HA   PRO 130           HA       PRO 130   8.011   1.591   8.845
  168    HB2  PRO 130           HB2      PRO 130   6.307   0.975  10.900
  169    HB3  PRO 130           HB1      PRO 130   6.904   2.599  10.551
  170    HG2  PRO 130           HG2      PRO 130   4.275   1.361   9.897
  171    HG3  PRO 130           HG1      PRO 130   4.647   3.025  10.383
  172    HD2  PRO 130           HD2      PRO 130   4.130   2.293   7.815
  173    HD3  PRO 130           HD1      PRO 130   5.171   3.659   8.232
  174    H    TYR 131           HN       TYR 131   8.293  -0.248   7.341
  175    HA   TYR 131           HA       TYR 131   8.332  -2.665   8.676
  176    HB2  TYR 131           HB2      TYR 131   6.473  -3.842   8.151
  177    HB3  TYR 131           HB1      TYR 131   5.751  -2.261   7.911
  178    HD1  TYR 131           HD2      TYR 131   7.110  -5.235   6.236
  179    HD2  TYR 131           HD1      TYR 131   5.175  -1.487   5.692
  180    HE1  TYR 131           HE2      TYR 131   6.563  -5.854   3.919
  181    HE2  TYR 131           HE1      TYR 131   4.623  -2.092   3.388
  182    HH   TYR 131           HH       TYR 131   4.922  -5.256   2.191
  183    H    GLY 132           HN       GLY 132   9.814  -3.926   7.729
  184    HA2  GLY 132           HA2      GLY 132  11.369  -4.654   6.202
  185    HA3  GLY 132           HA1      GLY 132  10.188  -4.257   4.963
  186    H2   PRO  25           HT1      PRO  25 -11.564  14.096  -6.582
  187    H3   PRO  25           HT2      PRO  25 -12.899  14.943  -6.988
  188    HA   PRO  25           HA       PRO  25 -13.494  13.625  -8.561
  189    HB2  PRO  25           HB2      PRO  25 -11.142  12.403  -9.590
  190    HB3  PRO  25           HB1      PRO  25 -12.179  13.600 -10.379
  191    HG2  PRO  25           HG2      PRO  25  -9.672  13.992  -8.846
  192    HG3  PRO  25           HG1      PRO  25 -10.344  14.954 -10.176
  193    HD2  PRO  25           HD2      PRO  25 -10.400  15.873  -7.672
  194    HD3  PRO  25           HD1      PRO  25 -11.775  16.137  -8.759
  195    H    THR  26           HN       THR  26 -14.399  12.154  -7.248
  196    HA   THR  26           HA       THR  26 -14.755  10.229  -6.113
  197    HB   THR  26           HB       THR  26 -13.617   8.253  -6.742
  198    HG1  THR  26           HG1      THR  26 -11.475   8.793  -6.457
  199   HG21  THR  26          HG21      THR  26 -13.484   8.414  -9.203
  200   HG22  THR  26          HG22      THR  26 -13.549  10.171  -9.073
  201   HG23  THR  26          HG23      THR  26 -14.924   9.197  -8.554
  202    HA   PRO  27           HA       PRO  27 -12.341  10.534  -2.413
  203    HB2  PRO  27           HB2      PRO  27 -13.399   8.547  -0.971
  204    HB3  PRO  27           HB1      PRO  27 -14.356   9.966  -1.417
  205    HG2  PRO  27           HG2      PRO  27 -14.332   7.236  -2.639
  206    HG3  PRO  27           HG1      PRO  27 -15.710   8.293  -2.287
  207    HD2  PRO  27           HD2      PRO  27 -14.534   8.028  -4.770
  208    HD3  PRO  27           HD1      PRO  27 -15.477   9.437  -4.249
  209    H    GLU  28           HN       GLU  28 -11.683   8.357  -0.744
  210    HA   GLU  28           HA       GLU  28  -9.204   7.587  -1.720
  211    HB2  GLU  28           HB2      GLU  28  -9.721   5.566   0.028
  212    HB3  GLU  28           HB1      GLU  28  -9.139   7.156   0.488
  213    HG2  GLU  28           HG2      GLU  28 -11.372   7.875   1.008
  214    HG3  GLU  28           HG1      GLU  28 -12.041   6.360   0.403
  215    H    MET  29           HN       MET  29  -8.965   6.578  -3.597
  216    HA   MET  29           HA       MET  29 -10.618   4.225  -4.170
  217    HB2  MET  29           HB2      MET  29  -9.033   6.093  -5.909
  218    HB3  MET  29           HB1      MET  29  -9.536   4.515  -6.493
  219    HG2  MET  29           HG2      MET  29 -11.673   6.094  -5.268
  220    HG3  MET  29           HG1      MET  29 -10.977   6.799  -6.724
  221    HE1  MET  29           HE1      MET  29 -11.245   2.902  -5.969
  222    HE2  MET  29           HE2      MET  29 -12.878   2.592  -6.560
  223    HE3  MET  29           HE3      MET  29 -12.631   3.631  -5.157
  224    H    ARG  30           HN       ARG  30  -9.681   2.494  -3.273
  225    HA   ARG  30           HA       ARG  30  -6.959   2.099  -2.817
  226    HB2  ARG  30           HB2      ARG  30  -9.328   0.293  -2.997
  227    HB3  ARG  30           HB1      ARG  30  -7.724  -0.421  -2.905
  228    HG2  ARG  30           HG2      ARG  30  -8.275  -0.358  -0.696
  229    HG3  ARG  30           HG1      ARG  30  -7.491   1.215  -0.857
  230    HD2  ARG  30           HD2      ARG  30  -9.793   2.158  -1.327
  231    HD3  ARG  30           HD1      ARG  30 -10.434   0.604  -0.799
  232    HE   ARG  30           HE       ARG  30  -8.639   1.806   1.094
  233   HH11  ARG  30          HH11      ARG  30 -11.939   1.656  -0.017
  234   HH12  ARG  30          HH12      ARG  30 -12.606   2.184   1.491
  235   HH21  ARG  30          HH21      ARG  30  -9.510   2.501   3.084
  236   HH22  ARG  30          HH22      ARG  30 -11.226   2.665   3.253
  237    H    GLU  31           HN       GLU  31  -5.303   1.334  -4.003
  238    HA   GLU  31           HA       GLU  31  -5.835   0.800  -6.836
  239    HB2  GLU  31           HB2      GLU  31  -3.201   1.434  -5.520
  240    HB3  GLU  31           HB1      GLU  31  -3.526   1.364  -7.243
  241    HG2  GLU  31           HG2      GLU  31  -5.051   3.277  -7.018
  242    HG3  GLU  31           HG1      GLU  31  -4.656   3.368  -5.303
  243    H    LYS  32           HN       LYS  32  -6.319  -1.240  -4.897
  244    HA   LYS  32           HA       LYS  32  -5.458  -3.231  -4.048
  245    HB2  LYS  32           HB2      LYS  32  -5.723  -3.536  -7.004
  246    HB3  LYS  32           HB1      LYS  32  -5.820  -4.811  -5.814
  247    HG2  LYS  32           HG2      LYS  32  -7.672  -3.123  -4.843
  248    HG3  LYS  32           HG1      LYS  32  -7.821  -2.829  -6.573
  249    HD2  LYS  32           HD2      LYS  32  -8.078  -5.244  -6.937
  250    HD3  LYS  32           HD1      LYS  32  -7.982  -5.506  -5.198
  251    HE2  LYS  32           HE2      LYS  32  -9.995  -4.219  -4.849
  252    HE3  LYS  32           HE1      LYS  32 -10.070  -3.812  -6.563
  253    HZ1  LYS  32           HZ1      LYS  32 -10.383  -6.159  -7.063
  254    HZ2  LYS  32           HZ2      LYS  32 -11.591  -5.602  -6.020
  255    HZ3  LYS  32           HZ3      LYS  32 -10.321  -6.541  -5.416
  256    H    LEU  33           HN       LEU  33  -3.329  -2.137  -3.651
  257    HA   LEU  33           HA       LEU  33  -1.105  -2.540  -5.330
  258    HB2  LEU  33           HB2      LEU  33  -1.051  -2.283  -2.328
  259    HB3  LEU  33           HB1      LEU  33   0.234  -1.903  -3.452
  260    HG   LEU  33           HG       LEU  33  -2.331  -0.386  -3.068
  261   HD11  LEU  33          HD11      LEU  33   0.548   0.406  -2.687
  262   HD12  LEU  33          HD12      LEU  33  -0.597   0.035  -1.398
  263   HD13  LEU  33          HD13      LEU  33  -0.857   1.440  -2.432
  264   HD21  LEU  33          HD21      LEU  33  -1.916  -0.380  -5.405
  265   HD22  LEU  33          HD22      LEU  33  -0.209  -0.063  -5.145
  266   HD23  LEU  33          HD23      LEU  33  -1.394   1.177  -4.762
  267    H    CYS  34           HN       CYS  34  -1.179  -4.673  -6.029
  268    HA   CYS  34           HA       CYS  34  -1.060  -6.827  -4.117
  269    HB2  CYS  34           HB2      CYS  34  -2.123  -6.719  -6.549
  270    HB3  CYS  34           HB1      CYS  34  -0.519  -7.270  -7.015
  271    H    GLY  35           HN       GLY  35   0.767  -8.333  -6.035
  272    HA2  GLY  35           HA2      GLY  35   3.071  -8.417  -4.617
  273    HA3  GLY  35           HA1      GLY  35   3.005  -8.754  -6.337
  274    H    HIS  36           HN       HIS  36   3.702  -7.189  -7.811
  275    HA   HIS  36           HA       HIS  36   5.756  -5.482  -6.840
  276    HB2  HIS  36           HB2      HIS  36   6.106  -4.871  -9.162
  277    HB3  HIS  36           HB1      HIS  36   5.863  -6.609  -9.033
  278    HD1  HIS  36           HD1      HIS  36   4.657  -3.679 -10.829
  279    HD2  HIS  36           HD2      HIS  36   3.164  -7.417  -9.794
  280    HE1  HIS  36           HE1      HIS  36   2.673  -4.097 -12.342
  281    H    HIS  37           HN       HIS  37   2.396  -4.992  -7.390
  282    HA   HIS  37           HA       HIS  37   2.412  -2.236  -7.980
  283    HB2  HIS  37           HB2      HIS  37   0.267  -3.721  -6.465
  284    HB3  HIS  37           HB1      HIS  37   0.079  -2.235  -7.386
  285    HD1  HIS  37           HD1      HIS  37   0.058  -5.913  -7.752
  286    HD2  HIS  37           HD2      HIS  37   0.223  -2.571 -10.212
  287    HE1  HIS  37           HE1      HIS  37  -0.485  -6.722 -10.086
  288    H    PHE  38           HN       PHE  38   2.089  -3.951  -4.867
  289    HA   PHE  38           HA       PHE  38   2.007  -1.534  -3.360
  290    HB2  PHE  38           HB2      PHE  38   1.051  -3.707  -2.562
  291    HB3  PHE  38           HB1      PHE  38   2.690  -4.308  -2.357
  292    HD1  PHE  38           HD1      PHE  38   2.194  -0.808  -1.579
  293    HD2  PHE  38           HD2      PHE  38   1.998  -4.743   0.026
  294    HE1  PHE  38           HE1      PHE  38   2.280   0.098   0.696
  295    HE2  PHE  38           HE2      PHE  38   2.099  -3.834   2.288
  296    HZ   PHE  38           HZ       PHE  38   2.238  -1.408   2.626
  297    H    VAL  39           HN       VAL  39   4.558  -3.846  -4.180
  298    HA   VAL  39           HA       VAL  39   6.606  -2.854  -2.591
  299    HB   VAL  39           HB       VAL  39   6.740  -4.052  -5.361
  300   HG11  VAL  39          HG11      VAL  39   9.130  -4.472  -4.872
  301   HG12  VAL  39          HG12      VAL  39   8.982  -3.471  -3.427
  302   HG13  VAL  39          HG13      VAL  39   8.750  -2.756  -5.022
  303   HG21  VAL  39          HG21      VAL  39   7.439  -6.070  -4.157
  304   HG22  VAL  39          HG22      VAL  39   5.839  -5.528  -3.648
  305   HG23  VAL  39          HG23      VAL  39   7.242  -5.219  -2.625
  306    H    ARG  40           HN       ARG  40   5.374  -1.681  -5.672
  307    HA   ARG  40           HA       ARG  40   7.422   0.322  -5.969
  308    HB2  ARG  40           HB2      ARG  40   6.175  -0.822  -7.850
  309    HB3  ARG  40           HB1      ARG  40   4.785   0.153  -7.420
  310    HG2  ARG  40           HG2      ARG  40   6.018   2.176  -7.873
  311    HG3  ARG  40           HG1      ARG  40   7.469   1.242  -8.239
  312    HD2  ARG  40           HD2      ARG  40   4.870   0.973  -9.739
  313    HD3  ARG  40           HD1      ARG  40   6.188   2.030 -10.242
  314    HE   ARG  40           HE       ARG  40   6.637  -0.856  -9.911
  315   HH11  ARG  40          HH11      ARG  40   6.604   2.008 -11.899
  316   HH12  ARG  40          HH12      ARG  40   7.416   1.250 -13.228
  317   HH21  ARG  40          HH21      ARG  40   7.706  -1.860 -11.659
  318   HH22  ARG  40          HH22      ARG  40   8.041  -0.947 -13.092
  319    H    ALA  41           HN       ALA  41   3.893   0.480  -5.633
  320    HA   ALA  41           HA       ALA  41   3.530   3.134  -5.145
  321    HB1  ALA  41           HB1      ALA  41   1.446   2.617  -4.356
  322    HB2  ALA  41           HB2      ALA  41   2.027   1.258  -3.393
  323    HB3  ALA  41           HB3      ALA  41   1.857   1.093  -5.143
  324    H    LEU  42           HN       LEU  42   4.982   0.778  -3.056
  325    HA   LEU  42           HA       LEU  42   4.797   2.401  -0.715
  326    HB2  LEU  42           HB2      LEU  42   4.639  -0.051  -0.692
  327    HB3  LEU  42           HB1      LEU  42   6.275  -0.151  -1.272
  328    HG   LEU  42           HG       LEU  42   7.161   0.185   0.696
  329   HD11  LEU  42          HD11      LEU  42   5.804   1.532   2.497
  330   HD12  LEU  42          HD12      LEU  42   4.993   2.116   1.049
  331   HD13  LEU  42          HD13      LEU  42   6.722   2.356   1.231
  332   HD21  LEU  42          HD21      LEU  42   5.575  -1.660   0.975
  333   HD22  LEU  42          HD22      LEU  42   4.379  -0.503   1.548
  334   HD23  LEU  42          HD23      LEU  42   5.840  -0.790   2.488
  335    H    VAL  43           HN       VAL  43   7.366   1.354  -2.959
  336    HA   VAL  43           HA       VAL  43   9.460   2.739  -1.727
  337    HB   VAL  43           HB       VAL  43   9.386   1.025  -3.767
  338   HG11  VAL  43          HG11      VAL  43   9.725   3.691  -5.122
  339   HG12  VAL  43          HG12      VAL  43   8.338   2.621  -5.300
  340   HG13  VAL  43          HG13      VAL  43   9.925   2.107  -5.869
  341   HG21  VAL  43          HG21      VAL  43  11.703   1.461  -4.108
  342   HG22  VAL  43          HG22      VAL  43  11.321   1.796  -2.421
  343   HG23  VAL  43          HG23      VAL  43  11.526   3.128  -3.556
  344    H    ARG  44           HN       ARG  44   6.694   3.874  -3.164
  345    HA   ARG  44           HA       ARG  44   7.790   6.350  -4.186
  346    HB2  ARG  44           HB2      ARG  44   6.028   5.358  -5.457
  347    HB3  ARG  44           HB1      ARG  44   5.002   5.271  -4.039
  348    HG2  ARG  44           HG2      ARG  44   5.010   7.750  -3.949
  349    HG3  ARG  44           HG1      ARG  44   5.887   7.752  -5.474
  350    HD2  ARG  44           HD2      ARG  44   3.570   8.075  -5.960
  351    HD3  ARG  44           HD1      ARG  44   4.016   6.450  -6.478
  352    HE   ARG  44           HE       ARG  44   2.961   6.482  -3.827
  353   HH11  ARG  44          HH11      ARG  44   2.086   6.521  -7.201
  354   HH12  ARG  44          HH12      ARG  44   0.516   5.840  -6.933
  355   HH21  ARG  44          HH21      ARG  44   0.894   5.585  -3.468
  356   HH22  ARG  44          HH22      ARG  44  -0.161   5.311  -4.814
  357    H    VAL  45           HN       VAL  45   5.250   5.543  -1.783
  358    HA   VAL  45           HA       VAL  45   5.346   8.222  -0.764
  359    HB   VAL  45           HB       VAL  45   3.479   7.764   0.480
  360   HG11  VAL  45          HG11      VAL  45   2.899   7.424  -1.814
  361   HG12  VAL  45          HG12      VAL  45   2.018   6.239  -0.831
  362   HG13  VAL  45          HG13      VAL  45   3.447   5.745  -1.749
  363   HG21  VAL  45          HG21      VAL  45   4.379   4.898   0.627
  364   HG22  VAL  45          HG22      VAL  45   2.806   5.466   1.192
  365   HG23  VAL  45          HG23      VAL  45   4.287   6.071   1.943
  366    H    CYS  46           HN       CYS  46   6.534   5.095   0.418
  367    HA   CYS  46           HA       CYS  46   7.596   6.490   2.770
  368    HB2  CYS  46           HB2      CYS  46   6.330   4.533   3.340
  369    HB3  CYS  46           HB1      CYS  46   7.239   3.544   2.223
  370    H    GLY  47           HN       GLY  47   8.566   4.908  -0.151
  371    HA2  GLY  47           HA2      GLY  47  10.645   4.364  -1.015
  372    HA3  GLY  47           HA1      GLY  47  11.031   5.975  -0.443
  373    H    GLY  48           HN       GLY  48  11.374   2.560   0.126
  374    HA2  GLY  48           HA2      GLY  48  13.113   3.094   2.452
  375    HA3  GLY  48           HA1      GLY  48  12.360   1.552   2.085
  376    HA   PRO  49           HA       PRO  49  16.634   1.564   0.240
  377    HB2  PRO  49           HB2      PRO  49  18.088   0.352   2.126
  378    HB3  PRO  49           HB1      PRO  49  17.716   2.077   2.212
  379    HG2  PRO  49           HG2      PRO  49  16.567  -0.186   3.754
  380    HG3  PRO  49           HG1      PRO  49  16.812   1.499   4.240
  381    HD2  PRO  49           HD2      PRO  49  14.404   0.314   3.333
  382    HD3  PRO  49           HD1      PRO  49  14.700   2.036   3.622
  383    H    LYS  50           HN       LYS  50  14.343  -0.698   1.051
  384    HA   LYS  50           HA       LYS  50  15.954  -3.024   0.335
  385    HB2  LYS  50           HB2      LYS  50  13.081  -2.752   1.223
  386    HB3  LYS  50           HB1      LYS  50  13.792  -4.279   0.724
  387    HG2  LYS  50           HG2      LYS  50  13.902  -4.294   3.054
  388    HG3  LYS  50           HG1      LYS  50  15.534  -3.875   2.534
  389    HD2  LYS  50           HD2      LYS  50  14.870  -2.458   4.382
  390    HD3  LYS  50           HD1      LYS  50  15.016  -1.497   2.909
  391    HE2  LYS  50           HE2      LYS  50  13.015  -0.913   4.232
  392    HE3  LYS  50           HE1      LYS  50  12.617  -1.503   2.619
  393    HZ1  LYS  50           HZ       LYS  50  11.993  -3.620   3.645
  394    H    TRP  51           HN       TRP  51  12.624  -2.458  -0.599
  395    HA   TRP  51           HA       TRP  51  12.489  -3.631  -3.005
  396    HB2  TRP  51           HB2      TRP  51  11.008  -1.318  -3.451
  397    HB3  TRP  51           HB1      TRP  51  10.430  -2.784  -2.663
  398    HD1  TRP  51           HD1      TRP  51  12.483   0.293  -1.459
  399    HE1  TRP  51           HE1      TRP  51  11.558   0.994   0.830
  400    HE3  TRP  51           HE3      TRP  51   8.751  -3.151  -0.968
  401    HZ2  TRP  51           HZ2      TRP  51   9.549   0.198   2.618
  402    HZ3  TRP  51           HZ3      TRP  51   7.383  -3.127   1.060
  403    HH2  TRP  51           HH2      TRP  51   7.752  -1.469   2.800
  Start of MODEL   12
    1    H1   ALA 106           HT1      ALA 106 -11.591   2.222   9.301
    2    H2   ALA 106           HT2      ALA 106 -12.103   0.952  10.295
    3    H3   ALA 106           HT3      ALA 106 -11.837   0.680   8.648
    4    HA   ALA 106           HA       ALA 106  -9.496   1.096   8.898
    5    HB1  ALA 106           HB1      ALA 106  -9.675   2.732  10.708
    6    HB2  ALA 106           HB2      ALA 106  -8.523   1.455  11.101
    7    HB3  ALA 106           HB3      ALA 106 -10.131   1.447  11.825
    8    H    ALA 107           HN       ALA 107  -9.629  -1.019   8.133
    9    HA   ALA 107           HA       ALA 107  -9.307  -3.066  10.209
   10    HB1  ALA 107           HB1      ALA 107 -11.641  -3.149   9.373
   11    HB2  ALA 107           HB2      ALA 107 -10.731  -4.627   9.060
   12    HB3  ALA 107           HB3      ALA 107 -11.012  -3.472   7.756
   13    H    ALA 108           HN       ALA 108  -7.213  -3.558   9.919
   14    HA   ALA 108           HA       ALA 108  -6.397  -4.460   7.245
   15    HB1  ALA 108           HB1      ALA 108  -4.728  -2.727   9.063
   16    HB2  ALA 108           HB2      ALA 108  -5.505  -2.211   7.565
   17    HB3  ALA 108           HB3      ALA 108  -4.211  -3.408   7.520
   18    H    THR 109           HN       THR 109  -6.299  -6.606   7.622
   19    HA   THR 109           HA       THR 109  -5.283  -7.712  10.068
   20    HB   THR 109           HB       THR 109  -5.576  -9.888   9.004
   21    HG1  THR 109           HG1      THR 109  -5.794  -8.297   6.683
   22   HG21  THR 109          HG21      THR 109  -7.865  -8.023   8.363
   23   HG22  THR 109          HG22      THR 109  -7.559  -8.774   9.929
   24   HG23  THR 109          HG23      THR 109  -7.973  -9.775   8.536
   25    H    ASN 110           HN       ASN 110  -4.112  -7.448   6.734
   26    HA   ASN 110           HA       ASN 110  -1.370  -7.621   7.695
   27    HB2  ASN 110           HB2      ASN 110  -2.542  -9.515   5.652
   28    HB3  ASN 110           HB1      ASN 110  -0.811  -9.271   5.864
   29   HD21  ASN 110          HD21      ASN 110  -3.724 -10.544   7.266
   30   HD22  ASN 110          HD22      ASN 110  -2.959 -11.492   8.493
   31    HA   PRO 111           HA       PRO 111  -0.614  -4.428   4.753
   32    HB2  PRO 111           HB2      PRO 111   1.879  -5.890   4.018
   33    HB3  PRO 111           HB1      PRO 111   1.675  -4.226   4.569
   34    HG2  PRO 111           HG2      PRO 111   2.652  -6.060   6.210
   35    HG3  PRO 111           HG1      PRO 111   1.479  -4.869   6.807
   36    HD2  PRO 111           HD2      PRO 111   1.035  -7.734   6.028
   37    HD3  PRO 111           HD1      PRO 111   0.410  -6.842   7.431
   38    H    ALA 112           HN       ALA 112   1.424  -6.205   2.758
   39    HA   ALA 112           HA       ALA 112   0.318  -5.836   0.366
   40    HB1  ALA 112           HB1      ALA 112   1.515  -8.489   1.138
   41    HB2  ALA 112           HB2      ALA 112   2.448  -7.030   0.808
   42    HB3  ALA 112           HB3      ALA 112   1.475  -7.762  -0.469
   43    H    ARG 113           HN       ARG 113  -0.661  -8.459   2.547
   44    HA   ARG 113           HA       ARG 113  -2.391  -9.813   0.856
   45    HB2  ARG 113           HB2      ARG 113  -2.185  -9.477   3.810
   46    HB3  ARG 113           HB1      ARG 113  -3.638 -10.217   3.162
   47    HG2  ARG 113           HG2      ARG 113  -2.043 -11.915   3.791
   48    HG3  ARG 113           HG1      ARG 113  -2.268 -11.915   2.042
   49    HD2  ARG 113           HD2      ARG 113   0.084 -12.159   2.603
   50    HD3  ARG 113           HD1      ARG 113  -0.200 -10.625   1.783
   51    HE   ARG 113           HE       ARG 113  -0.326  -9.873   4.332
   52   HH11  ARG 113          HH11      ARG 113   1.960 -11.925   2.687
   53   HH12  ARG 113          HH12      ARG 113   3.282 -11.496   3.720
   54   HH21  ARG 113          HH21      ARG 113   1.409  -9.304   5.696
   55   HH22  ARG 113          HH22      ARG 113   2.969 -10.008   5.430
   56    H    TYR 114           HN       TYR 114  -3.162  -7.176   3.131
   57    HA   TYR 114           HA       TYR 114  -5.876  -6.964   2.267
   58    HB2  TYR 114           HB2      TYR 114  -5.511  -6.193   4.449
   59    HB3  TYR 114           HB1      TYR 114  -4.076  -5.281   3.992
   60    HD1  TYR 114           HD1      TYR 114  -7.754  -5.362   3.854
   61    HD2  TYR 114           HD2      TYR 114  -4.254  -3.013   3.304
   62    HE1  TYR 114           HE1      TYR 114  -9.136  -3.350   3.714
   63    HE2  TYR 114           HE2      TYR 114  -5.631  -0.986   3.160
   64    HH   TYR 114           HH       TYR 114  -7.950  -0.365   2.611
   65    H    CYS 115           HN       CYS 115  -2.874  -5.612   1.211
   66    HA   CYS 115           HA       CYS 115  -3.981  -3.386  -0.196
   67    HB2  CYS 115           HB2      CYS 115  -1.317  -4.602   0.163
   68    HB3  CYS 115           HB1      CYS 115  -1.555  -3.729  -1.346
   69    H    CYS 116           HN       CYS 116  -3.595  -6.732  -0.940
   70    HA   CYS 116           HA       CYS 116  -3.952  -6.181  -3.802
   71    HB2  CYS 116           HB2      CYS 116  -2.090  -7.670  -3.215
   72    HB3  CYS 116           HB1      CYS 116  -3.210  -8.762  -2.407
   73    H    LEU 117           HN       LEU 117  -5.667  -7.219  -1.036
   74    HA   LEU 117           HA       LEU 117  -7.610  -8.797  -2.460
   75    HB2  LEU 117           HB2      LEU 117  -7.413  -7.821   0.359
   76    HB3  LEU 117           HB1      LEU 117  -8.851  -8.627  -0.230
   77    HG   LEU 117           HG       LEU 117  -6.084  -9.836  -0.212
   78   HD11  LEU 117          HD11      LEU 117  -6.933  -9.511   2.049
   79   HD12  LEU 117          HD12      LEU 117  -6.915 -11.222   1.618
   80   HD13  LEU 117          HD13      LEU 117  -8.434 -10.327   1.611
   81   HD21  LEU 117          HD21      LEU 117  -7.488 -10.727  -1.986
   82   HD22  LEU 117          HD22      LEU 117  -8.784 -11.031  -0.829
   83   HD23  LEU 117          HD23      LEU 117  -7.267 -11.926  -0.710
   84    H    SER 118           HN       SER 118  -8.539  -6.257  -0.212
   85    HA   SER 118           HA       SER 118 -10.628  -5.424  -2.017
   86    HB2  SER 118           HB2      SER 118 -11.128  -5.592   0.359
   87    HB3  SER 118           HB1      SER 118  -9.859  -4.426   0.736
   88    HG   SER 118           HG       SER 118 -12.257  -3.961  -0.703
   89    H    GLY 119           HN       GLY 119  -7.569  -4.163  -0.849
   90    HA2  GLY 119           HA2      GLY 119  -6.443  -2.705  -2.552
   91    HA3  GLY 119           HA1      GLY 119  -7.947  -1.807  -2.595
   92    H    CYS 120           HN       CYS 120  -5.403  -0.706  -2.024
   93    HA   CYS 120           HA       CYS 120  -5.993   0.425   0.599
   94    HB2  CYS 120           HB2      CYS 120  -3.647   0.216   1.327
   95    HB3  CYS 120           HB1      CYS 120  -4.387  -1.362   1.074
   96    H    THR 121           HN       THR 121  -5.997   2.553   0.409
   97    HA   THR 121           HA       THR 121  -5.022   3.860  -1.929
   98    HB   THR 121           HB       THR 121  -5.944   5.836  -1.090
   99    HG1  THR 121           HG1      THR 121  -5.179   4.777   1.375
  100   HG21  THR 121          HG21      THR 121  -7.641   4.043  -1.392
  101   HG22  THR 121          HG22      THR 121  -8.115   5.254  -0.201
  102   HG23  THR 121          HG23      THR 121  -7.516   3.684   0.330
  103    H    GLN 122           HN       GLN 122  -3.739   6.038  -1.464
  104    HA   GLN 122           HA       GLN 122  -1.098   5.322  -0.878
  105    HB2  GLN 122           HB2      GLN 122  -1.833   7.297  -2.236
  106    HB3  GLN 122           HB1      GLN 122  -2.293   8.102  -0.746
  107    HG2  GLN 122           HG2      GLN 122   0.095   7.805   0.008
  108    HG3  GLN 122           HG1      GLN 122   0.454   7.310  -1.645
  109   HE21  GLN 122          HE21      GLN 122   1.847   9.056  -1.917
  110   HE22  GLN 122          HE22      GLN 122   1.262  10.664  -2.143
  111    H    GLN 123           HN       GLN 123  -3.663   6.517   1.153
  112    HA   GLN 123           HA       GLN 123  -1.953   7.103   3.398
  113    HB2  GLN 123           HB2      GLN 123  -4.958   6.833   3.178
  114    HB3  GLN 123           HB1      GLN 123  -4.109   7.362   4.623
  115    HG2  GLN 123           HG2      GLN 123  -3.293   9.318   3.493
  116    HG3  GLN 123           HG1      GLN 123  -3.977   8.764   1.965
  117   HE21  GLN 123          HE21      GLN 123  -5.234  10.600   1.729
  118   HE22  GLN 123          HE22      GLN 123  -6.633  10.897   2.696
  119    H    ASP 124           HN       ASP 124  -3.816   4.400   2.237
  120    HA   ASP 124           HA       ASP 124  -3.664   2.911   4.699
  121    HB2  ASP 124           HB2      ASP 124  -4.457   2.085   1.895
  122    HB3  ASP 124           HB1      ASP 124  -4.543   1.026   3.299
  123    H    LEU 125           HN       LEU 125  -1.695   3.554   2.027
  124    HA   LEU 125           HA       LEU 125   0.006   1.262   2.335
  125    HB2  LEU 125           HB2      LEU 125  -0.058   1.754   0.135
  126    HB3  LEU 125           HB1      LEU 125  -0.656   3.357   0.424
  127    HG   LEU 125           HG       LEU 125   1.607   4.075   0.928
  128   HD11  LEU 125          HD11      LEU 125   3.444   2.530   0.172
  129   HD12  LEU 125          HD12      LEU 125   2.210   1.274   0.104
  130   HD13  LEU 125          HD13      LEU 125   2.616   2.020   1.649
  131   HD21  LEU 125          HD21      LEU 125   0.788   4.493  -1.250
  132   HD22  LEU 125          HD22      LEU 125   1.060   2.825  -1.719
  133   HD23  LEU 125          HD23      LEU 125   2.430   3.880  -1.433
  134    H    LEU 126           HN       LEU 126  -0.138   4.706   2.768
  135    HA   LEU 126           HA       LEU 126   2.372   5.372   3.635
  136    HB2  LEU 126           HB2      LEU 126  -0.362   6.297   4.280
  137    HB3  LEU 126           HB1      LEU 126   0.897   6.801   5.385
  138    HG   LEU 126           HG       LEU 126   0.963   7.311   2.411
  139   HD11  LEU 126          HD11      LEU 126  -0.878   8.537   3.360
  140   HD12  LEU 126          HD12      LEU 126   0.450   9.650   3.031
  141   HD13  LEU 126          HD13      LEU 126   0.138   9.112   4.681
  142   HD21  LEU 126          HD21      LEU 126   2.650   8.338   4.689
  143   HD22  LEU 126          HD22      LEU 126   2.734   8.914   3.025
  144   HD23  LEU 126          HD23      LEU 126   3.167   7.247   3.403
  145    H    THR 127           HN       THR 127  -0.275   3.931   5.477
  146    HA   THR 127           HA       THR 127   1.041   3.681   7.948
  147    HB   THR 127           HB       THR 127  -0.582   1.610   8.133
  148    HG1  THR 127           HG1      THR 127  -2.324   1.818   6.642
  149   HG21  THR 127          HG21      THR 127  -0.781   4.042   9.051
  150   HG22  THR 127          HG22      THR 127  -2.219   3.023   8.998
  151   HG23  THR 127          HG23      THR 127  -1.959   4.250   7.756
  152    H    LEU 128           HN       LEU 128   1.067   1.836   5.020
  153    HA   LEU 128           HA       LEU 128   2.490  -0.389   6.211
  154    HB2  LEU 128           HB2      LEU 128   1.583   0.130   3.400
  155    HB3  LEU 128           HB1      LEU 128   2.460  -1.296   3.889
  156    HG   LEU 128           HG       LEU 128  -0.253  -0.474   4.912
  157   HD11  LEU 128          HD11      LEU 128  -1.110  -2.349   3.681
  158   HD12  LEU 128          HD12      LEU 128   0.510  -2.777   3.136
  159   HD13  LEU 128          HD13      LEU 128  -0.240  -1.288   2.572
  160   HD21  LEU 128          HD21      LEU 128   0.883  -1.578   6.645
  161   HD22  LEU 128          HD22      LEU 128   1.587  -2.743   5.506
  162   HD23  LEU 128          HD23      LEU 128  -0.143  -2.803   5.878
  163    H    CYS 129           HN       CYS 129   3.405   2.561   5.382
  164    HA   CYS 129           HA       CYS 129   5.440   2.728   3.727
  165    HB2  CYS 129           HB2      CYS 129   5.150   4.676   4.846
  166    HB3  CYS 129           HB1      CYS 129   5.025   3.888   6.412
  167    HA   PRO 130           HA       PRO 130   9.001   0.852   6.220
  168    HB2  PRO 130           HB2      PRO 130   8.713   0.005   8.756
  169    HB3  PRO 130           HB1      PRO 130   8.957   1.708   8.359
  170    HG2  PRO 130           HG2      PRO 130   6.418   0.265   9.014
  171    HG3  PRO 130           HG1      PRO 130   6.980   1.850   9.573
  172    HD2  PRO 130           HD2      PRO 130   5.184   1.516   7.534
  173    HD3  PRO 130           HD1      PRO 130   6.267   2.909   7.666
  174    H    TYR 131           HN       TYR 131   8.551  -1.379   8.377
  175    HA   TYR 131           HA       TYR 131   8.295  -3.630   8.451
  176    HB2  TYR 131           HB2      TYR 131   6.383  -3.519   6.140
  177    HB3  TYR 131           HB1      TYR 131   6.389  -4.603   7.523
  178    HD1  TYR 131           HD1      TYR 131   5.496  -3.862   9.688
  179    HD2  TYR 131           HD2      TYR 131   5.426  -1.339   6.271
  180    HE1  TYR 131           HE1      TYR 131   3.890  -2.381  10.822
  181    HE2  TYR 131           HE2      TYR 131   3.840   0.160   7.378
  182    HH   TYR 131           HH       TYR 131   2.104  -0.053   9.240
  183    H    GLY 132           HN       GLY 132   9.692  -2.089   5.945
  184    HA2  GLY 132           HA2      GLY 132  11.176  -4.360   5.136
  185    HA3  GLY 132           HA1      GLY 132   9.954  -3.990   3.931
  186    H2   PRO  25           HT1      PRO  25  -9.730  15.524   2.453
  187    H3   PRO  25           HT2      PRO  25 -11.277  15.094   2.739
  188    HA   PRO  25           HA       PRO  25 -12.075  16.045   0.999
  189    HB2  PRO  25           HB2      PRO  25 -10.341  18.211   0.355
  190    HB3  PRO  25           HB1      PRO  25 -12.003  18.286   0.954
  191    HG2  PRO  25           HG2      PRO  25  -9.451  18.466   2.445
  192    HG3  PRO  25           HG1      PRO  25 -11.032  19.169   2.827
  193    HD2  PRO  25           HD2      PRO  25 -10.093  17.091   4.216
  194    HD3  PRO  25           HD1      PRO  25 -11.814  17.195   3.799
  195    H    THR  26           HN       THR  26  -8.846  15.185   1.526
  196    HA   THR  26           HA       THR  26  -7.838  15.323  -1.117
  197    HB   THR  26           HB       THR  26  -6.096  13.759  -0.341
  198    HG1  THR  26           HG1      THR  26  -6.418  12.553   1.373
  199   HG21  THR  26          HG21      THR  26  -5.877  16.151   0.155
  200   HG22  THR  26          HG22      THR  26  -5.167  15.163   1.433
  201   HG23  THR  26          HG23      THR  26  -6.744  15.915   1.672
  202    HA   PRO  27           HA       PRO  27 -10.075  11.844  -2.800
  203    HB2  PRO  27           HB2      PRO  27  -8.816  11.658  -5.174
  204    HB3  PRO  27           HB1      PRO  27  -9.936  12.977  -4.806
  205    HG2  PRO  27           HG2      PRO  27  -6.942  12.958  -4.739
  206    HG3  PRO  27           HG1      PRO  27  -8.039  14.196  -5.377
  207    HD2  PRO  27           HD2      PRO  27  -6.851  14.371  -2.930
  208    HD3  PRO  27           HD1      PRO  27  -8.424  15.102  -3.303
  209    H    GLU  28           HN       GLU  28  -9.844   9.700  -2.602
  210    HA   GLU  28           HA       GLU  28  -7.133   8.560  -2.691
  211    HB2  GLU  28           HB2      GLU  28  -7.961   6.954  -0.883
  212    HB3  GLU  28           HB1      GLU  28  -7.575   8.592  -0.384
  213    HG2  GLU  28           HG2      GLU  28  -9.972   9.155  -0.482
  214    HG3  GLU  28           HG1      GLU  28 -10.323   7.478  -0.897
  215    H    MET  29           HN       MET  29  -7.036   6.298  -3.198
  216    HA   MET  29           HA       MET  29  -9.416   5.022  -4.252
  217    HB2  MET  29           HB2      MET  29  -8.583   6.423  -6.132
  218    HB3  MET  29           HB1      MET  29  -7.045   5.578  -6.048
  219    HG2  MET  29           HG2      MET  29  -8.150   3.483  -6.611
  220    HG3  MET  29           HG1      MET  29  -9.703   4.314  -6.671
  221    HE1  MET  29           HE1      MET  29 -10.203   3.423  -9.091
  222    HE2  MET  29           HE2      MET  29  -8.683   2.528  -9.082
  223    HE3  MET  29           HE3      MET  29  -9.085   3.569 -10.448
  224    H    ARG  30           HN       ARG  30  -9.255   3.181  -3.131
  225    HA   ARG  30           HA       ARG  30  -6.927   1.997  -2.172
  226    HB2  ARG  30           HB2      ARG  30  -9.702   1.026  -2.652
  227    HB3  ARG  30           HB1      ARG  30  -8.464  -0.147  -2.241
  228    HG2  ARG  30           HG2      ARG  30  -9.267   0.335  -0.172
  229    HG3  ARG  30           HG1      ARG  30  -7.997   1.553  -0.289
  230    HD2  ARG  30           HD2      ARG  30  -9.768   3.113  -1.198
  231    HD3  ARG  30           HD1      ARG  30 -10.955   1.905  -0.715
  232    HE   ARG  30           HE       ARG  30  -9.299   2.500   1.476
  233   HH11  ARG  30          HH11      ARG  30 -11.800   3.942  -0.475
  234   HH12  ARG  30          HH12      ARG  30 -12.383   4.963   0.797
  235   HH21  ARG  30          HH21      ARG  30 -10.058   3.840   3.157
  236   HH22  ARG  30          HH22      ARG  30 -11.392   4.905   2.862
  237    H    GLU  31           HN       GLU  31  -5.341   1.862  -3.783
  238    HA   GLU  31           HA       GLU  31  -5.823   0.453  -6.229
  239    HB2  GLU  31           HB2      GLU  31  -3.097   0.944  -5.062
  240    HB3  GLU  31           HB1      GLU  31  -3.560   0.822  -6.752
  241    HG2  GLU  31           HG2      GLU  31  -4.715   2.946  -6.623
  242    HG3  GLU  31           HG1      GLU  31  -4.329   3.069  -4.907
  243    H    LYS  32           HN       LYS  32  -5.607  -1.673  -6.635
  244    HA   LYS  32           HA       LYS  32  -5.284  -3.479  -4.461
  245    HB2  LYS  32           HB2      LYS  32  -5.702  -3.727  -7.386
  246    HB3  LYS  32           HB1      LYS  32  -5.340  -5.142  -6.426
  247    HG2  LYS  32           HG2      LYS  32  -7.290  -4.283  -4.928
  248    HG3  LYS  32           HG1      LYS  32  -7.754  -3.403  -6.386
  249    HD2  LYS  32           HD2      LYS  32  -7.584  -5.601  -7.600
  250    HD3  LYS  32           HD1      LYS  32  -7.460  -6.372  -6.022
  251    HE2  LYS  32           HE2      LYS  32  -9.760  -6.411  -6.846
  252    HE3  LYS  32           HE1      LYS  32  -9.619  -5.440  -5.382
  253    HZ1  LYS  32           HZ1      LYS  32  -9.564  -3.450  -6.779
  254    HZ2  LYS  32           HZ2      LYS  32 -10.995  -4.325  -6.995
  255    HZ3  LYS  32           HZ3      LYS  32  -9.772  -4.405  -8.161
  256    H    LEU  33           HN       LEU  33  -3.123  -2.494  -4.027
  257    HA   LEU  33           HA       LEU  33  -0.865  -2.939  -5.618
  258    HB2  LEU  33           HB2      LEU  33  -0.885  -2.829  -2.610
  259    HB3  LEU  33           HB1      LEU  33   0.427  -2.416  -3.686
  260    HG   LEU  33           HG       LEU  33  -2.107  -0.869  -3.243
  261   HD11  LEU  33          HD11      LEU  33   0.789  -0.161  -2.844
  262   HD12  LEU  33          HD12      LEU  33  -0.360  -0.558  -1.568
  263   HD13  LEU  33          HD13      LEU  33  -0.588   0.896  -2.538
  264   HD21  LEU  33          HD21      LEU  33  -1.634  -0.834  -5.606
  265   HD22  LEU  33          HD22      LEU  33   0.034  -0.405  -5.272
  266   HD23  LEU  33          HD23      LEU  33  -1.248   0.730  -4.886
  267    H    CYS  34           HN       CYS  34  -0.827  -5.004  -6.424
  268    HA   CYS  34           HA       CYS  34  -0.652  -7.218  -4.517
  269    HB2  CYS  34           HB2      CYS  34  -1.094  -7.186  -7.505
  270    HB3  CYS  34           HB1      CYS  34  -0.972  -8.642  -6.530
  271    H    GLY  35           HN       GLY  35   1.359  -7.654  -3.882
  272    HA2  GLY  35           HA2      GLY  35   3.612  -8.076  -3.934
  273    HA3  GLY  35           HA1      GLY  35   3.325  -8.657  -5.565
  274    H    HIS  36           HN       HIS  36   4.155  -7.556  -7.226
  275    HA   HIS  36           HA       HIS  36   6.129  -5.655  -6.910
  276    HB2  HIS  36           HB2      HIS  36   5.917  -6.962  -8.939
  277    HB3  HIS  36           HB1      HIS  36   4.392  -6.175  -9.316
  278    HD1  HIS  36           HD1      HIS  36   4.563  -4.199 -10.848
  279    HD2  HIS  36           HD2      HIS  36   8.156  -5.048  -8.942
  280    HE1  HIS  36           HE1      HIS  36   6.277  -2.616 -11.825
  281    H    HIS  37           HN       HIS  37   2.708  -5.123  -7.724
  282    HA   HIS  37           HA       HIS  37   2.826  -2.371  -8.134
  283    HB2  HIS  37           HB2      HIS  37   0.541  -3.931  -6.914
  284    HB3  HIS  37           HB1      HIS  37   0.429  -2.333  -7.638
  285    HD1  HIS  37           HD1      HIS  37  -0.314  -5.683  -8.471
  286    HD2  HIS  37           HD2      HIS  37   1.491  -2.534 -10.493
  287    HE1  HIS  37           HE1      HIS  37  -0.492  -6.226 -10.935
  288    H    PHE  38           HN       PHE  38   2.477  -4.203  -5.123
  289    HA   PHE  38           HA       PHE  38   2.130  -1.866  -3.520
  290    HB2  PHE  38           HB2      PHE  38   1.320  -4.120  -2.823
  291    HB3  PHE  38           HB1      PHE  38   2.993  -4.624  -2.619
  292    HD1  PHE  38           HD1      PHE  38   2.251  -1.199  -1.718
  293    HD2  PHE  38           HD2      PHE  38   2.325  -5.196  -0.259
  294    HE1  PHE  38           HE1      PHE  38   2.249  -0.382   0.592
  295    HE2  PHE  38           HE2      PHE  38   2.338  -4.375   2.030
  296    HZ   PHE  38           HZ       PHE  38   2.300  -1.968   2.454
  297    H    VAL  39           HN       VAL  39   4.869  -3.884  -4.427
  298    HA   VAL  39           HA       VAL  39   6.780  -2.801  -2.706
  299    HB   VAL  39           HB       VAL  39   7.024  -4.027  -5.448
  300   HG11  VAL  39          HG11      VAL  39   9.453  -4.128  -5.088
  301   HG12  VAL  39          HG12      VAL  39   9.271  -3.129  -3.645
  302   HG13  VAL  39          HG13      VAL  39   8.875  -2.469  -5.232
  303   HG21  VAL  39          HG21      VAL  39   6.381  -5.530  -3.664
  304   HG22  VAL  39          HG22      VAL  39   7.735  -4.978  -2.676
  305   HG23  VAL  39          HG23      VAL  39   8.037  -5.874  -4.166
  306    H    ARG  40           HN       ARG  40   5.682  -1.728  -5.895
  307    HA   ARG  40           HA       ARG  40   7.531   0.435  -6.105
  308    HB2  ARG  40           HB2      ARG  40   6.194  -0.787  -7.955
  309    HB3  ARG  40           HB1      ARG  40   4.879   0.286  -7.515
  310    HG2  ARG  40           HG2      ARG  40   6.454   2.197  -7.895
  311    HG3  ARG  40           HG1      ARG  40   7.574   1.034  -8.602
  312    HD2  ARG  40           HD2      ARG  40   5.857   0.403 -10.241
  313    HD3  ARG  40           HD1      ARG  40   4.762   1.594  -9.543
  314    HE   ARG  40           HE       ARG  40   7.262   2.717 -10.384
  315   HH11  ARG  40          HH11      ARG  40   4.080   1.759 -11.429
  316   HH12  ARG  40          HH12      ARG  40   4.057   2.842 -12.781
  317   HH21  ARG  40          HH21      ARG  40   7.241   4.146 -12.160
  318   HH22  ARG  40          HH22      ARG  40   5.855   4.199 -13.196
  319    H    ALA  41           HN       ALA  41   4.016   0.328  -5.574
  320    HA   ALA  41           HA       ALA  41   3.536   2.982  -5.057
  321    HB1  ALA  41           HB1      ALA  41   1.480   2.350  -4.309
  322    HB2  ALA  41           HB2      ALA  41   2.115   1.024  -3.332
  323    HB3  ALA  41           HB3      ALA  41   1.965   0.842  -5.085
  324    H    LEU  42           HN       LEU  42   4.931   0.571  -2.944
  325    HA   LEU  42           HA       LEU  42   4.757   2.157  -0.604
  326    HB2  LEU  42           HB2      LEU  42   4.733  -0.334  -0.709
  327    HB3  LEU  42           HB1      LEU  42   6.403  -0.284  -1.195
  328    HG   LEU  42           HG       LEU  42   7.150   0.022   0.818
  329   HD11  LEU  42          HD11      LEU  42   5.589   1.198   2.595
  330   HD12  LEU  42          HD12      LEU  42   4.875   1.817   1.115
  331   HD13  LEU  42          HD13      LEU  42   6.570   2.124   1.453
  332   HD21  LEU  42          HD21      LEU  42   5.709  -1.940   0.967
  333   HD22  LEU  42          HD22      LEU  42   4.386  -0.900   1.486
  334   HD23  LEU  42          HD23      LEU  42   5.799  -1.099   2.517
  335    H    VAL  43           HN       VAL  43   7.110   1.526  -3.109
  336    HA   VAL  43           HA       VAL  43   9.321   2.784  -1.856
  337    HB   VAL  43           HB       VAL  43   8.671   1.944  -4.672
  338   HG11  VAL  43          HG11      VAL  43  11.083   2.568  -5.190
  339   HG12  VAL  43          HG12      VAL  43  10.986   3.603  -3.766
  340   HG13  VAL  43          HG13      VAL  43   9.904   3.879  -5.130
  341   HG21  VAL  43          HG21      VAL  43  10.921   1.142  -2.841
  342   HG22  VAL  43          HG22      VAL  43  10.440   0.370  -4.353
  343   HG23  VAL  43          HG23      VAL  43   9.379   0.292  -2.946
  344    H    ARG  44           HN       ARG  44   6.489   3.876  -3.369
  345    HA   ARG  44           HA       ARG  44   7.462   6.418  -4.280
  346    HB2  ARG  44           HB2      ARG  44   5.612   5.378  -5.423
  347    HB3  ARG  44           HB1      ARG  44   4.694   5.329  -3.928
  348    HG2  ARG  44           HG2      ARG  44   4.722   7.807  -3.888
  349    HG3  ARG  44           HG1      ARG  44   5.492   7.777  -5.470
  350    HD2  ARG  44           HD2      ARG  44   3.165   8.106  -5.830
  351    HD3  ARG  44           HD1      ARG  44   3.540   6.448  -6.300
  352    HE   ARG  44           HE       ARG  44   2.623   6.733  -3.583
  353   HH11  ARG  44          HH11      ARG  44   1.692   6.252  -6.906
  354   HH12  ARG  44          HH12      ARG  44   0.173   5.520  -6.509
  355   HH21  ARG  44          HH21      ARG  44   0.625   5.776  -3.050
  356   HH22  ARG  44          HH22      ARG  44  -0.434   5.251  -4.316
  357    H    VAL  45           HN       VAL  45   4.965   5.606  -1.873
  358    HA   VAL  45           HA       VAL  45   5.119   8.209  -0.701
  359    HB   VAL  45           HB       VAL  45   3.284   7.671   0.537
  360   HG11  VAL  45          HG11      VAL  45   2.765   7.160  -1.797
  361   HG12  VAL  45          HG12      VAL  45   1.825   6.156  -0.677
  362   HG13  VAL  45          HG13      VAL  45   3.220   5.473  -1.521
  363   HG21  VAL  45          HG21      VAL  45   4.357   4.867   0.764
  364   HG22  VAL  45          HG22      VAL  45   2.769   5.358   1.353
  365   HG23  VAL  45          HG23      VAL  45   4.226   6.082   2.037
  366    H    CYS  46           HN       CYS  46   6.468   5.068   0.092
  367    HA   CYS  46           HA       CYS  46   8.001   6.396   2.209
  368    HB2  CYS  46           HB2      CYS  46   6.297   5.111   3.345
  369    HB3  CYS  46           HB1      CYS  46   6.692   3.676   2.408
  370    H    GLY  47           HN       GLY  47   9.297   6.407   0.035
  371    HA2  GLY  47           HA2      GLY  47  10.617   4.074  -0.816
  372    HA3  GLY  47           HA1      GLY  47  11.224   5.713  -1.016
  373    H    GLY  48           HN       GLY  48  11.084   2.967   1.184
  374    HA2  GLY  48           HA2      GLY  48  12.827   4.019   3.160
  375    HA3  GLY  48           HA1      GLY  48  12.401   2.333   2.946
  376    HA   PRO  49           HA       PRO  49  16.850   2.891   1.720
  377    HB2  PRO  49           HB2      PRO  49  17.674   1.337   3.991
  378    HB3  PRO  49           HB1      PRO  49  17.974   3.046   3.675
  379    HG2  PRO  49           HG2      PRO  49  16.372   2.114   5.705
  380    HG3  PRO  49           HG1      PRO  49  16.218   3.721   4.971
  381    HD2  PRO  49           HD2      PRO  49  14.646   1.229   4.420
  382    HD3  PRO  49           HD1      PRO  49  14.066   2.899   4.592
  383    H    LYS  50           HN       LYS  50  14.857   0.209   2.659
  384    HA   LYS  50           HA       LYS  50  16.627  -1.856   1.790
  385    HB2  LYS  50           HB2      LYS  50  13.643  -1.877   2.271
  386    HB3  LYS  50           HB1      LYS  50  14.589  -3.306   1.894
  387    HG2  LYS  50           HG2      LYS  50  14.290  -3.319   4.221
  388    HG3  LYS  50           HG1      LYS  50  15.952  -2.793   3.955
  389    HD2  LYS  50           HD2      LYS  50  14.852  -1.455   5.686
  390    HD3  LYS  50           HD1      LYS  50  15.288  -0.475   4.286
  391    HE2  LYS  50           HE2      LYS  50  13.044   0.081   5.122
  392    HE3  LYS  50           HE1      LYS  50  12.994  -0.564   3.482
  393    HZ1  LYS  50           HZ       LYS  50  12.191  -2.030   5.906
  394    H    TRP  51           HN       TRP  51  13.395  -1.307   0.482
  395    HA   TRP  51           HA       TRP  51  13.856  -2.350  -2.042
  396    HB2  TRP  51           HB2      TRP  51  11.880  -0.527  -2.534
  397    HB3  TRP  51           HB1      TRP  51  11.611  -2.117  -1.830
  398    HD1  TRP  51           HD1      TRP  51  12.814   1.208  -0.206
  399    HE1  TRP  51           HE1      TRP  51  11.369   1.629   1.878
  400    HE3  TRP  51           HE3      TRP  51   9.609  -2.756  -0.582
  401    HZ2  TRP  51           HZ2      TRP  51   9.192   0.450   3.189
  402    HZ3  TRP  51           HZ3      TRP  51   7.888  -3.047   1.130
  403    HH2  TRP  51           HH2      TRP  51   7.657  -1.465   2.965
  Start of MODEL   13
    1    H1   ALA 106           HT1      ALA 106 -11.359 -14.430   7.787
    2    H2   ALA 106           HT2      ALA 106 -10.087 -13.770   8.686
    3    H3   ALA 106           HT3      ALA 106  -9.763 -14.890   7.461
    4    HA   ALA 106           HA       ALA 106 -10.545 -13.363   5.788
    5    HB1  ALA 106           HB1      ALA 106 -10.918 -11.446   8.086
    6    HB2  ALA 106           HB2      ALA 106 -12.213 -12.231   7.182
    7    HB3  ALA 106           HB3      ALA 106 -11.145 -11.080   6.376
    8    H    ALA 107           HN       ALA 107  -9.302 -11.281   5.153
    9    HA   ALA 107           HA       ALA 107  -6.583 -11.472   6.276
   10    HB1  ALA 107           HB1      ALA 107  -5.719 -10.935   4.061
   11    HB2  ALA 107           HB2      ALA 107  -7.364 -10.847   3.429
   12    HB3  ALA 107           HB3      ALA 107  -6.722 -12.385   4.009
   13    H    ALA 108           HN       ALA 108  -8.052  -9.774   7.617
   14    HA   ALA 108           HA       ALA 108  -7.769  -7.112   6.431
   15    HB1  ALA 108           HB1      ALA 108  -9.174  -6.328   8.250
   16    HB2  ALA 108           HB2      ALA 108  -9.138  -7.928   8.992
   17    HB3  ALA 108           HB3      ALA 108  -9.934  -7.698   7.436
   18    H    THR 109           HN       THR 109  -7.130  -5.370   8.107
   19    HA   THR 109           HA       THR 109  -5.386  -4.398   9.180
   20    HB   THR 109           HB       THR 109  -5.011  -5.135  11.354
   21    HG1  THR 109           HG1      THR 109  -4.249  -7.159  11.278
   22   HG21  THR 109          HG21      THR 109  -7.669  -6.291  10.523
   23   HG22  THR 109          HG22      THR 109  -7.358  -4.626  11.014
   24   HG23  THR 109          HG23      THR 109  -7.193  -5.936  12.183
   25    H    ASN 110           HN       ASN 110  -4.701  -6.136   6.940
   26    HA   ASN 110           HA       ASN 110  -1.936  -6.808   7.710
   27    HB2  ASN 110           HB2      ASN 110  -3.831  -8.271   5.876
   28    HB3  ASN 110           HB1      ASN 110  -2.088  -8.491   5.770
   29   HD21  ASN 110          HD21      ASN 110  -2.256 -10.655   6.346
   30   HD22  ASN 110          HD22      ASN 110  -2.593 -11.150   7.967
   31    HA   PRO 111           HA       PRO 111  -0.630  -4.220   4.369
   32    HB2  PRO 111           HB2      PRO 111   1.446  -6.107   3.521
   33    HB3  PRO 111           HB1      PRO 111   1.625  -4.559   4.338
   34    HG2  PRO 111           HG2      PRO 111   2.147  -6.896   5.566
   35    HG3  PRO 111           HG1      PRO 111   1.476  -5.502   6.436
   36    HD2  PRO 111           HD2      PRO 111   0.048  -7.914   5.350
   37    HD3  PRO 111           HD1      PRO 111  -0.113  -7.136   6.938
   38    H    ALA 112           HN       ALA 112   0.922  -6.149   2.257
   39    HA   ALA 112           HA       ALA 112  -0.779  -5.753   0.119
   40    HB1  ALA 112           HB1      ALA 112   1.240  -7.968   0.422
   41    HB2  ALA 112           HB2      ALA 112   1.600  -6.310  -0.058
   42    HB3  ALA 112           HB3      ALA 112   0.597  -7.329  -1.091
   43    H    ARG 113           HN       ARG 113  -0.662  -8.463   2.377
   44    HA   ARG 113           HA       ARG 113  -2.290 -10.261   1.001
   45    HB2  ARG 113           HB2      ARG 113  -1.971  -9.766   3.965
   46    HB3  ARG 113           HB1      ARG 113  -2.827 -11.135   3.286
   47    HG2  ARG 113           HG2      ARG 113   0.070 -10.523   2.770
   48    HG3  ARG 113           HG1      ARG 113  -0.515 -11.651   3.995
   49    HD2  ARG 113           HD2      ARG 113  -1.509 -13.047   2.303
   50    HD3  ARG 113           HD1      ARG 113  -1.109 -11.876   1.047
   51    HE   ARG 113           HE       ARG 113   1.306 -12.398   1.876
   52   HH11  ARG 113          HH11      ARG 113  -1.334 -14.646   1.511
   53   HH12  ARG 113          HH12      ARG 113  -0.305 -16.000   1.185
   54   HH21  ARG 113          HH21      ARG 113   2.668 -14.178   1.448
   55   HH22  ARG 113          HH22      ARG 113   1.968 -15.735   1.149
   56    H    TYR 114           HN       TYR 114  -2.971  -7.293   2.481
   57    HA   TYR 114           HA       TYR 114  -5.858  -7.766   2.572
   58    HB2  TYR 114           HB2      TYR 114  -5.175  -6.788   4.584
   59    HB3  TYR 114           HB1      TYR 114  -4.017  -5.722   3.788
   60    HD1  TYR 114           HD1      TYR 114  -7.590  -6.319   4.460
   61    HD2  TYR 114           HD2      TYR 114  -4.675  -3.553   3.067
   62    HE1  TYR 114           HE1      TYR 114  -9.259  -4.533   4.542
   63    HE2  TYR 114           HE2      TYR 114  -6.345  -1.752   3.142
   64    HH   TYR 114           HH       TYR 114  -9.378  -2.115   4.682
   65    H    CYS 115           HN       CYS 115  -3.404  -5.802   1.001
   66    HA   CYS 115           HA       CYS 115  -5.276  -4.083  -0.327
   67    HB2  CYS 115           HB2      CYS 115  -2.788  -3.631   0.296
   68    HB3  CYS 115           HB1      CYS 115  -2.436  -4.464  -1.213
   69    H    CYS 116           HN       CYS 116  -3.041  -6.595  -1.519
   70    HA   CYS 116           HA       CYS 116  -3.853  -6.597  -4.172
   71    HB2  CYS 116           HB2      CYS 116  -1.845  -7.757  -3.217
   72    HB3  CYS 116           HB1      CYS 116  -2.921  -9.020  -2.630
   73    H    LEU 117           HN       LEU 117  -5.660  -7.588  -1.476
   74    HA   LEU 117           HA       LEU 117  -7.350  -9.332  -3.122
   75    HB2  LEU 117           HB2      LEU 117  -7.073  -9.037  -0.157
   76    HB3  LEU 117           HB1      LEU 117  -8.407  -9.907  -0.882
   77    HG   LEU 117           HG       LEU 117  -5.482 -10.608  -1.174
   78   HD11  LEU 117          HD11      LEU 117  -6.390 -11.041   1.067
   79   HD12  LEU 117          HD12      LEU 117  -6.007 -12.531   0.204
   80   HD13  LEU 117          HD13      LEU 117  -7.683 -11.999   0.346
   81   HD21  LEU 117          HD21      LEU 117  -6.283 -12.630  -2.277
   82   HD22  LEU 117          HD22      LEU 117  -6.781 -11.189  -3.164
   83   HD23  LEU 117          HD23      LEU 117  -7.944 -12.050  -2.155
   84    H    SER 118           HN       SER 118  -7.332  -6.312  -1.393
   85    HA   SER 118           HA       SER 118 -10.065  -5.832  -2.360
   86    HB2  SER 118           HB2      SER 118 -10.230  -6.307   0.033
   87    HB3  SER 118           HB1      SER 118  -9.014  -5.078   0.377
   88    HG   SER 118           HG       SER 118 -10.840  -3.876  -1.047
   89    H    GLY 119           HN       GLY 119  -7.250  -4.205  -0.885
   90    HA2  GLY 119           HA2      GLY 119  -6.272  -2.592  -2.672
   91    HA3  GLY 119           HA1      GLY 119  -7.845  -1.838  -2.523
   92    H    CYS 120           HN       CYS 120  -5.551  -0.425  -2.039
   93    HA   CYS 120           HA       CYS 120  -6.038   0.486   0.632
   94    HB2  CYS 120           HB2      CYS 120  -3.734   0.209   1.451
   95    HB3  CYS 120           HB1      CYS 120  -4.493  -1.344   1.126
   96    H    THR 121           HN       THR 121  -6.098   2.592   0.395
   97    HA   THR 121           HA       THR 121  -5.104   3.966  -1.849
   98    HB   THR 121           HB       THR 121  -5.960   5.922  -0.900
   99    HG1  THR 121           HG1      THR 121  -5.550   6.415   1.118
  100   HG21  THR 121          HG21      THR 121  -7.697   4.172  -1.208
  101   HG22  THR 121          HG22      THR 121  -8.101   5.318   0.070
  102   HG23  THR 121          HG23      THR 121  -7.494   3.717   0.483
  103    H    GLN 122           HN       GLN 122  -3.700   6.001  -1.553
  104    HA   GLN 122           HA       GLN 122  -1.068   5.257  -1.031
  105    HB2  GLN 122           HB2      GLN 122  -1.921   7.243  -2.381
  106    HB3  GLN 122           HB1      GLN 122  -2.098   8.088  -0.850
  107    HG2  GLN 122           HG2      GLN 122   0.323   7.664  -0.430
  108    HG3  GLN 122           HG1      GLN 122   0.434   7.043  -2.074
  109   HE21  GLN 122          HE21      GLN 122   0.140   9.832  -0.078
  110   HE22  GLN 122          HE22      GLN 122   0.334  11.012  -1.325
  111    H    GLN 123           HN       GLN 123  -3.502   6.516   1.111
  112    HA   GLN 123           HA       GLN 123  -1.680   7.205   3.215
  113    HB2  GLN 123           HB2      GLN 123  -4.672   6.742   3.281
  114    HB3  GLN 123           HB1      GLN 123  -3.724   7.421   4.597
  115    HG2  GLN 123           HG2      GLN 123  -4.050   8.640   1.865
  116    HG3  GLN 123           HG1      GLN 123  -4.904   9.139   3.324
  117   HE21  GLN 123          HE21      GLN 123  -3.792  10.249   4.929
  118   HE22  GLN 123          HE22      GLN 123  -2.252  10.980   4.646
  119    H    ASP 124           HN       ASP 124  -3.828   4.459   2.536
  120    HA   ASP 124           HA       ASP 124  -3.243   3.029   4.898
  121    HB2  ASP 124           HB2      ASP 124  -4.164   2.032   2.193
  122    HB3  ASP 124           HB1      ASP 124  -4.128   1.055   3.657
  123    H    LEU 125           HN       LEU 125  -1.491   3.602   2.024
  124    HA   LEU 125           HA       LEU 125   0.325   1.398   2.317
  125    HB2  LEU 125           HB2      LEU 125   0.116   1.822   0.114
  126    HB3  LEU 125           HB1      LEU 125  -0.573   3.383   0.402
  127    HG   LEU 125           HG       LEU 125   1.673   4.301   0.659
  128   HD11  LEU 125          HD11      LEU 125   3.495   2.788  -0.342
  129   HD12  LEU 125          HD12      LEU 125   2.385   1.478   0.064
  130   HD13  LEU 125          HD13      LEU 125   3.021   2.517   1.337
  131   HD21  LEU 125          HD21      LEU 125   0.462   4.344  -1.471
  132   HD22  LEU 125          HD22      LEU 125   1.221   2.815  -1.874
  133   HD23  LEU 125          HD23      LEU 125   2.206   4.244  -1.699
  134    H    LEU 126           HN       LEU 126   0.054   4.807   2.702
  135    HA   LEU 126           HA       LEU 126   2.620   5.596   3.327
  136    HB2  LEU 126           HB2      LEU 126   1.494   7.515   3.455
  137    HB3  LEU 126           HB1      LEU 126  -0.015   6.640   3.472
  138    HG   LEU 126           HG       LEU 126   0.432   6.399   6.020
  139   HD11  LEU 126          HD11      LEU 126   2.056   8.868   5.440
  140   HD12  LEU 126          HD12      LEU 126   2.741   7.300   5.866
  141   HD13  LEU 126          HD13      LEU 126   1.717   8.156   7.018
  142   HD21  LEU 126          HD21      LEU 126  -1.448   7.595   5.296
  143   HD22  LEU 126          HD22      LEU 126  -0.467   8.893   4.615
  144   HD23  LEU 126          HD23      LEU 126  -0.583   8.698   6.364
  145    H    THR 127           HN       THR 127   0.148   4.151   5.368
  146    HA   THR 127           HA       THR 127   1.641   4.413   7.779
  147    HB   THR 127           HB       THR 127  -0.771   4.354   7.861
  148    HG1  THR 127           HG1      THR 127  -0.742   3.255   9.700
  149   HG21  THR 127          HG21      THR 127  -1.179   2.893   5.967
  150   HG22  THR 127          HG22      THR 127  -1.989   2.271   7.405
  151   HG23  THR 127          HG23      THR 127  -0.489   1.531   6.845
  152    H    LEU 128           HN       LEU 128   1.779   2.196   5.177
  153    HA   LEU 128           HA       LEU 128   2.844   0.067   6.842
  154    HB2  LEU 128           HB2      LEU 128   2.199   0.253   3.920
  155    HB3  LEU 128           HB1      LEU 128   3.376  -0.926   4.463
  156    HG   LEU 128           HG       LEU 128   0.817  -0.838   5.942
  157   HD11  LEU 128          HD11      LEU 128   0.664  -0.761   3.233
  158   HD12  LEU 128          HD12      LEU 128  -0.518  -1.519   4.290
  159   HD13  LEU 128          HD13      LEU 128   0.738  -2.499   3.531
  160   HD21  LEU 128          HD21      LEU 128   2.683  -2.373   6.468
  161   HD22  LEU 128          HD22      LEU 128   2.498  -3.076   4.860
  162   HD23  LEU 128          HD23      LEU 128   1.190  -3.211   6.036
  163    H    CYS 129           HN       CYS 129   3.961   2.747   5.047
  164    HA   CYS 129           HA       CYS 129   6.365   2.582   4.198
  165    HB2  CYS 129           HB2      CYS 129   5.536   4.740   4.796
  166    HB3  CYS 129           HB1      CYS 129   5.638   4.366   6.512
  167    HA   PRO 130           HA       PRO 130   8.783   1.559   8.206
  168    HB2  PRO 130           HB2      PRO 130   7.425   0.840  10.441
  169    HB3  PRO 130           HB1      PRO 130   7.844   2.514  10.065
  170    HG2  PRO 130           HG2      PRO 130   5.247   1.086   9.722
  171    HG3  PRO 130           HG1      PRO 130   5.553   2.747  10.259
  172    HD2  PRO 130           HD2      PRO 130   4.761   2.090   7.730
  173    HD3  PRO 130           HD1      PRO 130   5.703   3.539   8.108
  174    H    TYR 131           HN       TYR 131   8.617  -0.170   6.429
  175    HA   TYR 131           HA       TYR 131   8.733  -2.703   7.681
  176    HB2  TYR 131           HB2      TYR 131   6.759  -3.664   7.200
  177    HB3  TYR 131           HB1      TYR 131   6.165  -2.039   6.902
  178    HD1  TYR 131           HD1      TYR 131   7.474  -5.095   5.283
  179    HD2  TYR 131           HD2      TYR 131   5.572  -1.335   4.701
  180    HE1  TYR 131           HE1      TYR 131   6.938  -5.727   2.967
  181    HE2  TYR 131           HE2      TYR 131   5.037  -1.953   2.387
  182    HH   TYR 131           HH       TYR 131   5.819  -3.481   0.660
  183    H    GLY 132           HN       GLY 132  10.087  -3.995   6.580
  184    HA2  GLY 132           HA2      GLY 132  11.408  -4.787   4.863
  185    HA3  GLY 132           HA1      GLY 132  10.414  -3.869   3.741
  186    H2   PRO  25           HT1      PRO  25 -12.634  13.998   2.624
  187    H3   PRO  25           HT2      PRO  25 -14.024  14.848   2.726
  188    HA   PRO  25           HA       PRO  25 -13.080  16.760   2.672
  189    HB2  PRO  25           HB2      PRO  25 -10.509  16.507   3.839
  190    HB3  PRO  25           HB1      PRO  25 -11.931  17.308   4.522
  191    HG2  PRO  25           HG2      PRO  25 -10.919  14.553   4.963
  192    HG3  PRO  25           HG1      PRO  25 -11.807  15.619   6.067
  193    HD2  PRO  25           HD2      PRO  25 -13.021  13.536   4.932
  194    HD3  PRO  25           HD1      PRO  25 -13.875  15.079   5.122
  195    H    THR  26           HN       THR  26 -11.168  13.881   2.129
  196    HA   THR  26           HA       THR  26 -10.164  15.078  -0.352
  197    HB   THR  26           HB       THR  26  -7.949  14.031  -0.006
  198    HG1  THR  26           HG1      THR  26  -7.460  13.310   2.144
  199   HG21  THR  26          HG21      THR  26  -8.765  15.937   2.191
  200   HG22  THR  26          HG22      THR  26  -8.275  16.390   0.560
  201   HG23  THR  26          HG23      THR  26  -7.115  15.632   1.651
  202    HA   PRO  27           HA       PRO  27 -11.507  11.177  -1.995
  203    HB2  PRO  27           HB2      PRO  27 -10.306  11.260  -4.411
  204    HB3  PRO  27           HB1      PRO  27 -11.680  12.295  -4.006
  205    HG2  PRO  27           HG2      PRO  27  -8.760  12.949  -4.038
  206    HG3  PRO  27           HG1      PRO  27 -10.130  13.911  -4.627
  207    HD2  PRO  27           HD2      PRO  27  -8.917  14.345  -2.224
  208    HD3  PRO  27           HD1      PRO  27 -10.626  14.711  -2.533
  209    H    GLU  28           HN       GLU  28 -10.816   9.118  -1.897
  210    HA   GLU  28           HA       GLU  28  -7.964   8.532  -2.183
  211    HB2  GLU  28           HB2      GLU  28  -8.318   6.953  -0.129
  212    HB3  GLU  28           HB1      GLU  28  -7.936   8.646   0.122
  213    HG2  GLU  28           HG2      GLU  28 -10.329   9.110   0.452
  214    HG3  GLU  28           HG1      GLU  28 -10.669   7.391   0.257
  215    H    MET  29           HN       MET  29  -7.755   6.951  -3.603
  216    HA   MET  29           HA       MET  29  -9.927   4.995  -3.883
  217    HB2  MET  29           HB2      MET  29  -7.853   5.976  -5.841
  218    HB3  MET  29           HB1      MET  29  -8.913   4.615  -6.157
  219    HG2  MET  29           HG2      MET  29 -10.859   6.071  -5.937
  220    HG3  MET  29           HG1      MET  29  -9.795   7.438  -5.612
  221    HE1  MET  29           HE1      MET  29  -8.173   8.515  -7.387
  222    HE2  MET  29           HE2      MET  29  -7.936   7.878  -9.015
  223    HE3  MET  29           HE3      MET  29  -7.394   6.949  -7.617
  224    H    ARG  30           HN       ARG  30  -9.509   3.107  -2.950
  225    HA   ARG  30           HA       ARG  30  -6.985   2.255  -2.068
  226    HB2  ARG  30           HB2      ARG  30  -9.657   1.008  -2.360
  227    HB3  ARG  30           HB1      ARG  30  -8.297  -0.069  -2.172
  228    HG2  ARG  30           HG2      ARG  30  -8.939   0.190  -0.006
  229    HG3  ARG  30           HG1      ARG  30  -7.739   1.477  -0.147
  230    HD2  ARG  30           HD2      ARG  30  -9.713   2.942  -0.847
  231    HD3  ARG  30           HD1      ARG  30 -10.727   1.674  -0.170
  232    HE   ARG  30           HE       ARG  30  -8.657   2.671   1.589
  233   HH11  ARG  30          HH11      ARG  30 -11.972   2.922   0.550
  234   HH12  ARG  30          HH12      ARG  30 -12.507   3.689   2.008
  235   HH21  ARG  30          HH21      ARG  30  -9.351   3.679   3.513
  236   HH22  ARG  30          HH22      ARG  30 -11.016   4.121   3.691
  237    H    GLU  31           HN       GLU  31  -5.447   2.256  -3.700
  238    HA   GLU  31           HA       GLU  31  -5.876   0.925  -6.199
  239    HB2  GLU  31           HB2      GLU  31  -3.085   1.284  -5.296
  240    HB3  GLU  31           HB1      GLU  31  -3.848   1.744  -6.813
  241    HG2  GLU  31           HG2      GLU  31  -4.756   3.725  -5.843
  242    HG3  GLU  31           HG1      GLU  31  -4.234   3.231  -4.234
  243    H    LYS  32           HN       LYS  32  -5.588  -1.195  -6.670
  244    HA   LYS  32           HA       LYS  32  -5.077  -3.036  -4.582
  245    HB2  LYS  32           HB2      LYS  32  -5.501  -3.219  -7.501
  246    HB3  LYS  32           HB1      LYS  32  -4.886  -4.612  -6.650
  247    HG2  LYS  32           HG2      LYS  32  -6.909  -4.076  -5.038
  248    HG3  LYS  32           HG1      LYS  32  -7.552  -3.335  -6.506
  249    HD2  LYS  32           HD2      LYS  32  -7.089  -5.464  -7.693
  250    HD3  LYS  32           HD1      LYS  32  -6.645  -6.184  -6.149
  251    HE2  LYS  32           HE2      LYS  32  -9.329  -4.960  -6.781
  252    HE3  LYS  32           HE1      LYS  32  -8.974  -6.687  -6.811
  253    HZ1  LYS  32           HZ1      LYS  32 -10.022  -5.948  -4.729
  254    HZ2  LYS  32           HZ2      LYS  32  -8.689  -4.953  -4.419
  255    HZ3  LYS  32           HZ3      LYS  32  -8.495  -6.632  -4.475
  256    H    LEU  33           HN       LEU  33  -3.168  -3.027  -3.722
  257    HA   LEU  33           HA       LEU  33  -0.768  -2.975  -5.410
  258    HB2  LEU  33           HB2      LEU  33  -0.869  -2.451  -2.452
  259    HB3  LEU  33           HB1      LEU  33   0.425  -2.081  -3.570
  260    HG   LEU  33           HG       LEU  33  -2.248  -0.713  -3.408
  261   HD11  LEU  33          HD11      LEU  33   0.529   0.327  -2.944
  262   HD12  LEU  33          HD12      LEU  33  -0.627  -0.084  -1.682
  263   HD13  LEU  33          HD13      LEU  33  -0.972   1.239  -2.795
  264   HD21  LEU  33          HD21      LEU  33  -1.543  -0.945  -5.735
  265   HD22  LEU  33          HD22      LEU  33  -0.007  -0.207  -5.314
  266   HD23  LEU  33          HD23      LEU  33  -1.484   0.730  -5.189
  267    H    CYS  34           HN       CYS  34  -0.208  -4.999  -5.861
  268    HA   CYS  34           HA       CYS  34  -0.385  -7.078  -3.835
  269    HB2  CYS  34           HB2      CYS  34   0.306  -7.192  -6.776
  270    HB3  CYS  34           HB1      CYS  34   0.169  -8.592  -5.724
  271    H    GLY  35           HN       GLY  35   1.668  -8.763  -4.557
  272    HA2  GLY  35           HA2      GLY  35   3.784  -8.024  -3.024
  273    HA3  GLY  35           HA1      GLY  35   3.924  -9.150  -4.360
  274    H    HIS  36           HN       HIS  36   3.295  -7.071  -6.378
  275    HA   HIS  36           HA       HIS  36   5.937  -5.773  -6.348
  276    HB2  HIS  36           HB2      HIS  36   5.311  -5.469  -8.883
  277    HB3  HIS  36           HB1      HIS  36   5.914  -7.012  -8.290
  278    HD1  HIS  36           HD1      HIS  36   2.904  -5.413  -9.787
  279    HD2  HIS  36           HD2      HIS  36   3.991  -9.060  -8.124
  280    HE1  HIS  36           HE1      HIS  36   1.086  -7.053 -10.420
  281    H    HIS  37           HN       HIS  37   2.586  -5.064  -7.426
  282    HA   HIS  37           HA       HIS  37   2.946  -2.361  -7.934
  283    HB2  HIS  37           HB2      HIS  37   0.472  -3.683  -6.812
  284    HB3  HIS  37           HB1      HIS  37   0.529  -2.093  -7.556
  285    HD1  HIS  37           HD1      HIS  37   2.215  -2.794 -10.073
  286    HD2  HIS  37           HD2      HIS  37  -0.971  -5.034  -8.632
  287    HE1  HIS  37           HE1      HIS  37   1.333  -4.116 -12.040
  288    H    PHE  38           HN       PHE  38   2.570  -4.015  -4.872
  289    HA   PHE  38           HA       PHE  38   2.117  -1.602  -3.397
  290    HB2  PHE  38           HB2      PHE  38   1.647  -4.183  -2.776
  291    HB3  PHE  38           HB1      PHE  38   3.188  -3.964  -1.961
  292    HD1  PHE  38           HD1      PHE  38   2.297  -0.833  -1.646
  293    HD2  PHE  38           HD2      PHE  38   0.758  -4.603  -0.438
  294    HE1  PHE  38           HE1      PHE  38   1.146   0.231   0.221
  295    HE2  PHE  38           HE2      PHE  38  -0.414  -3.542   1.411
  296    HZ   PHE  38           HZ       PHE  38  -0.234  -1.109   1.740
  297    H    VAL  39           HN       VAL  39   4.889  -3.730  -3.953
  298    HA   VAL  39           HA       VAL  39   6.763  -2.425  -2.351
  299    HB   VAL  39           HB       VAL  39   6.956  -4.079  -4.851
  300   HG11  VAL  39          HG11      VAL  39   9.401  -4.051  -4.701
  301   HG12  VAL  39          HG12      VAL  39   9.305  -2.786  -3.475
  302   HG13  VAL  39          HG13      VAL  39   8.746  -2.470  -5.117
  303   HG21  VAL  39          HG21      VAL  39   6.520  -5.191  -2.734
  304   HG22  VAL  39          HG22      VAL  39   7.966  -4.460  -2.038
  305   HG23  VAL  39          HG23      VAL  39   8.114  -5.627  -3.352
  306    H    ARG  40           HN       ARG  40   5.450  -1.596  -5.463
  307    HA   ARG  40           HA       ARG  40   7.387   0.470  -6.035
  308    HB2  ARG  40           HB2      ARG  40   5.700  -0.984  -7.560
  309    HB3  ARG  40           HB1      ARG  40   4.748   0.475  -7.378
  310    HG2  ARG  40           HG2      ARG  40   6.599   1.803  -8.265
  311    HG3  ARG  40           HG1      ARG  40   7.554   0.332  -8.466
  312    HD2  ARG  40           HD2      ARG  40   6.035  -0.522 -10.092
  313    HD3  ARG  40           HD1      ARG  40   4.869   0.757  -9.761
  314    HE   ARG  40           HE       ARG  40   7.501   1.256 -10.997
  315   HH11  ARG  40          HH11      ARG  40   4.067   1.814 -10.759
  316   HH12  ARG  40          HH12      ARG  40   4.040   2.985 -12.035
  317   HH21  ARG  40          HH21      ARG  40   7.471   2.800 -12.677
  318   HH22  ARG  40          HH22      ARG  40   5.972   3.546 -13.123
  319    H    ALA  41           HN       ALA  41   3.860   0.492  -5.464
  320    HA   ALA  41           HA       ALA  41   3.502   3.192  -5.083
  321    HB1  ALA  41           HB1      ALA  41   1.463   2.692  -4.052
  322    HB2  ALA  41           HB2      ALA  41   2.076   1.202  -3.332
  323    HB3  ALA  41           HB3      ALA  41   1.764   1.282  -5.070
  324    H    LEU  42           HN       LEU  42   5.034   0.837  -3.097
  325    HA   LEU  42           HA       LEU  42   5.016   2.230  -0.639
  326    HB2  LEU  42           HB2      LEU  42   6.030  -0.188  -1.758
  327    HB3  LEU  42           HB1      LEU  42   7.337   0.606  -0.958
  328    HG   LEU  42           HG       LEU  42   6.430  -0.902   0.555
  329   HD11  LEU  42          HD11      LEU  42   5.812   0.481   2.385
  330   HD12  LEU  42          HD12      LEU  42   5.187   1.700   1.275
  331   HD13  LEU  42          HD13      LEU  42   6.924   1.422   1.381
  332   HD21  LEU  42          HD21      LEU  42   4.321  -1.301  -0.517
  333   HD22  LEU  42          HD22      LEU  42   3.794   0.308  -0.044
  334   HD23  LEU  42          HD23      LEU  42   4.081  -0.912   1.188
  335    H    VAL  43           HN       VAL  43   7.564   1.715  -3.065
  336    HA   VAL  43           HA       VAL  43   9.461   3.480  -2.073
  337    HB   VAL  43           HB       VAL  43   9.472   1.698  -4.047
  338   HG11  VAL  43          HG11      VAL  43   9.200   4.335  -5.470
  339   HG12  VAL  43          HG12      VAL  43   8.110   2.956  -5.576
  340   HG13  VAL  43          HG13      VAL  43   9.747   2.835  -6.214
  341   HG21  VAL  43          HG21      VAL  43  11.649   2.473  -4.652
  342   HG22  VAL  43          HG22      VAL  43  11.398   2.741  -2.927
  343   HG23  VAL  43          HG23      VAL  43  11.288   4.093  -4.054
  344    H    ARG  44           HN       ARG  44   6.464   4.156  -3.410
  345    HA   ARG  44           HA       ARG  44   7.144   6.690  -4.602
  346    HB2  ARG  44           HB2      ARG  44   5.387   5.367  -5.589
  347    HB3  ARG  44           HB1      ARG  44   4.511   5.360  -4.073
  348    HG2  ARG  44           HG2      ARG  44   4.315   7.841  -4.259
  349    HG3  ARG  44           HG1      ARG  44   4.997   7.704  -5.880
  350    HD2  ARG  44           HD2      ARG  44   3.162   6.309  -6.585
  351    HD3  ARG  44           HD1      ARG  44   2.514   6.272  -4.946
  352    HE   ARG  44           HE       ARG  44   2.702   8.940  -5.803
  353   HH11  ARG  44          HH11      ARG  44   0.878   6.039  -6.438
  354   HH12  ARG  44          HH12      ARG  44  -0.543   6.890  -6.941
  355   HH21  ARG  44          HH21      ARG  44   0.834  10.066  -6.462
  356   HH22  ARG  44          HH22      ARG  44  -0.568   9.178  -6.955
  357    H    VAL  45           HN       VAL  45   5.234   5.639  -1.776
  358    HA   VAL  45           HA       VAL  45   5.118   8.407  -0.875
  359    HB   VAL  45           HB       VAL  45   3.258   7.902   0.291
  360   HG11  VAL  45          HG11      VAL  45   2.827   7.141  -1.971
  361   HG12  VAL  45          HG12      VAL  45   1.926   6.169  -0.798
  362   HG13  VAL  45          HG13      VAL  45   3.391   5.520  -1.544
  363   HG21  VAL  45          HG21      VAL  45   4.480   5.223   0.886
  364   HG22  VAL  45          HG22      VAL  45   2.800   5.610   1.272
  365   HG23  VAL  45          HG23      VAL  45   4.113   6.538   2.008
  366    H    CYS  46           HN       CYS  46   6.403   5.295   0.269
  367    HA   CYS  46           HA       CYS  46   7.533   6.682   2.580
  368    HB2  CYS  46           HB2      CYS  46   6.402   4.654   3.148
  369    HB3  CYS  46           HB1      CYS  46   7.301   3.727   1.959
  370    H    GLY  47           HN       GLY  47   8.485   5.289  -0.442
  371    HA2  GLY  47           HA2      GLY  47  10.576   4.868  -1.360
  372    HA3  GLY  47           HA1      GLY  47  10.862   6.499  -0.780
  373    H    GLY  48           HN       GLY  48  10.605   3.305   0.781
  374    HA2  GLY  48           HA2      GLY  48  12.449   3.782   2.818
  375    HA3  GLY  48           HA1      GLY  48  12.010   2.195   2.213
  376    HA   PRO  49           HA       PRO  49  16.468   3.288   1.098
  377    HB2  PRO  49           HB2      PRO  49  17.391   1.436   3.130
  378    HB3  PRO  49           HB1      PRO  49  17.745   3.155   2.953
  379    HG2  PRO  49           HG2      PRO  49  16.232   2.149   4.978
  380    HG3  PRO  49           HG1      PRO  49  16.021   3.784   4.327
  381    HD2  PRO  49           HD2      PRO  49  14.445   1.300   3.761
  382    HD3  PRO  49           HD1      PRO  49  13.870   2.959   4.032
  383    H    LYS  50           HN       LYS  50  14.460   0.579   1.130
  384    HA   LYS  50           HA       LYS  50  16.517  -1.132  -0.012
  385    HB2  LYS  50           HB2      LYS  50  14.474  -2.794  -0.057
  386    HB3  LYS  50           HB1      LYS  50  15.478  -2.557   1.366
  387    HG2  LYS  50           HG2      LYS  50  13.006  -0.947   0.929
  388    HG3  LYS  50           HG1      LYS  50  12.969  -2.558   1.636
  389    HD2  LYS  50           HD2      LYS  50  14.450  -1.878   3.404
  390    HD3  LYS  50           HD1      LYS  50  14.647  -0.290   2.654
  391    HE2  LYS  50           HE2      LYS  50  13.068  -0.196   4.527
  392    HE3  LYS  50           HE1      LYS  50  12.259   0.157   3.002
  393    HZ1  LYS  50           HZ       LYS  50  10.882  -1.584   3.486
  394    H    TRP  51           HN       TRP  51  13.100  -1.140  -0.814
  395    HA   TRP  51           HA       TRP  51  13.290  -1.732  -3.468
  396    HB2  TRP  51           HB2      TRP  51  11.087  -0.198  -3.567
  397    HB3  TRP  51           HB1      TRP  51  11.100  -1.797  -2.829
  398    HD1  TRP  51           HD1      TRP  51  12.078   1.702  -1.434
  399    HE1  TRP  51           HE1      TRP  51  10.888   2.002   0.820
  400    HE3  TRP  51           HE3      TRP  51   9.483  -2.702  -1.249
  401    HZ2  TRP  51           HZ2      TRP  51   9.116   0.590   2.465
  402    HZ3  TRP  51           HZ3      TRP  51   8.072  -3.151   0.712
  403    HH2  TRP  51           HH2      TRP  51   7.890  -1.527   2.529
  Start of MODEL   14
    1    H1   ALA 106           HT1      ALA 106  -3.598 -10.303  13.744
    2    H2   ALA 106           HT2      ALA 106  -4.775 -11.122  14.640
    3    H3   ALA 106           HT3      ALA 106  -4.028  -9.748  15.284
    4    HA   ALA 106           HA       ALA 106  -6.242  -9.220  14.525
    5    HB1  ALA 106           HB1      ALA 106  -4.122  -8.022  12.746
    6    HB2  ALA 106           HB2      ALA 106  -4.459  -7.526  14.404
    7    HB3  ALA 106           HB3      ALA 106  -5.682  -7.308  13.152
    8    H    ALA 107           HN       ALA 107  -7.795 -10.165  13.403
    9    HA   ALA 107           HA       ALA 107  -7.366 -11.806  11.147
   10    HB1  ALA 107           HB1      ALA 107  -9.924 -10.579  12.170
   11    HB2  ALA 107           HB2      ALA 107  -9.255 -12.143  12.636
   12    HB3  ALA 107           HB3      ALA 107  -9.815 -11.880  10.984
   13    H    ALA 108           HN       ALA 108  -7.647 -11.472   8.984
   14    HA   ALA 108           HA       ALA 108  -7.469 -10.319   7.037
   15    HB1  ALA 108           HB1      ALA 108  -9.916 -10.297   7.557
   16    HB2  ALA 108           HB2      ALA 108  -9.363  -9.015   6.485
   17    HB3  ALA 108           HB3      ALA 108  -9.702  -8.659   8.177
   18    H    THR 109           HN       THR 109  -5.606  -9.405   8.940
   19    HA   THR 109           HA       THR 109  -5.367  -6.613   8.088
   20    HB   THR 109           HB       THR 109  -4.882  -7.645  10.883
   21    HG1  THR 109           HG1      THR 109  -6.763  -6.767  11.278
   22   HG21  THR 109          HG21      THR 109  -3.126  -6.085  10.186
   23   HG22  THR 109          HG22      THR 109  -4.159  -5.387  11.435
   24   HG23  THR 109          HG23      THR 109  -4.356  -4.897   9.750
   25    H    ASN 110           HN       ASN 110  -3.880  -7.196   6.528
   26    HA   ASN 110           HA       ASN 110  -1.184  -7.654   7.526
   27    HB2  ASN 110           HB2      ASN 110  -2.045  -9.910   6.962
   28    HB3  ASN 110           HB1      ASN 110  -2.392  -9.355   5.328
   29   HD21  ASN 110          HD21      ASN 110  -0.655  -8.855   3.942
   30   HD22  ASN 110          HD22      ASN 110   0.922  -9.504   4.219
   31    HA   PRO 111           HA       PRO 111  -0.291  -4.361   4.713
   32    HB2  PRO 111           HB2      PRO 111   2.202  -5.883   4.090
   33    HB3  PRO 111           HB1      PRO 111   2.005  -4.202   4.591
   34    HG2  PRO 111           HG2      PRO 111   2.872  -6.029   6.311
   35    HG3  PRO 111           HG1      PRO 111   1.734  -4.770   6.828
   36    HD2  PRO 111           HD2      PRO 111   1.221  -7.651   6.213
   37    HD3  PRO 111           HD1      PRO 111   0.522  -6.626   7.479
   38    H    ALA 112           HN       ALA 112   1.761  -6.305   2.848
   39    HA   ALA 112           HA       ALA 112   0.823  -5.835   0.390
   40    HB1  ALA 112           HB1      ALA 112   1.894  -8.500   1.294
   41    HB2  ALA 112           HB2      ALA 112   2.856  -7.097   0.829
   42    HB3  ALA 112           HB3      ALA 112   1.849  -7.912  -0.368
   43    H    ARG 113           HN       ARG 113  -0.362  -8.543   2.387
   44    HA   ARG 113           HA       ARG 113  -2.094  -9.656   0.528
   45    HB2  ARG 113           HB2      ARG 113  -2.158  -9.564   3.533
   46    HB3  ARG 113           HB1      ARG 113  -3.357 -10.442   2.600
   47    HG2  ARG 113           HG2      ARG 113  -1.496 -11.727   1.551
   48    HG3  ARG 113           HG1      ARG 113  -0.396 -10.939   2.684
   49    HD2  ARG 113           HD2      ARG 113  -1.138 -13.191   3.419
   50    HD3  ARG 113           HD1      ARG 113  -1.542 -11.907   4.557
   51    HE   ARG 113           HE       ARG 113  -3.826 -12.040   3.782
   52   HH11  ARG 113          HH11      ARG 113  -1.720 -14.636   2.791
   53   HH12  ARG 113          HH12      ARG 113  -3.016 -15.749   2.505
   54   HH21  ARG 113          HH21      ARG 113  -5.535 -13.497   3.407
   55   HH22  ARG 113          HH22      ARG 113  -5.184 -15.101   2.855
   56    H    TYR 114           HN       TYR 114  -2.856  -7.265   3.068
   57    HA   TYR 114           HA       TYR 114  -5.556  -6.930   2.363
   58    HB2  TYR 114           HB2      TYR 114  -4.916  -6.115   4.480
   59    HB3  TYR 114           HB1      TYR 114  -3.586  -5.176   3.814
   60    HD1  TYR 114           HD1      TYR 114  -7.167  -5.316   4.436
   61    HD2  TYR 114           HD2      TYR 114  -3.986  -3.007   2.817
   62    HE1  TYR 114           HE1      TYR 114  -8.620  -3.350   4.419
   63    HE2  TYR 114           HE2      TYR 114  -5.431  -1.025   2.789
   64    HH   TYR 114           HH       TYR 114  -8.448  -0.921   4.403
   65    H    CYS 115           HN       CYS 115  -2.707  -5.008   1.460
   66    HA   CYS 115           HA       CYS 115  -4.014  -3.128  -0.131
   67    HB2  CYS 115           HB2      CYS 115  -1.192  -4.186  -0.166
   68    HB3  CYS 115           HB1      CYS 115  -1.724  -2.900  -1.242
   69    H    CYS 116           HN       CYS 116  -3.305  -6.429  -0.756
   70    HA   CYS 116           HA       CYS 116  -3.631  -6.090  -3.637
   71    HB2  CYS 116           HB2      CYS 116  -1.865  -7.576  -3.099
   72    HB3  CYS 116           HB1      CYS 116  -2.831  -8.418  -1.893
   73    H    LEU 117           HN       LEU 117  -5.456  -6.969  -0.859
   74    HA   LEU 117           HA       LEU 117  -7.456  -8.409  -2.409
   75    HB2  LEU 117           HB2      LEU 117  -7.174  -7.842   0.519
   76    HB3  LEU 117           HB1      LEU 117  -8.594  -8.610  -0.160
   77    HG   LEU 117           HG       LEU 117  -5.797  -9.719  -0.403
   78   HD11  LEU 117          HD11      LEU 117  -8.008 -10.480   1.501
   79   HD12  LEU 117          HD12      LEU 117  -6.491  -9.689   1.931
   80   HD13  LEU 117          HD13      LEU 117  -6.479 -11.335   1.300
   81   HD21  LEU 117          HD21      LEU 117  -6.963 -11.769  -1.071
   82   HD22  LEU 117          HD22      LEU 117  -7.303 -10.436  -2.174
   83   HD23  LEU 117          HD23      LEU 117  -8.505 -10.917  -0.977
   84    H    SER 118           HN       SER 118  -8.168  -6.185   0.225
   85    HA   SER 118           HA       SER 118 -10.425  -5.142  -1.157
   86    HB2  SER 118           HB2      SER 118 -10.405  -5.348   1.283
   87    HB3  SER 118           HB1      SER 118  -9.087  -4.181   1.382
   88    HG   SER 118           HG       SER 118 -10.802  -2.920   1.660
   89    H    GLY 119           HN       GLY 119  -7.167  -4.429  -1.403
   90    HA2  GLY 119           HA2      GLY 119  -6.425  -2.866  -3.067
   91    HA3  GLY 119           HA1      GLY 119  -7.817  -1.865  -2.689
   92    H    CYS 120           HN       CYS 120  -5.653  -0.456  -2.802
   93    HA   CYS 120           HA       CYS 120  -5.251   0.417  -0.105
   94    HB2  CYS 120           HB2      CYS 120  -3.311  -1.356  -1.327
   95    HB3  CYS 120           HB1      CYS 120  -2.590   0.194  -0.910
   96    H    THR 121           HN       THR 121  -5.550   2.513  -0.373
   97    HA   THR 121           HA       THR 121  -4.836   3.909  -2.774
   98    HB   THR 121           HB       THR 121  -5.720   5.862  -1.747
   99    HG1  THR 121           HG1      THR 121  -4.898   4.598   0.596
  100   HG21  THR 121          HG21      THR 121  -7.309   3.842  -2.095
  101   HG22  THR 121          HG22      THR 121  -7.882   5.220  -1.158
  102   HG23  THR 121          HG23      THR 121  -7.330   3.763  -0.332
  103    H    GLN 122           HN       GLN 122  -3.852   6.321  -1.316
  104    HA   GLN 122           HA       GLN 122  -1.058   5.506  -1.163
  105    HB2  GLN 122           HB2      GLN 122  -1.732   7.574  -2.398
  106    HB3  GLN 122           HB1      GLN 122  -2.260   8.273  -0.873
  107    HG2  GLN 122           HG2      GLN 122   0.059   7.984  -0.017
  108    HG3  GLN 122           HG1      GLN 122   0.534   7.478  -1.635
  109   HE21  GLN 122          HE21      GLN 122   1.974   9.178  -1.813
  110   HE22  GLN 122          HE22      GLN 122   1.453  10.801  -2.075
  111    H    GLN 123           HN       GLN 123  -3.658   6.604   0.872
  112    HA   GLN 123           HA       GLN 123  -1.997   6.949   3.213
  113    HB2  GLN 123           HB2      GLN 123  -5.002   6.876   2.853
  114    HB3  GLN 123           HB1      GLN 123  -4.198   7.216   4.379
  115    HG2  GLN 123           HG2      GLN 123  -3.218   9.217   3.475
  116    HG3  GLN 123           HG1      GLN 123  -3.862   8.849   1.874
  117   HE21  GLN 123          HE21      GLN 123  -4.274  11.182   3.602
  118   HE22  GLN 123          HE22      GLN 123  -5.982  11.306   3.825
  119    H    ASP 124           HN       ASP 124  -4.174   4.522   1.881
  120    HA   ASP 124           HA       ASP 124  -4.073   2.788   4.139
  121    HB2  ASP 124           HB2      ASP 124  -4.790   2.246   1.246
  122    HB3  ASP 124           HB1      ASP 124  -4.994   1.084   2.553
  123    H    LEU 125           HN       LEU 125  -1.860   3.643   1.761
  124    HA   LEU 125           HA       LEU 125  -0.344   1.182   1.862
  125    HB2  LEU 125           HB2      LEU 125  -0.223   1.876  -0.276
  126    HB3  LEU 125           HB1      LEU 125  -0.777   3.472   0.129
  127    HG   LEU 125           HG       LEU 125   1.514   4.012   0.844
  128   HD11  LEU 125          HD11      LEU 125   3.189   2.386  -0.330
  129   HD12  LEU 125          HD12      LEU 125   1.877   1.237  -0.096
  130   HD13  LEU 125          HD13      LEU 125   2.606   2.038   1.297
  131   HD21  LEU 125          HD21      LEU 125   0.773   4.767  -1.273
  132   HD22  LEU 125          HD22      LEU 125   0.989   3.169  -1.962
  133   HD23  LEU 125          HD23      LEU 125   2.393   4.108  -1.494
  134    H    LEU 126           HN       LEU 126  -0.191   4.599   2.526
  135    HA   LEU 126           HA       LEU 126   2.302   4.877   3.659
  136    HB2  LEU 126           HB2      LEU 126  -0.320   6.203   3.992
  137    HB3  LEU 126           HB1      LEU 126   0.892   6.561   5.198
  138    HG   LEU 126           HG       LEU 126   1.318   6.934   2.234
  139   HD11  LEU 126          HD11      LEU 126   0.530   8.937   4.343
  140   HD12  LEU 126          HD12      LEU 126  -0.433   8.427   2.956
  141   HD13  LEU 126          HD13      LEU 126   1.055   9.340   2.708
  142   HD21  LEU 126          HD21      LEU 126   3.366   6.612   3.519
  143   HD22  LEU 126          HD22      LEU 126   2.876   7.889   4.633
  144   HD23  LEU 126          HD23      LEU 126   3.231   8.276   2.950
  145    H    THR 127           HN       THR 127  -0.713   3.808   5.168
  146    HA   THR 127           HA       THR 127  -0.007   3.596   7.814
  147    HB   THR 127           HB       THR 127  -1.456   1.350   7.604
  148    HG1  THR 127           HG1      THR 127  -1.483   1.306   5.347
  149   HG21  THR 127          HG21      THR 127  -1.976   3.728   8.563
  150   HG22  THR 127          HG22      THR 127  -3.304   2.629   8.192
  151   HG23  THR 127          HG23      THR 127  -2.892   3.928   7.071
  152    H    LEU 128           HN       LEU 128   1.123   1.800   5.136
  153    HA   LEU 128           HA       LEU 128   2.202  -0.308   6.839
  154    HB2  LEU 128           HB2      LEU 128   2.083  -0.054   3.842
  155    HB3  LEU 128           HB1      LEU 128   2.772  -1.417   4.697
  156    HG   LEU 128           HG       LEU 128  -0.079  -0.538   5.078
  157   HD11  LEU 128          HD11      LEU 128  -0.818  -2.144   3.546
  158   HD12  LEU 128          HD12      LEU 128   0.788  -2.841   3.375
  159   HD13  LEU 128          HD13      LEU 128   0.446  -1.250   2.704
  160   HD21  LEU 128          HD21      LEU 128   0.769  -1.794   6.883
  161   HD22  LEU 128          HD22      LEU 128   1.528  -2.952   5.771
  162   HD23  LEU 128          HD23      LEU 128  -0.236  -2.880   5.912
  163    H    CYS 129           HN       CYS 129   3.265   2.305   4.730
  164    HA   CYS 129           HA       CYS 129   5.706   2.362   4.193
  165    HB2  CYS 129           HB2      CYS 129   4.891   4.506   4.456
  166    HB3  CYS 129           HB1      CYS 129   4.439   4.239   6.134
  167    HA   PRO 130           HA       PRO 130   8.017   1.683   8.269
  168    HB2  PRO 130           HB2      PRO 130   6.864   1.848  10.654
  169    HB3  PRO 130           HB1      PRO 130   7.193   3.311   9.716
  170    HG2  PRO 130           HG2      PRO 130   4.618   1.816  10.049
  171    HG3  PRO 130           HG1      PRO 130   4.906   3.566  10.082
  172    HD2  PRO 130           HD2      PRO 130   3.995   2.169   7.874
  173    HD3  PRO 130           HD1      PRO 130   4.821   3.735   7.809
  174    H    TYR 131           HN       TYR 131   8.155  -0.503   7.544
  175    HA   TYR 131           HA       TYR 131   7.483  -2.431   9.492
  176    HB2  TYR 131           HB2      TYR 131   5.712  -3.597   8.625
  177    HB3  TYR 131           HB1      TYR 131   5.275  -1.978   8.102
  178    HD1  TYR 131           HD2      TYR 131   5.657  -1.325   5.716
  179    HD2  TYR 131           HD1      TYR 131   6.178  -5.323   7.066
  180    HE1  TYR 131           HE2      TYR 131   5.542  -2.110   3.401
  181    HE2  TYR 131           HE1      TYR 131   6.062  -6.125   4.744
  182    HH   TYR 131           HH       TYR 131   6.271  -4.051   2.070
  183    H    GLY 132           HN       GLY 132   8.309  -1.838   6.116
  184    HA2  GLY 132           HA2      GLY 132  10.434  -3.858   6.376
  185    HA3  GLY 132           HA1      GLY 132   9.362  -3.901   4.985
  186    H2   PRO  25           HT1      PRO  25 -11.419  16.935  -4.652
  187    H3   PRO  25           HT2      PRO  25 -11.979  17.854  -3.426
  188    HA   PRO  25           HA       PRO  25 -13.319  16.309  -2.962
  189    HB2  PRO  25           HB2      PRO  25 -14.975  16.260  -5.334
  190    HB3  PRO  25           HB1      PRO  25 -15.345  16.906  -3.729
  191    HG2  PRO  25           HG2      PRO  25 -14.949  18.483  -5.914
  192    HG3  PRO  25           HG1      PRO  25 -14.603  19.003  -4.255
  193    HD2  PRO  25           HD2      PRO  25 -12.709  17.979  -6.352
  194    HD3  PRO  25           HD1      PRO  25 -12.519  19.355  -5.249
  195    H    THR  26           HN       THR  26 -10.972  15.491  -4.493
  196    HA   THR  26           HA       THR  26 -11.806  13.331  -6.208
  197    HB   THR  26           HB       THR  26  -9.405  12.787  -6.356
  198    HG1  THR  26           HG1      THR  26  -9.275  14.059  -4.050
  199   HG21  THR  26          HG21      THR  26  -8.663  14.882  -7.411
  200   HG22  THR  26          HG22      THR  26 -10.018  15.728  -6.664
  201   HG23  THR  26          HG23      THR  26 -10.317  14.471  -7.864
  202    HA   PRO  27           HA       PRO  27 -12.059  10.457  -2.779
  203    HB2  PRO  27           HB2      PRO  27 -12.914   8.315  -4.125
  204    HB3  PRO  27           HB1      PRO  27 -13.955   9.726  -3.896
  205    HG2  PRO  27           HG2      PRO  27 -12.375   8.904  -6.299
  206    HG3  PRO  27           HG1      PRO  27 -14.013   9.576  -6.212
  207    HD2  PRO  27           HD2      PRO  27 -11.742  11.037  -6.802
  208    HD3  PRO  27           HD1      PRO  27 -13.248  11.725  -6.164
  209    H    GLU  28           HN       GLU  28 -10.759   8.907  -1.868
  210    HA   GLU  28           HA       GLU  28  -8.230   8.402  -3.099
  211    HB2  GLU  28           HB2      GLU  28  -9.170   6.874  -0.704
  212    HB3  GLU  28           HB1      GLU  28  -7.568   7.494  -1.071
  213    HG2  GLU  28           HG2      GLU  28  -9.952   9.103  -0.188
  214    HG3  GLU  28           HG1      GLU  28  -8.521   8.719   0.765
  215    H    MET  29           HN       MET  29  -8.663   7.244  -4.987
  216    HA   MET  29           HA       MET  29 -10.124   4.770  -4.902
  217    HB2  MET  29           HB2      MET  29  -9.445   4.563  -7.276
  218    HB3  MET  29           HB1      MET  29 -10.218   6.099  -6.917
  219    HG2  MET  29           HG2      MET  29  -8.044   7.194  -6.856
  220    HG3  MET  29           HG1      MET  29  -7.252   5.652  -7.176
  221    HE1  MET  29           HE1      MET  29  -9.295   4.359  -9.305
  222    HE2  MET  29           HE2      MET  29  -7.537   4.291  -9.426
  223    HE3  MET  29           HE3      MET  29  -8.495   4.844 -10.800
  224    H    ARG  30           HN       ARG  30  -9.334   2.903  -4.221
  225    HA   ARG  30           HA       ARG  30  -6.615   2.497  -3.576
  226    HB2  ARG  30           HB2      ARG  30  -9.042   0.769  -3.706
  227    HB3  ARG  30           HB1      ARG  30  -7.476   0.002  -3.563
  228    HG2  ARG  30           HG2      ARG  30  -7.941   0.182  -1.370
  229    HG3  ARG  30           HG1      ARG  30  -7.247   1.790  -1.602
  230    HD2  ARG  30           HD2      ARG  30  -9.609   2.526  -2.165
  231    HD3  ARG  30           HD1      ARG  30 -10.136   0.995  -1.477
  232    HE   ARG  30           HE       ARG  30  -8.428   2.648   0.198
  233   HH11  ARG  30          HH11      ARG  30 -11.659   1.614  -0.606
  234   HH12  ARG  30          HH12      ARG  30 -12.328   2.094   0.917
  235   HH21  ARG  30          HH21      ARG  30  -9.303   3.279   2.206
  236   HH22  ARG  30          HH22      ARG  30 -10.990   3.040   2.514
  237    H    GLU  31           HN       GLU  31  -5.170   0.870  -4.503
  238    HA   GLU  31           HA       GLU  31  -5.615   0.447  -7.377
  239    HB2  GLU  31           HB2      GLU  31  -2.991   1.154  -6.086
  240    HB3  GLU  31           HB1      GLU  31  -3.280   0.915  -7.799
  241    HG2  GLU  31           HG2      GLU  31  -4.738   2.864  -7.842
  242    HG3  GLU  31           HG1      GLU  31  -4.472   3.104  -6.116
  243    H    LYS  32           HN       LYS  32  -6.165  -1.458  -5.335
  244    HA   LYS  32           HA       LYS  32  -5.336  -3.400  -4.331
  245    HB2  LYS  32           HB2      LYS  32  -5.537  -3.922  -7.264
  246    HB3  LYS  32           HB1      LYS  32  -5.695  -5.092  -5.979
  247    HG2  LYS  32           HG2      LYS  32  -7.551  -3.308  -5.215
  248    HG3  LYS  32           HG1      LYS  32  -7.633  -3.150  -6.969
  249    HD2  LYS  32           HD2      LYS  32  -7.886  -5.600  -7.133
  250    HD3  LYS  32           HD1      LYS  32  -7.908  -5.694  -5.375
  251    HE2  LYS  32           HE2      LYS  32 -10.171  -5.736  -6.376
  252    HE3  LYS  32           HE1      LYS  32  -9.921  -4.381  -5.275
  253    HZ1  LYS  32           HZ1      LYS  32  -9.753  -4.233  -8.237
  254    HZ2  LYS  32           HZ2      LYS  32  -9.564  -2.937  -7.167
  255    HZ3  LYS  32           HZ3      LYS  32 -11.064  -3.709  -7.305
  256    H    LEU  33           HN       LEU  33  -3.179  -2.301  -4.001
  257    HA   LEU  33           HA       LEU  33  -0.949  -2.756  -5.617
  258    HB2  LEU  33           HB2      LEU  33  -0.906  -2.583  -2.616
  259    HB3  LEU  33           HB1      LEU  33   0.364  -2.145  -3.734
  260    HG   LEU  33           HG       LEU  33  -2.234  -0.687  -3.325
  261   HD11  LEU  33          HD11      LEU  33   0.627   0.036  -2.747
  262   HD12  LEU  33          HD12      LEU  33  -0.662  -0.235  -1.572
  263   HD13  LEU  33          HD13      LEU  33  -0.728   1.159  -2.651
  264   HD21  LEU  33          HD21      LEU  33  -1.780  -0.537  -5.634
  265   HD22  LEU  33          HD22      LEU  33  -0.069  -0.282  -5.335
  266   HD23  LEU  33          HD23      LEU  33  -1.223   0.973  -4.909
  267    H    CYS  34           HN       CYS  34  -0.982  -4.862  -6.377
  268    HA   CYS  34           HA       CYS  34  -0.348  -6.937  -4.382
  269    HB2  CYS  34           HB2      CYS  34  -2.575  -7.044  -5.747
  270    HB3  CYS  34           HB1      CYS  34  -1.535  -7.581  -7.061
  271    H    GLY  35           HN       GLY  35   1.233  -8.477  -4.929
  272    HA2  GLY  35           HA2      GLY  35   3.170  -9.242  -5.890
  273    HA3  GLY  35           HA1      GLY  35   2.566  -8.599  -7.409
  274    H    HIS  36           HN       HIS  36   3.579  -6.908  -8.278
  275    HA   HIS  36           HA       HIS  36   5.766  -5.706  -6.765
  276    HB2  HIS  36           HB2      HIS  36   6.511  -4.836  -8.947
  277    HB3  HIS  36           HB1      HIS  36   6.293  -6.582  -8.981
  278    HD1  HIS  36           HD1      HIS  36   4.227  -7.480 -10.367
  279    HD2  HIS  36           HD2      HIS  36   4.902  -3.390 -10.638
  280    HE1  HIS  36           HE1      HIS  36   2.859  -6.664 -12.331
  281    H    HIS  37           HN       HIS  37   2.575  -5.011  -7.637
  282    HA   HIS  37           HA       HIS  37   2.666  -2.250  -8.096
  283    HB2  HIS  37           HB2      HIS  37   0.469  -3.864  -6.789
  284    HB3  HIS  37           HB1      HIS  37   0.295  -2.230  -7.418
  285    HD1  HIS  37           HD1      HIS  37   1.901  -2.780 -10.114
  286    HD2  HIS  37           HD2      HIS  37  -1.213  -5.063  -8.582
  287    HE1  HIS  37           HE1      HIS  37   0.891  -4.012 -12.078
  288    H    PHE  38           HN       PHE  38   2.211  -4.049  -5.047
  289    HA   PHE  38           HA       PHE  38   2.087  -1.698  -3.462
  290    HB2  PHE  38           HB2      PHE  38   1.156  -3.862  -2.703
  291    HB3  PHE  38           HB1      PHE  38   2.786  -4.515  -2.594
  292    HD1  PHE  38           HD1      PHE  38   2.018  -1.056  -1.597
  293    HD2  PHE  38           HD2      PHE  38   2.579  -5.048  -0.241
  294    HE1  PHE  38           HE1      PHE  38   2.213  -0.266   0.716
  295    HE2  PHE  38           HE2      PHE  38   2.790  -4.255   2.054
  296    HZ   PHE  38           HZ       PHE  38   2.605  -1.858   2.536
  297    H    VAL  39           HN       VAL  39   4.682  -3.829  -4.483
  298    HA   VAL  39           HA       VAL  39   6.717  -2.888  -2.809
  299    HB   VAL  39           HB       VAL  39   6.878  -3.966  -5.630
  300   HG11  VAL  39          HG11      VAL  39   9.242  -4.404  -5.167
  301   HG12  VAL  39          HG12      VAL  39   9.091  -3.572  -3.618
  302   HG13  VAL  39          HG13      VAL  39   8.883  -2.677  -5.124
  303   HG21  VAL  39          HG21      VAL  39   5.928  -5.539  -4.056
  304   HG22  VAL  39          HG22      VAL  39   7.266  -5.268  -2.937
  305   HG23  VAL  39          HG23      VAL  39   7.560  -6.046  -4.494
  306    H    ARG  40           HN       ARG  40   5.417  -1.646  -5.827
  307    HA   ARG  40           HA       ARG  40   7.406   0.421  -6.088
  308    HB2  ARG  40           HB2      ARG  40   6.148  -0.721  -7.987
  309    HB3  ARG  40           HB1      ARG  40   4.760   0.241  -7.517
  310    HG2  ARG  40           HG2      ARG  40   6.073   2.278  -7.884
  311    HG3  ARG  40           HG1      ARG  40   7.424   1.289  -8.439
  312    HD2  ARG  40           HD2      ARG  40   4.680   1.313  -9.685
  313    HD3  ARG  40           HD1      ARG  40   6.062   2.226 -10.288
  314    HE   ARG  40           HE       ARG  40   6.296  -0.680 -10.043
  315   HH11  ARG  40          HH11      ARG  40   6.029   2.156 -12.052
  316   HH12  ARG  40          HH12      ARG  40   6.512   1.334 -13.498
  317   HH21  ARG  40          HH21      ARG  40   6.933  -1.768 -11.943
  318   HH22  ARG  40          HH22      ARG  40   7.025  -0.895 -13.435
  319    H    ALA  41           HN       ALA  41   3.874   0.484  -5.747
  320    HA   ALA  41           HA       ALA  41   3.421   3.096  -5.198
  321    HB1  ALA  41           HB1      ALA  41   1.369   2.499  -4.374
  322    HB2  ALA  41           HB2      ALA  41   2.008   1.127  -3.466
  323    HB3  ALA  41           HB3      ALA  41   1.817   1.017  -5.218
  324    H    LEU  42           HN       LEU  42   4.824   0.730  -3.030
  325    HA   LEU  42           HA       LEU  42   4.654   2.440  -0.763
  326    HB2  LEU  42           HB2      LEU  42   4.481  -0.002  -0.637
  327    HB3  LEU  42           HB1      LEU  42   6.126  -0.133  -1.191
  328    HG   LEU  42           HG       LEU  42   6.997   0.362   0.782
  329   HD11  LEU  42          HD11      LEU  42   5.638   1.755   2.489
  330   HD12  LEU  42          HD12      LEU  42   4.670   2.134   1.072
  331   HD13  LEU  42          HD13      LEU  42   6.369   2.575   1.104
  332   HD21  LEU  42          HD21      LEU  42   5.450  -1.522   1.128
  333   HD22  LEU  42          HD22      LEU  42   4.226  -0.363   1.640
  334   HD23  LEU  42          HD23      LEU  42   5.691  -0.571   2.595
  335    H    VAL  43           HN       VAL  43   7.259   1.294  -2.933
  336    HA   VAL  43           HA       VAL  43   9.333   2.700  -1.713
  337    HB   VAL  43           HB       VAL  43   9.309   0.965  -3.719
  338   HG11  VAL  43          HG11      VAL  43   9.516   3.629  -5.104
  339   HG12  VAL  43          HG12      VAL  43   8.261   2.417  -5.332
  340   HG13  VAL  43          HG13      VAL  43   9.914   2.072  -5.830
  341   HG21  VAL  43          HG21      VAL  43  11.622   1.475  -4.087
  342   HG22  VAL  43          HG22      VAL  43  11.222   1.756  -2.393
  343   HG23  VAL  43          HG23      VAL  43  11.393   3.122  -3.493
  344    H    ARG  44           HN       ARG  44   6.586   3.850  -3.156
  345    HA   ARG  44           HA       ARG  44   7.705   6.317  -4.179
  346    HB2  ARG  44           HB2      ARG  44   5.938   5.343  -5.462
  347    HB3  ARG  44           HB1      ARG  44   4.907   5.256  -4.047
  348    HG2  ARG  44           HG2      ARG  44   4.897   7.713  -3.936
  349    HG3  ARG  44           HG1      ARG  44   5.835   7.755  -5.421
  350    HD2  ARG  44           HD2      ARG  44   4.038   6.578  -6.594
  351    HD3  ARG  44           HD1      ARG  44   3.094   6.544  -5.105
  352    HE   ARG  44           HE       ARG  44   3.589   9.179  -5.462
  353   HH11  ARG  44          HH11      ARG  44   2.277   6.695  -7.526
  354   HH12  ARG  44          HH12      ARG  44   1.273   7.789  -8.418
  355   HH21  ARG  44          HH21      ARG  44   2.271  10.623  -6.633
  356   HH22  ARG  44          HH22      ARG  44   1.269  10.020  -7.910
  357    H    VAL  45           HN       VAL  45   5.204   5.468  -1.757
  358    HA   VAL  45           HA       VAL  45   5.273   8.142  -0.706
  359    HB   VAL  45           HB       VAL  45   3.464   7.600   0.633
  360   HG11  VAL  45          HG11      VAL  45   2.814   7.485  -1.676
  361   HG12  VAL  45          HG12      VAL  45   1.925   6.252  -0.752
  362   HG13  VAL  45          HG13      VAL  45   3.306   5.789  -1.764
  363   HG21  VAL  45          HG21      VAL  45   4.369   4.741   0.479
  364   HG22  VAL  45          HG22      VAL  45   2.793   5.227   1.105
  365   HG23  VAL  45          HG23      VAL  45   4.267   5.779   1.904
  366    H    CYS  46           HN       CYS  46   6.625   5.039   0.294
  367    HA   CYS  46           HA       CYS  46   7.786   6.448   2.605
  368    HB2  CYS  46           HB2      CYS  46   6.127   4.707   3.230
  369    HB3  CYS  46           HB1      CYS  46   7.143   3.496   2.477
  370    H    GLY  47           HN       GLY  47   8.505   4.855  -0.286
  371    HA2  GLY  47           HA2      GLY  47  10.471   4.036  -1.188
  372    HA3  GLY  47           HA1      GLY  47  11.229   5.273  -0.197
  373    H    GLY  48           HN       GLY  48  13.053   3.855   0.061
  374    HA2  GLY  48           HA2      GLY  48  13.546   2.702   2.369
  375    HA3  GLY  48           HA1      GLY  48  12.583   1.428   1.643
  376    HA   PRO  49           HA       PRO  49  17.001   0.926   0.280
  377    HB2  PRO  49           HB2      PRO  49  17.872  -0.975   1.948
  378    HB3  PRO  49           HB1      PRO  49  17.852   0.730   2.410
  379    HG2  PRO  49           HG2      PRO  49  16.041  -1.474   3.229
  380    HG3  PRO  49           HG1      PRO  49  16.551  -0.042   4.135
  381    HD2  PRO  49           HD2      PRO  49  14.121  -0.393   2.742
  382    HD3  PRO  49           HD1      PRO  49  14.726   1.113   3.443
  383    H    LYS  50           HN       LYS  50  14.536  -1.509   1.065
  384    HA   LYS  50           HA       LYS  50  15.786  -3.515  -0.522
  385    HB2  LYS  50           HB2      LYS  50  13.434  -4.611  -0.365
  386    HB3  LYS  50           HB1      LYS  50  14.530  -4.594   1.007
  387    HG2  LYS  50           HG2      LYS  50  12.501  -2.441   0.646
  388    HG3  LYS  50           HG1      LYS  50  12.087  -4.000   1.349
  389    HD2  LYS  50           HD2      LYS  50  13.665  -3.732   3.101
  390    HD3  LYS  50           HD1      LYS  50  14.353  -2.304   2.318
  391    HE2  LYS  50           HE2      LYS  50  13.002  -1.319   3.914
  392    HE3  LYS  50           HE1      LYS  50  11.892  -1.400   2.549
  393    HZ1  LYS  50           HZ       LYS  50  11.496  -3.744   3.891
  394    H    TRP  51           HN       TRP  51  12.488  -2.347  -0.951
  395    HA   TRP  51           HA       TRP  51  12.220  -2.933  -3.626
  396    HB2  TRP  51           HB2      TRP  51  10.644  -0.716  -3.422
  397    HB3  TRP  51           HB1      TRP  51  10.174  -2.321  -2.875
  398    HD1  TRP  51           HD1      TRP  51  12.339   0.427  -1.171
  399    HE1  TRP  51           HE1      TRP  51  11.427   0.772   1.209
  400    HE3  TRP  51           HE3      TRP  51   8.406  -2.828  -1.313
  401    HZ2  TRP  51           HZ2      TRP  51   9.333  -0.197   2.815
  402    HZ3  TRP  51           HZ3      TRP  51   6.995  -3.060   0.680
  403    HH2  TRP  51           HH2      TRP  51   7.420  -1.753   2.692
  Start of MODEL   15
    1    H1   ALA 106           HT1      ALA 106 -14.228  -8.215   1.437
    2    H2   ALA 106           HT2      ALA 106 -13.080  -7.390   0.508
    3    H3   ALA 106           HT3      ALA 106 -14.549  -7.861  -0.186
    4    HA   ALA 106           HA       ALA 106 -14.550  -5.504   0.288
    5    HB1  ALA 106           HB1      ALA 106 -16.383  -7.084   2.089
    6    HB2  ALA 106           HB2      ALA 106 -16.653  -6.738   0.380
    7    HB3  ALA 106           HB3      ALA 106 -16.635  -5.421   1.554
    8    H    ALA 107           HN       ALA 107 -13.717  -7.540   3.002
    9    HA   ALA 107           HA       ALA 107 -12.473  -5.261   4.317
   10    HB1  ALA 107           HB1      ALA 107 -14.477  -7.006   5.746
   11    HB2  ALA 107           HB2      ALA 107 -14.726  -5.325   5.275
   12    HB3  ALA 107           HB3      ALA 107 -13.501  -5.732   6.476
   13    H    ALA 108           HN       ALA 108 -10.483  -6.212   3.914
   14    HA   ALA 108           HA       ALA 108  -9.996  -8.836   5.154
   15    HB1  ALA 108           HB1      ALA 108  -7.974  -8.931   3.753
   16    HB2  ALA 108           HB2      ALA 108  -8.404  -7.371   3.054
   17    HB3  ALA 108           HB3      ALA 108  -9.448  -8.770   2.797
   18    H    THR 109           HN       THR 109  -7.445  -8.926   5.679
   19    HA   THR 109           HA       THR 109  -6.783  -6.573   7.308
   20    HB   THR 109           HB       THR 109  -5.924  -8.115   9.058
   21    HG1  THR 109           HG1      THR 109  -7.044 -10.315   8.810
   22   HG21  THR 109          HG21      THR 109  -8.133  -7.084   9.296
   23   HG22  THR 109          HG22      THR 109  -8.110  -8.704   9.995
   24   HG23  THR 109          HG23      THR 109  -8.858  -8.433   8.420
   25    H    ASN 110           HN       ASN 110  -4.412  -7.123   8.286
   26    HA   ASN 110           HA       ASN 110  -2.189  -7.278   7.870
   27    HB2  ASN 110           HB2      ASN 110  -3.101  -9.250   5.766
   28    HB3  ASN 110           HB1      ASN 110  -1.415  -8.969   6.189
   29   HD21  ASN 110          HD21      ASN 110  -1.128 -11.079   6.869
   30   HD22  ASN 110          HD22      ASN 110  -1.796 -11.672   8.348
   31    HA   PRO 111           HA       PRO 111  -1.182  -4.154   4.938
   32    HB2  PRO 111           HB2      PRO 111   1.296  -5.718   4.361
   33    HB3  PRO 111           HB1      PRO 111   1.123  -4.028   4.834
   34    HG2  PRO 111           HG2      PRO 111   1.953  -5.813   6.598
   35    HG3  PRO 111           HG1      PRO 111   0.774  -4.577   7.085
   36    HD2  PRO 111           HD2      PRO 111   0.318  -7.462   6.394
   37    HD3  PRO 111           HD1      PRO 111  -0.380  -6.497   7.713
   38    H    ALA 112           HN       ALA 112   0.924  -5.965   3.059
   39    HA   ALA 112           HA       ALA 112  -0.135  -5.568   0.626
   40    HB1  ALA 112           HB1      ALA 112   1.239  -8.115   1.466
   41    HB2  ALA 112           HB2      ALA 112   2.040  -6.611   1.013
   42    HB3  ALA 112           HB3      ALA 112   1.098  -7.501  -0.182
   43    H    ARG 113           HN       ARG 113  -0.987  -8.315   2.718
   44    HA   ARG 113           HA       ARG 113  -2.591  -9.766   1.035
   45    HB2  ARG 113           HB2      ARG 113  -3.195  -9.201   3.940
   46    HB3  ARG 113           HB1      ARG 113  -3.702 -10.599   3.010
   47    HG2  ARG 113           HG2      ARG 113  -0.838  -9.924   3.625
   48    HG3  ARG 113           HG1      ARG 113  -1.825 -11.048   4.560
   49    HD2  ARG 113           HD2      ARG 113  -0.650 -12.437   3.113
   50    HD3  ARG 113           HD1      ARG 113  -2.210 -12.244   2.316
   51    HE   ARG 113           HE       ARG 113  -0.376 -10.290   1.402
   52   HH11  ARG 113          HH11      ARG 113  -1.152 -13.676   1.130
   53   HH12  ARG 113          HH12      ARG 113  -0.459 -13.840  -0.448
   54   HH21  ARG 113          HH21      ARG 113   0.543 -10.500  -0.677
   55   HH22  ARG 113          HH22      ARG 113   0.507 -12.036  -1.474
   56    H    TYR 114           HN       TYR 114  -3.468  -6.938   2.970
   57    HA   TYR 114           HA       TYR 114  -6.192  -6.915   2.053
   58    HB2  TYR 114           HB2      TYR 114  -5.906  -6.028   4.205
   59    HB3  TYR 114           HB1      TYR 114  -4.511  -5.063   3.728
   60    HD1  TYR 114           HD1      TYR 114  -8.166  -5.408   3.184
   61    HD2  TYR 114           HD2      TYR 114  -4.803  -2.809   3.245
   62    HE1  TYR 114           HE1      TYR 114  -9.655  -3.490   2.895
   63    HE2  TYR 114           HE2      TYR 114  -6.288  -0.877   2.955
   64    HH   TYR 114           HH       TYR 114  -8.557  -0.408   2.055
   65    H    CYS 115           HN       CYS 115  -3.290  -4.992   1.376
   66    HA   CYS 115           HA       CYS 115  -4.582  -3.210  -0.423
   67    HB2  CYS 115           HB2      CYS 115  -1.687  -3.853   0.103
   68    HB3  CYS 115           HB1      CYS 115  -2.188  -2.665  -1.094
   69    H    CYS 116           HN       CYS 116  -4.081  -6.417  -0.818
   70    HA   CYS 116           HA       CYS 116  -3.566  -6.128  -3.706
   71    HB2  CYS 116           HB2      CYS 116  -1.823  -7.468  -2.997
   72    HB3  CYS 116           HB1      CYS 116  -2.777  -8.222  -1.725
   73    H    LEU 117           HN       LEU 117  -5.701  -7.468  -1.289
   74    HA   LEU 117           HA       LEU 117  -7.227  -8.945  -3.264
   75    HB2  LEU 117           HB2      LEU 117  -7.526  -8.609  -0.302
   76    HB3  LEU 117           HB1      LEU 117  -8.668  -9.510  -1.277
   77    HG   LEU 117           HG       LEU 117  -5.732 -10.174  -1.036
   78   HD11  LEU 117          HD11      LEU 117  -6.921 -10.477   1.090
   79   HD12  LEU 117          HD12      LEU 117  -6.424 -12.014   0.383
   80   HD13  LEU 117          HD13      LEU 117  -8.106 -11.495   0.271
   81   HD21  LEU 117          HD21      LEU 117  -6.741 -10.896  -3.138
   82   HD22  LEU 117          HD22      LEU 117  -8.035 -11.699  -2.249
   83   HD23  LEU 117          HD23      LEU 117  -6.375 -12.276  -2.103
   84    H    SER 118           HN       SER 118  -8.099  -6.501  -0.803
   85    HA   SER 118           HA       SER 118 -10.457  -5.826  -2.376
   86    HB2  SER 118           HB2      SER 118 -10.764  -6.151   0.018
   87    HB3  SER 118           HB1      SER 118  -9.573  -4.897   0.364
   88    HG   SER 118           HG       SER 118 -11.906  -4.309   0.394
   89    H    GLY 119           HN       GLY 119  -7.370  -4.433  -1.478
   90    HA2  GLY 119           HA2      GLY 119  -6.417  -2.746  -2.950
   91    HA3  GLY 119           HA1      GLY 119  -8.039  -2.115  -3.175
   92    H    CYS 120           HN       CYS 120  -5.711  -0.613  -2.345
   93    HA   CYS 120           HA       CYS 120  -6.883   0.605  -0.010
   94    HB2  CYS 120           HB2      CYS 120  -5.133   0.313   1.505
   95    HB3  CYS 120           HB1      CYS 120  -5.319  -1.274   0.776
   96    H    THR 121           HN       THR 121  -6.267   2.706   0.330
   97    HA   THR 121           HA       THR 121  -5.209   4.036  -1.989
   98    HB   THR 121           HB       THR 121  -5.955   6.052  -1.029
   99    HG1  THR 121           HG1      THR 121  -6.500   4.962   1.493
  100   HG21  THR 121          HG21      THR 121  -7.702   4.194  -1.532
  101   HG22  THR 121          HG22      THR 121  -8.216   5.641  -0.663
  102   HG23  THR 121          HG23      THR 121  -7.903   4.147   0.220
  103    H    GLN 122           HN       GLN 122  -3.974   6.242  -1.053
  104    HA   GLN 122           HA       GLN 122  -1.316   5.359  -0.663
  105    HB2  GLN 122           HB2      GLN 122  -2.078   7.481  -1.810
  106    HB3  GLN 122           HB1      GLN 122  -2.352   8.154  -0.212
  107    HG2  GLN 122           HG2      GLN 122  -0.031   7.972   0.336
  108    HG3  GLN 122           HG1      GLN 122   0.299   7.092  -1.156
  109   HE21  GLN 122          HE21      GLN 122   1.459   9.576  -0.163
  110   HE22  GLN 122          HE22      GLN 122   1.158  10.766  -1.379
  111    H    GLN 123           HN       GLN 123  -3.832   6.335   1.519
  112    HA   GLN 123           HA       GLN 123  -2.184   6.910   3.769
  113    HB2  GLN 123           HB2      GLN 123  -5.073   6.012   3.716
  114    HB3  GLN 123           HB1      GLN 123  -4.249   6.776   5.068
  115    HG2  GLN 123           HG2      GLN 123  -3.974   8.813   3.781
  116    HG3  GLN 123           HG1      GLN 123  -4.734   8.051   2.385
  117   HE21  GLN 123          HE21      GLN 123  -6.949   7.697   2.391
  118   HE22  GLN 123          HE22      GLN 123  -8.005   8.473   3.515
  119    H    ASP 124           HN       ASP 124  -3.927   3.993   2.729
  120    HA   ASP 124           HA       ASP 124  -3.201   2.439   4.978
  121    HB2  ASP 124           HB2      ASP 124  -5.024   1.990   3.191
  122    HB3  ASP 124           HB1      ASP 124  -3.714   1.267   2.263
  123    H    LEU 125           HN       LEU 125  -1.538   3.376   2.102
  124    HA   LEU 125           HA       LEU 125   0.483   1.381   2.229
  125    HB2  LEU 125           HB2      LEU 125  -0.114   2.190   0.128
  126    HB3  LEU 125           HB1      LEU 125  -0.191   3.833   0.686
  127    HG   LEU 125           HG       LEU 125   2.145   4.026   0.690
  128   HD11  LEU 125          HD11      LEU 125   3.585   2.147   0.005
  129   HD12  LEU 125          HD12      LEU 125   2.157   1.123   0.027
  130   HD13  LEU 125          HD13      LEU 125   2.743   1.836   1.522
  131   HD21  LEU 125          HD21      LEU 125   1.021   4.316  -1.433
  132   HD22  LEU 125          HD22      LEU 125   1.207   2.601  -1.742
  133   HD23  LEU 125          HD23      LEU 125   2.624   3.625  -1.665
  134    H    LEU 126           HN       LEU 126  -0.051   4.701   3.058
  135    HA   LEU 126           HA       LEU 126   2.414   5.481   4.017
  136    HB2  LEU 126           HB2      LEU 126  -0.393   6.222   4.535
  137    HB3  LEU 126           HB1      LEU 126   0.762   6.750   5.733
  138    HG   LEU 126           HG       LEU 126   0.964   7.382   2.789
  139   HD11  LEU 126          HD11      LEU 126   0.271   9.647   3.427
  140   HD12  LEU 126          HD12      LEU 126  -0.016   9.087   5.075
  141   HD13  LEU 126          HD13      LEU 126  -0.992   8.458   3.748
  142   HD21  LEU 126          HD21      LEU 126   2.649   8.993   3.497
  143   HD22  LEU 126          HD22      LEU 126   3.109   7.357   3.966
  144   HD23  LEU 126          HD23      LEU 126   2.461   8.469   5.170
  145    H    THR 127           HN       THR 127  -0.056   3.497   5.519
  146    HA   THR 127           HA       THR 127   1.255   3.378   8.081
  147    HB   THR 127           HB       THR 127  -0.438   1.519   8.501
  148    HG1  THR 127           HG1      THR 127  -2.110   2.311   6.541
  149   HG21  THR 127          HG21      THR 127  -0.659   4.023   9.036
  150   HG22  THR 127          HG22      THR 127  -2.137   3.063   9.009
  151   HG23  THR 127          HG23      THR 127  -1.731   4.095   7.637
  152    H    LEU 128           HN       LEU 128   2.040   2.126   5.206
  153    HA   LEU 128           HA       LEU 128   3.395  -0.184   6.430
  154    HB2  LEU 128           HB2      LEU 128   2.222  -0.236   3.646
  155    HB3  LEU 128           HB1      LEU 128   2.949  -1.562   4.522
  156    HG   LEU 128           HG       LEU 128   0.452  -0.201   5.501
  157   HD11  LEU 128          HD11      LEU 128   0.786  -2.341   3.445
  158   HD12  LEU 128          HD12      LEU 128  -0.372  -1.008   3.505
  159   HD13  LEU 128          HD13      LEU 128  -0.581  -2.405   4.559
  160   HD21  LEU 128          HD21      LEU 128   1.647  -1.458   7.145
  161   HD22  LEU 128          HD22      LEU 128   1.799  -2.821   6.024
  162   HD23  LEU 128          HD23      LEU 128   0.212  -2.372   6.665
  163    H    CYS 129           HN       CYS 129   3.797   2.687   5.305
  164    HA   CYS 129           HA       CYS 129   5.565   2.596   3.196
  165    HB2  CYS 129           HB2      CYS 129   4.817   4.592   5.225
  166    HB3  CYS 129           HB1      CYS 129   6.313   4.879   4.339
  167    HA   PRO 130           HA       PRO 130   9.605   2.989   5.643
  168    HB2  PRO 130           HB2      PRO 130   9.505   2.932   8.393
  169    HB3  PRO 130           HB1      PRO 130   9.578   4.405   7.420
  170    HG2  PRO 130           HG2      PRO 130   7.222   3.083   8.688
  171    HG3  PRO 130           HG1      PRO 130   7.602   4.809   8.552
  172    HD2  PRO 130           HD2      PRO 130   5.796   3.611   6.953
  173    HD3  PRO 130           HD1      PRO 130   6.819   4.929   6.369
  174    H    TYR 131           HN       TYR 131   7.818   1.357   8.215
  175    HA   TYR 131           HA       TYR 131   9.301  -0.787   8.762
  176    HB2  TYR 131           HB2      TYR 131   6.688  -1.875   8.441
  177    HB3  TYR 131           HB1      TYR 131   7.467  -1.334   9.923
  178    HD1  TYR 131           HD2      TYR 131   5.894   0.274   6.932
  179    HD2  TYR 131           HD1      TYR 131   6.220   0.154  11.171
  180    HE1  TYR 131           HE2      TYR 131   4.298   2.126   7.089
  181    HE2  TYR 131           HE1      TYR 131   4.610   2.004  11.350
  182    HH   TYR 131           HH       TYR 131   2.710   3.050   8.750
  183    H    GLY 132           HN       GLY 132  10.464  -2.030   7.443
  184    HA2  GLY 132           HA2      GLY 132  10.536  -3.981   6.058
  185    HA3  GLY 132           HA1      GLY 132   9.056  -3.440   5.281
  186    H2   PRO  25           HT1      PRO  25  -7.486  15.987  -5.149
  187    H3   PRO  25           HT2      PRO  25  -7.623  17.071  -3.936
  188    HA   PRO  25           HA       PRO  25  -9.673  17.206  -4.333
  189    HB2  PRO  25           HB2      PRO  25  -9.654  18.216  -7.056
  190    HB3  PRO  25           HB1      PRO  25 -10.090  19.048  -5.555
  191    HG2  PRO  25           HG2      PRO  25  -7.822  19.605  -6.940
  192    HG3  PRO  25           HG1      PRO  25  -7.951  19.777  -5.180
  193    HD2  PRO  25           HD2      PRO  25  -6.742  17.540  -6.782
  194    HD3  PRO  25           HD1      PRO  25  -6.115  18.344  -5.330
  195    H    THR  26           HN       THR  26  -8.445  14.717  -5.104
  196    HA   THR  26           HA       THR  26 -10.505  13.772  -6.968
  197    HB   THR  26           HB       THR  26  -8.843  12.192  -7.963
  198    HG1  THR  26           HG1      THR  26  -7.235  13.437  -6.106
  199   HG21  THR  26          HG21      THR  26  -9.456  14.194  -9.180
  200   HG22  THR  26          HG22      THR  26  -7.734  13.881  -9.395
  201   HG23  THR  26          HG23      THR  26  -8.271  15.140  -8.281
  202    HA   PRO  27           HA       PRO  27 -11.344  10.768  -3.821
  203    HB2  PRO  27           HB2      PRO  27 -11.930   8.884  -6.024
  204    HB3  PRO  27           HB1      PRO  27 -12.961   9.437  -4.706
  205    HG2  PRO  27           HG2      PRO  27 -13.307  10.272  -7.233
  206    HG3  PRO  27           HG1      PRO  27 -13.655  11.300  -5.832
  207    HD2  PRO  27           HD2      PRO  27 -11.364  11.384  -7.724
  208    HD3  PRO  27           HD1      PRO  27 -12.168  12.698  -6.846
  209    H    GLU  28           HN       GLU  28 -10.039   9.447  -2.732
  210    HA   GLU  28           HA       GLU  28  -7.548   8.615  -3.747
  211    HB2  GLU  28           HB2      GLU  28  -9.027   7.657  -1.292
  212    HB3  GLU  28           HB1      GLU  28  -7.322   7.394  -1.621
  213    HG2  GLU  28           HG2      GLU  28  -8.651  10.064  -1.220
  214    HG3  GLU  28           HG1      GLU  28  -7.660   9.208  -0.040
  215    H    MET  29           HN       MET  29  -7.844   7.366  -5.591
  216    HA   MET  29           HA       MET  29  -9.498   5.037  -5.622
  217    HB2  MET  29           HB2      MET  29  -7.296   5.938  -7.490
  218    HB3  MET  29           HB1      MET  29  -8.378   4.588  -7.795
  219    HG2  MET  29           HG2      MET  29 -10.279   6.061  -7.859
  220    HG3  MET  29           HG1      MET  29  -9.271   7.433  -7.407
  221    HE1  MET  29           HE1      MET  29  -7.047   7.945 -10.553
  222    HE2  MET  29           HE2      MET  29  -6.643   6.976  -9.138
  223    HE3  MET  29           HE3      MET  29  -7.468   8.522  -8.941
  224    H    ARG  30           HN       ARG  30  -9.028   3.320  -4.416
  225    HA   ARG  30           HA       ARG  30  -6.310   2.705  -3.669
  226    HB2  ARG  30           HB2      ARG  30  -7.712   0.578  -2.754
  227    HB3  ARG  30           HB1      ARG  30  -7.515   2.075  -1.875
  228    HG2  ARG  30           HG2      ARG  30  -9.672   2.851  -2.745
  229    HG3  ARG  30           HG1      ARG  30  -9.857   1.312  -3.588
  230    HD2  ARG  30           HD2      ARG  30  -9.221   1.100  -0.739
  231    HD3  ARG  30           HD1      ARG  30 -10.792   1.820  -1.095
  232    HE   ARG  30           HE       ARG  30 -10.022  -0.770  -2.261
  233   HH11  ARG  30          HH11      ARG  30 -12.160   1.174  -0.312
  234   HH12  ARG  30          HH12      ARG  30 -13.363  -0.063  -0.168
  235   HH21  ARG  30          HH21      ARG  30 -11.604  -2.406  -2.072
  236   HH22  ARG  30          HH22      ARG  30 -13.047  -2.096  -1.166
  237    H    GLU  31           HN       GLU  31  -4.971   1.440  -4.722
  238    HA   GLU  31           HA       GLU  31  -5.964  -0.189  -6.924
  239    HB2  GLU  31           HB2      GLU  31  -3.098   0.328  -6.128
  240    HB3  GLU  31           HB1      GLU  31  -3.672  -0.347  -7.645
  241    HG2  GLU  31           HG2      GLU  31  -4.737   1.765  -8.207
  242    HG3  GLU  31           HG1      GLU  31  -4.197   2.452  -6.676
  243    H    LYS  32           HN       LYS  32  -5.404  -2.402  -7.173
  244    HA   LYS  32           HA       LYS  32  -5.384  -3.878  -4.716
  245    HB2  LYS  32           HB2      LYS  32  -5.626  -4.494  -7.600
  246    HB3  LYS  32           HB1      LYS  32  -5.235  -5.789  -6.486
  247    HG2  LYS  32           HG2      LYS  32  -7.259  -4.913  -5.134
  248    HG3  LYS  32           HG1      LYS  32  -7.709  -4.131  -6.651
  249    HD2  LYS  32           HD2      LYS  32  -7.424  -6.394  -7.730
  250    HD3  LYS  32           HD1      LYS  32  -7.342  -7.057  -6.101
  251    HE2  LYS  32           HE2      LYS  32  -9.553  -6.085  -5.618
  252    HE3  LYS  32           HE1      LYS  32  -9.637  -5.489  -7.274
  253    HZ1  LYS  32           HZ1      LYS  32  -9.521  -7.783  -8.054
  254    HZ2  LYS  32           HZ2      LYS  32 -10.854  -7.550  -7.039
  255    HZ3  LYS  32           HZ3      LYS  32  -9.476  -8.341  -6.458
  256    H    LEU  33           HN       LEU  33  -3.188  -2.476  -4.692
  257    HA   LEU  33           HA       LEU  33  -0.835  -3.166  -5.829
  258    HB2  LEU  33           HB2      LEU  33  -1.171  -2.661  -2.876
  259    HB3  LEU  33           HB1      LEU  33   0.254  -2.344  -3.848
  260    HG   LEU  33           HG       LEU  33  -2.391  -0.915  -4.102
  261   HD11  LEU  33          HD11      LEU  33   0.243   0.081  -3.046
  262   HD12  LEU  33          HD12      LEU  33  -1.161  -0.331  -2.061
  263   HD13  LEU  33          HD13      LEU  33  -1.247   1.012  -3.201
  264   HD21  LEU  33          HD21      LEU  33  -1.353  -1.025  -6.241
  265   HD22  LEU  33          HD22      LEU  33   0.192  -0.564  -5.547
  266   HD23  LEU  33          HD23      LEU  33  -1.121   0.599  -5.594
  267    H    CYS  34           HN       CYS  34  -0.524  -5.271  -6.344
  268    HA   CYS  34           HA       CYS  34  -0.056  -7.118  -4.099
  269    HB2  CYS  34           HB2      CYS  34  -2.150  -7.458  -5.682
  270    HB3  CYS  34           HB1      CYS  34  -0.945  -8.164  -6.755
  271    H    GLY  35           HN       GLY  35   1.763  -8.381  -4.209
  272    HA2  GLY  35           HA2      GLY  35   3.804  -9.143  -4.940
  273    HA3  GLY  35           HA1      GLY  35   3.245  -8.849  -6.579
  274    H    HIS  36           HN       HIS  36   4.230  -7.297  -7.702
  275    HA   HIS  36           HA       HIS  36   6.216  -5.662  -6.358
  276    HB2  HIS  36           HB2      HIS  36   6.997  -5.091  -8.578
  277    HB3  HIS  36           HB1      HIS  36   6.749  -6.831  -8.482
  278    HD1  HIS  36           HD1      HIS  36   5.628  -3.807 -10.312
  279    HD2  HIS  36           HD2      HIS  36   4.507  -7.789  -9.928
  280    HE1  HIS  36           HE1      HIS  36   4.049  -4.287 -12.228
  281    H    HIS  37           HN       HIS  37   3.001  -5.325  -7.509
  282    HA   HIS  37           HA       HIS  37   2.977  -2.589  -8.170
  283    HB2  HIS  37           HB2      HIS  37   0.726  -4.190  -6.950
  284    HB3  HIS  37           HB1      HIS  37   0.569  -2.674  -7.823
  285    HD1  HIS  37           HD1      HIS  37   0.164  -6.172  -8.359
  286    HD2  HIS  37           HD2      HIS  37   1.677  -3.023 -10.605
  287    HE1  HIS  37           HE1      HIS  37   0.104  -6.928 -10.772
  288    H    PHE  38           HN       PHE  38   2.543  -4.257  -5.063
  289    HA   PHE  38           HA       PHE  38   2.042  -1.801  -3.687
  290    HB2  PHE  38           HB2      PHE  38   1.377  -4.222  -2.949
  291    HB3  PHE  38           HB1      PHE  38   2.993  -4.264  -2.264
  292    HD1  PHE  38           HD1      PHE  38   1.657  -0.957  -2.207
  293    HD2  PHE  38           HD2      PHE  38   1.577  -4.674  -0.116
  294    HE1  PHE  38           HE1      PHE  38   0.756   0.162  -0.238
  295    HE2  PHE  38           HE2      PHE  38   0.700  -3.532   1.860
  296    HZ   PHE  38           HZ       PHE  38   0.287  -1.109   1.795
  297    H    VAL  39           HN       VAL  39   4.832  -3.897  -4.188
  298    HA   VAL  39           HA       VAL  39   6.633  -2.593  -2.481
  299    HB   VAL  39           HB       VAL  39   7.156  -4.019  -5.101
  300   HG11  VAL  39          HG11      VAL  39   9.466  -4.267  -4.300
  301   HG12  VAL  39          HG12      VAL  39   9.088  -3.224  -2.928
  302   HG13  VAL  39          HG13      VAL  39   9.031  -2.580  -4.569
  303   HG21  VAL  39          HG21      VAL  39   6.085  -5.411  -3.405
  304   HG22  VAL  39          HG22      VAL  39   7.344  -4.981  -2.248
  305   HG23  VAL  39          HG23      VAL  39   7.750  -5.919  -3.686
  306    H    ARG  40           HN       ARG  40   5.463  -1.794  -5.675
  307    HA   ARG  40           HA       ARG  40   7.404   0.297  -6.108
  308    HB2  ARG  40           HB2      ARG  40   5.939  -1.134  -7.821
  309    HB3  ARG  40           HB1      ARG  40   4.834   0.216  -7.619
  310    HG2  ARG  40           HG2      ARG  40   6.644   1.760  -8.264
  311    HG3  ARG  40           HG1      ARG  40   7.694   0.371  -8.549
  312    HD2  ARG  40           HD2      ARG  40   6.046  -0.458 -10.214
  313    HD3  ARG  40           HD1      ARG  40   5.127   1.029  -9.988
  314    HE   ARG  40           HE       ARG  40   7.902   1.389 -10.726
  315   HH11  ARG  40          HH11      ARG  40   4.608   1.097 -11.825
  316   HH12  ARG  40          HH12      ARG  40   4.911   1.873 -13.343
  317   HH21  ARG  40          HH21      ARG  40   8.307   2.411 -12.724
  318   HH22  ARG  40          HH22      ARG  40   7.012   2.618 -13.855
  319    H    ALA  41           HN       ALA  41   3.892   0.169  -5.492
  320    HA   ALA  41           HA       ALA  41   3.394   2.867  -5.185
  321    HB1  ALA  41           HB1      ALA  41   1.438   2.276  -3.996
  322    HB2  ALA  41           HB2      ALA  41   2.157   0.787  -3.381
  323    HB3  ALA  41           HB3      ALA  41   1.736   0.924  -5.091
  324    H    LEU  42           HN       LEU  42   4.834   0.545  -3.053
  325    HA   LEU  42           HA       LEU  42   4.991   1.994  -0.689
  326    HB2  LEU  42           HB2      LEU  42   6.020  -0.428  -1.857
  327    HB3  LEU  42           HB1      LEU  42   7.266   0.360  -0.956
  328    HG   LEU  42           HG       LEU  42   6.344  -1.140   0.521
  329   HD11  LEU  42          HD11      LEU  42   5.373   0.186   2.251
  330   HD12  LEU  42          HD12      LEU  42   4.833   1.366   1.061
  331   HD13  LEU  42          HD13      LEU  42   6.554   1.186   1.397
  332   HD21  LEU  42          HD21      LEU  42   4.394  -1.758  -0.724
  333   HD22  LEU  42          HD22      LEU  42   3.680  -0.189  -0.370
  334   HD23  LEU  42          HD23      LEU  42   3.940  -1.343   0.932
  335    H    VAL  43           HN       VAL  43   7.628   1.326  -2.984
  336    HA   VAL  43           HA       VAL  43   9.460   3.142  -2.075
  337    HB   VAL  43           HB       VAL  43   9.672   1.271  -3.806
  338   HG11  VAL  43          HG11      VAL  43   8.651   3.495  -5.495
  339   HG12  VAL  43          HG12      VAL  43   8.253   1.777  -5.517
  340   HG13  VAL  43          HG13      VAL  43   9.799   2.333  -6.159
  341   HG21  VAL  43          HG21      VAL  43  11.646   2.339  -4.812
  342   HG22  VAL  43          HG22      VAL  43  11.531   2.546  -3.065
  343   HG23  VAL  43          HG23      VAL  43  11.118   3.883  -4.137
  344    H    ARG  44           HN       ARG  44   6.500   3.865  -3.509
  345    HA   ARG  44           HA       ARG  44   7.286   6.333  -4.772
  346    HB2  ARG  44           HB2      ARG  44   5.473   5.220  -5.781
  347    HB3  ARG  44           HB1      ARG  44   4.645   5.039  -4.248
  348    HG2  ARG  44           HG2      ARG  44   4.377   7.490  -4.152
  349    HG3  ARG  44           HG1      ARG  44   5.078   7.591  -5.759
  350    HD2  ARG  44           HD2      ARG  44   2.569   6.092  -5.026
  351    HD3  ARG  44           HD1      ARG  44   2.637   7.647  -5.854
  352    HE   ARG  44           HE       ARG  44   4.048   5.464  -7.139
  353   HH11  ARG  44          HH11      ARG  44   1.115   7.331  -6.924
  354   HH12  ARG  44          HH12      ARG  44   0.576   6.903  -8.514
  355   HH21  ARG  44          HH21      ARG  44   3.352   4.900  -9.230
  356   HH22  ARG  44          HH22      ARG  44   1.849   5.524  -9.826
  357    H    VAL  45           HN       VAL  45   4.745   5.878  -2.348
  358    HA   VAL  45           HA       VAL  45   5.224   8.536  -1.315
  359    HB   VAL  45           HB       VAL  45   2.980   8.260  -1.196
  360   HG11  VAL  45          HG11      VAL  45   2.612   6.242  -2.191
  361   HG12  VAL  45          HG12      VAL  45   1.981   5.931  -0.560
  362   HG13  VAL  45          HG13      VAL  45   3.590   5.358  -1.018
  363   HG21  VAL  45          HG21      VAL  45   3.877   7.021   1.390
  364   HG22  VAL  45          HG22      VAL  45   2.176   7.317   1.032
  365   HG23  VAL  45          HG23      VAL  45   3.319   8.668   1.093
  366    H    CYS  46           HN       CYS  46   6.634   5.597  -0.739
  367    HA   CYS  46           HA       CYS  46   7.271   6.328   2.043
  368    HB2  CYS  46           HB2      CYS  46   7.500   3.509   1.078
  369    HB3  CYS  46           HB1      CYS  46   7.168   4.119   2.691
  370    H    GLY  47           HN       GLY  47   8.566   5.429  -1.063
  371    HA2  GLY  47           HA2      GLY  47  10.738   5.499  -1.840
  372    HA3  GLY  47           HA1      GLY  47  11.170   6.323  -0.345
  373    H    GLY  48           HN       GLY  48  11.542   5.001   1.562
  374    HA2  GLY  48           HA2      GLY  48  12.509   3.261   2.670
  375    HA3  GLY  48           HA1      GLY  48  11.650   2.204   1.570
  376    HA   PRO  49           HA       PRO  49  16.263   2.359   0.466
  377    HB2  PRO  49           HB2      PRO  49  17.364   0.951   2.671
  378    HB3  PRO  49           HB1      PRO  49  17.589   2.652   2.271
  379    HG2  PRO  49           HG2      PRO  49  16.245   1.680   4.508
  380    HG3  PRO  49           HG1      PRO  49  16.117   3.324   3.862
  381    HD2  PRO  49           HD2      PRO  49  14.279   1.000   3.511
  382    HD3  PRO  49           HD1      PRO  49  13.899   2.725   3.675
  383    H    LYS  50           HN       LYS  50  14.312  -0.128   1.937
  384    HA   LYS  50           HA       LYS  50  15.799  -2.386   1.122
  385    HB2  LYS  50           HB2      LYS  50  12.855  -2.059   1.714
  386    HB3  LYS  50           HB1      LYS  50  13.604  -3.609   1.373
  387    HG2  LYS  50           HG2      LYS  50  13.451  -3.479   3.708
  388    HG3  LYS  50           HG1      LYS  50  15.142  -3.147   3.329
  389    HD2  LYS  50           HD2      LYS  50  14.355  -1.604   5.023
  390    HD3  LYS  50           HD1      LYS  50  14.690  -0.736   3.526
  391    HE2  LYS  50           HE2      LYS  50  12.653   0.145   4.288
  392    HE3  LYS  50           HE1      LYS  50  12.205  -0.987   3.016
  393    HZ1  LYS  50           HZ       LYS  50  11.860  -1.415   5.903
  394    H    TRP  51           HN       TRP  51  12.584  -1.695  -0.153
  395    HA   TRP  51           HA       TRP  51  12.945  -3.017  -2.577
  396    HB2  TRP  51           HB2      TRP  51  10.957  -1.352  -3.231
  397    HB3  TRP  51           HB1      TRP  51  10.718  -2.719  -2.152
  398    HD1  TRP  51           HD1      TRP  51  11.722   1.015  -1.718
  399    HE1  TRP  51           HE1      TRP  51  10.524   1.905   0.378
  400    HE3  TRP  51           HE3      TRP  51   9.303  -3.239  -0.313
  401    HZ2  TRP  51           HZ2      TRP  51   8.786   0.924   2.372
  402    HZ3  TRP  51           HZ3      TRP  51   7.894  -3.197   1.710
  403    HH2  TRP  51           HH2      TRP  51   7.634  -1.148   3.023
  Start of MODEL   16
    1    H1   ALA 106           HT1      ALA 106  -8.620   0.213  13.949
    2    H2   ALA 106           HT2      ALA 106  -7.452   0.650  12.806
    3    H3   ALA 106           HT3      ALA 106  -7.532   1.466  14.285
    4    HA   ALA 106           HA       ALA 106  -5.689  -0.078  14.263
    5    HB1  ALA 106           HB1      ALA 106  -6.821   0.406  16.374
    6    HB2  ALA 106           HB2      ALA 106  -6.214  -1.250  16.336
    7    HB3  ALA 106           HB3      ALA 106  -7.931  -0.934  16.088
    8    H    ALA 107           HN       ALA 107  -5.024  -2.344  14.406
    9    HA   ALA 107           HA       ALA 107  -4.842  -4.419  13.490
   10    HB1  ALA 107           HB1      ALA 107  -6.688  -4.891  15.018
   11    HB2  ALA 107           HB2      ALA 107  -6.833  -5.833  13.533
   12    HB3  ALA 107           HB3      ALA 107  -7.845  -4.409  13.777
   13    H    ALA 108           HN       ALA 108  -4.062  -3.686  11.483
   14    HA   ALA 108           HA       ALA 108  -5.898  -3.105   9.334
   15    HB1  ALA 108           HB1      ALA 108  -3.742  -1.949   9.499
   16    HB2  ALA 108           HB2      ALA 108  -3.903  -2.814   7.972
   17    HB3  ALA 108           HB3      ALA 108  -2.906  -3.482   9.263
   18    H    THR 109           HN       THR 109  -5.371  -5.876  10.769
   19    HA   THR 109           HA       THR 109  -5.612  -8.055  10.242
   20    HB   THR 109           HB       THR 109  -6.310  -7.262   7.420
   21    HG1  THR 109           HG1      THR 109  -8.085  -6.365   8.149
   22   HG21  THR 109          HG21      THR 109  -7.030  -9.535   9.251
   23   HG22  THR 109          HG22      THR 109  -6.185  -9.616   7.704
   24   HG23  THR 109          HG23      THR 109  -7.899  -9.201   7.753
   25    H    ASN 110           HN       ASN 110  -4.465  -6.878   7.068
   26    HA   ASN 110           HA       ASN 110  -1.867  -8.082   7.530
   27    HB2  ASN 110           HB2      ASN 110  -3.756  -9.049   5.377
   28    HB3  ASN 110           HB1      ASN 110  -2.025  -9.374   5.367
   29   HD21  ASN 110          HD21      ASN 110  -1.152 -10.759   6.909
   30   HD22  ASN 110          HD22      ASN 110  -2.134 -11.849   7.820
   31    HA   PRO 111           HA       PRO 111  -0.636  -4.715   4.958
   32    HB2  PRO 111           HB2      PRO 111   1.706  -6.234   4.050
   33    HB3  PRO 111           HB1      PRO 111   1.637  -4.827   5.106
   34    HG2  PRO 111           HG2      PRO 111   2.295  -7.268   6.021
   35    HG3  PRO 111           HG1      PRO 111   1.392  -6.104   7.008
   36    HD2  PRO 111           HD2      PRO 111   0.363  -8.445   5.430
   37    HD3  PRO 111           HD1      PRO 111  -0.047  -7.941   7.085
   38    H    ALA 112           HN       ALA 112   1.304  -6.121   2.728
   39    HA   ALA 112           HA       ALA 112  -0.019  -5.409   0.480
   40    HB1  ALA 112           HB1      ALA 112   1.720  -7.857   0.725
   41    HB2  ALA 112           HB2      ALA 112   2.304  -6.201   0.547
   42    HB3  ALA 112           HB3      ALA 112   1.378  -6.954  -0.751
   43    H    ARG 113           HN       ARG 113  -0.484  -8.416   2.275
   44    HA   ARG 113           HA       ARG 113  -1.980  -9.868   0.463
   45    HB2  ARG 113           HB2      ARG 113  -2.529  -9.715   3.429
   46    HB3  ARG 113           HB1      ARG 113  -2.858 -11.062   2.353
   47    HG2  ARG 113           HG2      ARG 113  -0.109 -10.042   3.025
   48    HG3  ARG 113           HG1      ARG 113  -0.894 -11.422   3.797
   49    HD2  ARG 113           HD2      ARG 113  -1.023 -12.556   1.633
   50    HD3  ARG 113           HD1      ARG 113  -0.246 -11.174   0.860
   51    HE   ARG 113           HE       ARG 113   1.423 -12.048   2.913
   52   HH11  ARG 113          HH11      ARG 113   0.181 -13.211  -0.129
   53   HH12  ARG 113          HH12      ARG 113   1.558 -14.209  -0.455
   54   HH21  ARG 113          HH21      ARG 113   3.240 -13.358   2.489
   55   HH22  ARG 113          HH22      ARG 113   3.296 -14.293   1.032
   56    H    TYR 114           HN       TYR 114  -3.033  -7.405   2.766
   57    HA   TYR 114           HA       TYR 114  -5.786  -7.508   2.095
   58    HB2  TYR 114           HB2      TYR 114  -5.493  -6.521   4.156
   59    HB3  TYR 114           HB1      TYR 114  -4.026  -5.669   3.668
   60    HD1  TYR 114           HD1      TYR 114  -7.620  -5.718   2.617
   61    HD2  TYR 114           HD2      TYR 114  -4.246  -3.386   3.739
   62    HE1  TYR 114           HE1      TYR 114  -8.939  -3.676   2.328
   63    HE2  TYR 114           HE2      TYR 114  -5.568  -1.338   3.459
   64    HH   TYR 114           HH       TYR 114  -8.930  -1.337   3.154
   65    H    CYS 115           HN       CYS 115  -3.256  -5.131   1.303
   66    HA   CYS 115           HA       CYS 115  -4.760  -3.481  -0.326
   67    HB2  CYS 115           HB2      CYS 115  -1.823  -4.153  -0.580
   68    HB3  CYS 115           HB1      CYS 115  -2.620  -2.759  -1.303
   69    H    CYS 116           HN       CYS 116  -3.523  -6.642  -1.015
   70    HA   CYS 116           HA       CYS 116  -3.507  -6.473  -3.834
   71    HB2  CYS 116           HB2      CYS 116  -2.369  -8.275  -2.588
   72    HB3  CYS 116           HB1      CYS 116  -3.937  -8.907  -2.096
   73    H    LEU 117           HN       LEU 117  -6.016  -6.605  -1.581
   74    HA   LEU 117           HA       LEU 117  -7.971  -6.890  -3.739
   75    HB2  LEU 117           HB2      LEU 117  -8.515  -8.094  -1.093
   76    HB3  LEU 117           HB1      LEU 117  -9.252  -8.465  -2.629
   77    HG   LEU 117           HG       LEU 117  -6.368  -9.118  -2.269
   78   HD11  LEU 117          HD11      LEU 117  -8.628 -10.714  -1.075
   79   HD12  LEU 117          HD12      LEU 117  -7.296  -9.948  -0.208
   80   HD13  LEU 117          HD13      LEU 117  -6.980 -11.302  -1.293
   81   HD21  LEU 117          HD21      LEU 117  -7.458  -9.451  -4.425
   82   HD22  LEU 117          HD22      LEU 117  -8.666 -10.487  -3.663
   83   HD23  LEU 117          HD23      LEU 117  -6.976 -10.991  -3.714
   84    H    SER 118           HN       SER 118  -9.924  -5.827  -3.354
   85    HA   SER 118           HA       SER 118 -11.343  -4.250  -2.571
   86    HB2  SER 118           HB2      SER 118 -11.669  -3.999  -0.288
   87    HB3  SER 118           HB1      SER 118 -10.857  -5.562  -0.334
   88    HG   SER 118           HG       SER 118  -8.996  -3.675  -0.234
   89    H    GLY 119           HN       GLY 119  -8.097  -3.998  -2.924
   90    HA2  GLY 119           HA2      GLY 119  -6.963  -2.165  -3.782
   91    HA3  GLY 119           HA1      GLY 119  -8.305  -1.168  -3.286
   92    H    CYS 120           HN       CYS 120  -6.127   0.050  -2.846
   93    HA   CYS 120           HA       CYS 120  -5.896   0.249  -0.011
   94    HB2  CYS 120           HB2      CYS 120  -4.158  -1.577  -1.226
   95    HB3  CYS 120           HB1      CYS 120  -3.188  -0.131  -0.974
   96    H    THR 121           HN       THR 121  -6.088   2.394   0.086
   97    HA   THR 121           HA       THR 121  -5.322   4.179  -1.946
   98    HB   THR 121           HB       THR 121  -5.979   5.932  -0.536
   99    HG1  THR 121           HG1      THR 121  -5.370   5.986   1.487
  100   HG21  THR 121          HG21      THR 121  -7.751   4.164  -1.021
  101   HG22  THR 121          HG22      THR 121  -8.078   5.262   0.322
  102   HG23  THR 121          HG23      THR 121  -7.511   3.623   0.642
  103    H    GLN 122           HN       GLN 122  -3.944   6.219  -1.111
  104    HA   GLN 122           HA       GLN 122  -1.239   5.262  -1.020
  105    HB2  GLN 122           HB2      GLN 122  -2.099   7.301  -2.280
  106    HB3  GLN 122           HB1      GLN 122  -2.179   8.119  -0.727
  107    HG2  GLN 122           HG2      GLN 122   0.238   7.693  -0.431
  108    HG3  GLN 122           HG1      GLN 122   0.277   7.010  -2.054
  109   HE21  GLN 122          HE21      GLN 122   0.081   9.887  -0.161
  110   HE22  GLN 122          HE22      GLN 122   0.251  11.012  -1.461
  111    H    GLN 123           HN       GLN 123  -3.502   6.590   1.285
  112    HA   GLN 123           HA       GLN 123  -1.489   7.083   3.290
  113    HB2  GLN 123           HB2      GLN 123  -4.510   7.087   3.378
  114    HB3  GLN 123           HB1      GLN 123  -3.511   7.407   4.788
  115    HG2  GLN 123           HG2      GLN 123  -2.453   9.275   3.485
  116    HG3  GLN 123           HG1      GLN 123  -3.695   9.019   2.261
  117   HE21  GLN 123          HE21      GLN 123  -3.026  10.116   5.485
  118   HE22  GLN 123          HE22      GLN 123  -4.541  10.902   5.752
  119    H    ASP 124           HN       ASP 124  -3.584   4.451   2.383
  120    HA   ASP 124           HA       ASP 124  -3.236   2.995   4.847
  121    HB2  ASP 124           HB2      ASP 124  -4.325   2.202   2.136
  122    HB3  ASP 124           HB1      ASP 124  -4.205   1.077   3.487
  123    H    LEU 125           HN       LEU 125  -1.581   3.529   1.953
  124    HA   LEU 125           HA       LEU 125   0.155   1.243   2.071
  125    HB2  LEU 125           HB2      LEU 125   0.143   1.790  -0.093
  126    HB3  LEU 125           HB1      LEU 125  -0.792   3.203   0.250
  127    HG   LEU 125           HG       LEU 125   1.254   4.491   0.513
  128   HD11  LEU 125          HD11      LEU 125   3.329   3.258  -0.449
  129   HD12  LEU 125          HD12      LEU 125   2.434   1.816   0.025
  130   HD13  LEU 125          HD13      LEU 125   2.898   2.997   1.243
  131   HD21  LEU 125          HD21      LEU 125   0.135   4.330  -1.638
  132   HD22  LEU 125          HD22      LEU 125   1.066   2.883  -1.982
  133   HD23  LEU 125          HD23      LEU 125   1.881   4.420  -1.852
  134    H    LEU 126           HN       LEU 126   0.100   4.650   2.621
  135    HA   LEU 126           HA       LEU 126   2.733   5.201   3.279
  136    HB2  LEU 126           HB2      LEU 126   1.748   7.203   3.271
  137    HB3  LEU 126           HB1      LEU 126   0.173   6.467   3.378
  138    HG   LEU 126           HG       LEU 126   0.611   6.339   5.905
  139   HD11  LEU 126          HD11      LEU 126   2.985   6.857   5.860
  140   HD12  LEU 126          HD12      LEU 126   2.100   8.080   6.773
  141   HD13  LEU 126          HD13      LEU 126   2.643   8.427   5.131
  142   HD21  LEU 126          HD21      LEU 126  -1.081   7.760   5.102
  143   HD22  LEU 126          HD22      LEU 126   0.086   8.884   4.403
  144   HD23  LEU 126          HD23      LEU 126  -0.077   8.757   6.156
  145    H    THR 127           HN       THR 127   0.054   4.195   5.355
  146    HA   THR 127           HA       THR 127   1.522   4.370   7.773
  147    HB   THR 127           HB       THR 127  -0.865   4.608   7.806
  148    HG1  THR 127           HG1      THR 127  -0.850   2.235   9.149
  149   HG21  THR 127          HG21      THR 127  -1.340   3.111   5.914
  150   HG22  THR 127          HG22      THR 127  -2.356   2.757   7.311
  151   HG23  THR 127          HG23      THR 127  -0.978   1.723   6.936
  152    H    LEU 128           HN       LEU 128   1.430   1.932   5.339
  153    HA   LEU 128           HA       LEU 128   2.078  -0.184   7.194
  154    HB2  LEU 128           HB2      LEU 128   1.569  -0.072   4.280
  155    HB3  LEU 128           HB1      LEU 128   2.665  -1.316   4.841
  156    HG   LEU 128           HG       LEU 128   0.045  -0.968   6.218
  157   HD11  LEU 128          HD11      LEU 128  -1.023  -2.501   4.724
  158   HD12  LEU 128          HD12      LEU 128   0.446  -2.629   3.760
  159   HD13  LEU 128          HD13      LEU 128  -0.445  -1.110   3.805
  160   HD21  LEU 128          HD21      LEU 128   1.557  -2.415   7.293
  161   HD22  LEU 128          HD22      LEU 128   2.003  -3.170   5.765
  162   HD23  LEU 128          HD23      LEU 128   0.402  -3.451   6.450
  163    H    CYS 129           HN       CYS 129   3.876   1.602   4.698
  164    HA   CYS 129           HA       CYS 129   6.221   0.546   4.426
  165    HB2  CYS 129           HB2      CYS 129   6.105   2.692   3.620
  166    HB3  CYS 129           HB1      CYS 129   5.606   3.360   5.171
  167    HA   PRO 130           HA       PRO 130   7.985   1.862   8.915
  168    HB2  PRO 130           HB2      PRO 130   5.388   1.187  10.241
  169    HB3  PRO 130           HB1      PRO 130   6.651   2.314  10.751
  170    HG2  PRO 130           HG2      PRO 130   4.430   3.214   9.605
  171    HG3  PRO 130           HG1      PRO 130   6.004   3.940   9.228
  172    HD2  PRO 130           HD2      PRO 130   4.310   2.138   7.582
  173    HD3  PRO 130           HD1      PRO 130   5.439   3.403   7.071
  174    H    TYR 131           HN       TYR 131   6.184  -0.731   7.634
  175    HA   TYR 131           HA       TYR 131   6.825  -2.670   9.644
  176    HB2  TYR 131           HB2      TYR 131   5.740  -4.251   8.276
  177    HB3  TYR 131           HB1      TYR 131   4.855  -2.756   8.008
  178    HD1  TYR 131           HD2      TYR 131   5.444  -1.405   5.889
  179    HD2  TYR 131           HD1      TYR 131   6.627  -5.446   6.480
  180    HE1  TYR 131           HE2      TYR 131   5.786  -1.635   3.473
  181    HE2  TYR 131           HE1      TYR 131   6.969  -5.701   4.060
  182    HH   TYR 131           HH       TYR 131   6.226  -4.681   1.982
  183    H    GLY 132           HN       GLY 132   8.191  -1.644   6.570
  184    HA2  GLY 132           HA2      GLY 132  10.702  -2.932   7.275
  185    HA3  GLY 132           HA1      GLY 132   9.932  -3.510   5.806
  186    H2   PRO  25           HT1      PRO  25 -10.078  14.787   3.588
  187    H3   PRO  25           HT2      PRO  25 -10.305  15.714   4.912
  188    HA   PRO  25           HA       PRO  25  -9.948  17.395   3.710
  189    HB2  PRO  25           HB2      PRO  25  -7.183  17.004   2.977
  190    HB3  PRO  25           HB1      PRO  25  -7.870  18.108   4.178
  191    HG2  PRO  25           HG2      PRO  25  -6.386  15.909   4.830
  192    HG3  PRO  25           HG1      PRO  25  -7.625  16.612   5.886
  193    HD2  PRO  25           HD2      PRO  25  -7.816  14.233   4.061
  194    HD3  PRO  25           HD1      PRO  25  -8.420  14.426   5.718
  195    H    THR  26           HN       THR  26  -7.955  14.891   2.124
  196    HA   THR  26           HA       THR  26  -9.148  15.705  -0.447
  197    HB   THR  26           HB       THR  26  -7.111  14.877  -1.544
  198    HG1  THR  26           HG1      THR  26  -6.576  14.006   1.030
  199   HG21  THR  26          HG21      THR  26  -7.250  17.242  -0.885
  200   HG22  THR  26          HG22      THR  26  -5.592  16.644  -0.826
  201   HG23  THR  26          HG23      THR  26  -6.510  16.846   0.667
  202    HA   PRO  27           HA       PRO  27 -10.821  11.646  -0.934
  203    HB2  PRO  27           HB2      PRO  27 -10.560  11.263  -3.622
  204    HB3  PRO  27           HB1      PRO  27 -11.783  12.316  -2.903
  205    HG2  PRO  27           HG2      PRO  27  -9.138  13.035  -4.107
  206    HG3  PRO  27           HG1      PRO  27 -10.710  13.835  -4.299
  207    HD2  PRO  27           HD2      PRO  27  -8.818  14.789  -2.636
  208    HD3  PRO  27           HD1      PRO  27 -10.549  14.918  -2.262
  209    H    GLU  28           HN       GLU  28 -10.308   9.441  -1.538
  210    HA   GLU  28           HA       GLU  28  -7.444   8.955  -1.992
  211    HB2  GLU  28           HB2      GLU  28  -7.617   7.026  -0.405
  212    HB3  GLU  28           HB1      GLU  28  -7.757   8.603   0.352
  213    HG2  GLU  28           HG2      GLU  28 -10.155   6.974  -0.419
  214    HG3  GLU  28           HG1      GLU  28  -9.349   6.798   1.139
  215    H    MET  29           HN       MET  29  -6.940   7.318  -3.354
  216    HA   MET  29           HA       MET  29  -9.189   5.845  -4.544
  217    HB2  MET  29           HB2      MET  29  -6.582   6.807  -5.706
  218    HB3  MET  29           HB1      MET  29  -7.576   5.602  -6.504
  219    HG2  MET  29           HG2      MET  29  -8.063   7.708  -7.478
  220    HG3  MET  29           HG1      MET  29  -9.450   7.235  -6.501
  221    HE1  MET  29           HE1      MET  29  -9.339  11.162  -6.199
  222    HE2  MET  29           HE2      MET  29 -10.299   9.771  -6.704
  223    HE3  MET  29           HE3      MET  29  -8.852  10.219  -7.607
  224    H    ARG  30           HN       ARG  30  -9.262   3.879  -3.639
  225    HA   ARG  30           HA       ARG  30  -7.057   2.513  -2.529
  226    HB2  ARG  30           HB2      ARG  30  -9.855   1.780  -3.246
  227    HB3  ARG  30           HB1      ARG  30  -8.727   0.490  -2.867
  228    HG2  ARG  30           HG2      ARG  30  -9.597   0.849  -0.807
  229    HG3  ARG  30           HG1      ARG  30  -8.278   2.020  -0.758
  230    HD2  ARG  30           HD2      ARG  30  -9.906   3.733  -1.603
  231    HD3  ARG  30           HD1      ARG  30 -11.182   2.542  -1.366
  232    HE   ARG  30           HE       ARG  30  -9.509   3.189   0.932
  233   HH11  ARG  30          HH11      ARG  30 -12.542   3.564  -0.741
  234   HH12  ARG  30          HH12      ARG  30 -13.383   4.157   0.652
  235   HH21  ARG  30          HH21      ARG  30 -10.609   3.968   2.771
  236   HH22  ARG  30          HH22      ARG  30 -12.286   4.386   2.647
  237    H    GLU  31           HN       GLU  31  -5.354   1.908  -3.727
  238    HA   GLU  31           HA       GLU  31  -5.757   0.906  -6.436
  239    HB2  GLU  31           HB2      GLU  31  -3.028   0.857  -5.298
  240    HB3  GLU  31           HB1      GLU  31  -3.596   1.450  -6.854
  241    HG2  GLU  31           HG2      GLU  31  -4.357   3.503  -5.857
  242    HG3  GLU  31           HG1      GLU  31  -3.937   2.908  -4.252
  243    H    LYS  32           HN       LYS  32  -5.714  -1.199  -6.964
  244    HA   LYS  32           HA       LYS  32  -5.669  -3.182  -4.950
  245    HB2  LYS  32           HB2      LYS  32  -5.544  -3.366  -7.937
  246    HB3  LYS  32           HB1      LYS  32  -5.779  -4.730  -6.873
  247    HG2  LYS  32           HG2      LYS  32  -7.740  -3.064  -6.022
  248    HG3  LYS  32           HG1      LYS  32  -7.675  -2.688  -7.745
  249    HD2  LYS  32           HD2      LYS  32  -7.850  -5.109  -8.227
  250    HD3  LYS  32           HD1      LYS  32  -8.048  -5.408  -6.502
  251    HE2  LYS  32           HE2      LYS  32 -10.201  -5.350  -7.699
  252    HE3  LYS  32           HE1      LYS  32 -10.077  -4.099  -6.464
  253    HZ1  LYS  32           HZ1      LYS  32  -9.521  -2.503  -8.200
  254    HZ2  LYS  32           HZ2      LYS  32 -11.026  -3.218  -8.492
  255    HZ3  LYS  32           HZ3      LYS  32  -9.672  -3.707  -9.380
  256    H    LEU  33           HN       LEU  33  -3.630  -2.715  -4.032
  257    HA   LEU  33           HA       LEU  33  -1.209  -3.235  -5.553
  258    HB2  LEU  33           HB2      LEU  33  -1.487  -2.478  -2.655
  259    HB3  LEU  33           HB1      LEU  33  -0.043  -2.386  -3.641
  260    HG   LEU  33           HG       LEU  33  -2.521  -0.713  -4.018
  261   HD11  LEU  33          HD11      LEU  33  -1.271  -0.095  -2.021
  262   HD12  LEU  33          HD12      LEU  33  -1.141   1.138  -3.265
  263   HD13  LEU  33          HD13      LEU  33   0.197   0.039  -2.986
  264   HD21  LEU  33          HD21      LEU  33  -1.411  -1.168  -6.124
  265   HD22  LEU  33          HD22      LEU  33   0.106  -0.628  -5.424
  266   HD23  LEU  33          HD23      LEU  33  -1.204   0.518  -5.648
  267    H    CYS  34           HN       CYS  34  -0.824  -5.346  -5.854
  268    HA   CYS  34           HA       CYS  34  -1.306  -7.218  -3.668
  269    HB2  CYS  34           HB2      CYS  34  -0.733  -7.589  -6.601
  270    HB3  CYS  34           HB1      CYS  34  -0.725  -8.930  -5.466
  271    H    GLY  35           HN       GLY  35   1.138  -7.968  -6.007
  272    HA2  GLY  35           HA2      GLY  35   3.072  -8.267  -3.862
  273    HA3  GLY  35           HA1      GLY  35   3.265  -8.801  -5.524
  274    H    HIS  36           HN       HIS  36   4.311  -7.518  -6.967
  275    HA   HIS  36           HA       HIS  36   6.053  -5.545  -6.012
  276    HB2  HIS  36           HB2      HIS  36   6.442  -5.036  -8.443
  277    HB3  HIS  36           HB1      HIS  36   6.626  -6.732  -8.010
  278    HD1  HIS  36           HD1      HIS  36   4.898  -4.550 -10.362
  279    HD2  HIS  36           HD2      HIS  36   4.310  -8.335  -8.755
  280    HE1  HIS  36           HE1      HIS  36   3.251  -5.719 -11.884
  281    H    HIS  37           HN       HIS  37   2.773  -5.335  -7.167
  282    HA   HIS  37           HA       HIS  37   2.638  -2.640  -7.879
  283    HB2  HIS  37           HB2      HIS  37   0.548  -4.351  -6.520
  284    HB3  HIS  37           HB1      HIS  37   0.238  -2.758  -7.195
  285    HD1  HIS  37           HD1      HIS  37   1.829  -3.174  -9.893
  286    HD2  HIS  37           HD2      HIS  37  -0.936  -5.791  -8.243
  287    HE1  HIS  37           HE1      HIS  37   0.931  -4.557 -11.812
  288    H    PHE  38           HN       PHE  38   2.030  -4.144  -4.704
  289    HA   PHE  38           HA       PHE  38   1.632  -1.716  -3.359
  290    HB2  PHE  38           HB2      PHE  38   1.088  -4.100  -2.541
  291    HB3  PHE  38           HB1      PHE  38   2.765  -4.163  -2.017
  292    HD1  PHE  38           HD1      PHE  38   0.506  -1.228  -1.899
  293    HD2  PHE  38           HD2      PHE  38   2.518  -4.230   0.340
  294    HE1  PHE  38           HE1      PHE  38  -0.134  -0.105   0.173
  295    HE2  PHE  38           HE2      PHE  38   1.897  -3.093   2.416
  296    HZ   PHE  38           HZ       PHE  38   0.573  -1.019   2.330
  297    H    VAL  39           HN       VAL  39   4.491  -3.852  -3.183
  298    HA   VAL  39           HA       VAL  39   6.264  -2.284  -1.831
  299    HB   VAL  39           HB       VAL  39   6.795  -4.042  -4.239
  300   HG11  VAL  39          HG11      VAL  39   9.121  -4.142  -3.503
  301   HG12  VAL  39          HG12      VAL  39   8.783  -2.932  -2.265
  302   HG13  VAL  39          HG13      VAL  39   8.657  -2.508  -3.973
  303   HG21  VAL  39          HG21      VAL  39   5.804  -5.222  -2.383
  304   HG22  VAL  39          HG22      VAL  39   6.995  -4.541  -1.274
  305   HG23  VAL  39          HG23      VAL  39   7.504  -5.671  -2.528
  306    H    ARG  40           HN       ARG  40   5.206  -1.823  -5.140
  307    HA   ARG  40           HA       ARG  40   7.183   0.166  -5.778
  308    HB2  ARG  40           HB2      ARG  40   5.685  -1.325  -7.321
  309    HB3  ARG  40           HB1      ARG  40   4.515  -0.039  -7.130
  310    HG2  ARG  40           HG2      ARG  40   6.139   1.568  -8.015
  311    HG3  ARG  40           HG1      ARG  40   7.301   0.258  -8.236
  312    HD2  ARG  40           HD2      ARG  40   5.793  -0.839  -9.798
  313    HD3  ARG  40           HD1      ARG  40   4.588   0.424  -9.546
  314    HE   ARG  40           HE       ARG  40   7.149   1.376 -10.475
  315   HH11  ARG  40          HH11      ARG  40   3.996   0.201 -11.385
  316   HH12  ARG  40          HH12      ARG  40   4.033   0.940 -12.951
  317   HH21  ARG  40          HH21      ARG  40   7.203   2.353 -12.535
  318   HH22  ARG  40          HH22      ARG  40   5.854   2.163 -13.605
  319    H    ALA  41           HN       ALA  41   3.673   0.271  -5.202
  320    HA   ALA  41           HA       ALA  41   3.376   3.021  -5.000
  321    HB1  ALA  41           HB1      ALA  41   1.301   2.602  -3.944
  322    HB2  ALA  41           HB2      ALA  41   1.852   1.059  -3.286
  323    HB3  ALA  41           HB3      ALA  41   1.562   1.228  -5.020
  324    H    LEU  42           HN       LEU  42   4.922   0.758  -3.001
  325    HA   LEU  42           HA       LEU  42   4.792   2.220  -0.531
  326    HB2  LEU  42           HB2      LEU  42   6.664   0.006  -1.407
  327    HB3  LEU  42           HB1      LEU  42   6.528   0.594   0.214
  328    HG   LEU  42           HG       LEU  42   4.897  -1.355  -1.215
  329   HD11  LEU  42          HD11      LEU  42   4.603  -2.248   1.005
  330   HD12  LEU  42          HD12      LEU  42   5.332  -0.801   1.700
  331   HD13  LEU  42          HD13      LEU  42   6.303  -1.889   0.705
  332   HD21  LEU  42          HD21      LEU  42   3.258   0.419  -1.098
  333   HD22  LEU  42          HD22      LEU  42   3.578   0.598   0.626
  334   HD23  LEU  42          HD23      LEU  42   2.878  -0.887   0.015
  335    H    VAL  43           HN       VAL  43   7.373   1.472  -2.852
  336    HA   VAL  43           HA       VAL  43   9.336   3.161  -1.851
  337    HB   VAL  43           HB       VAL  43   9.324   1.306  -3.739
  338   HG11  VAL  43          HG11      VAL  43   9.069   3.875  -5.271
  339   HG12  VAL  43          HG12      VAL  43   8.061   2.435  -5.387
  340   HG13  VAL  43          HG13      VAL  43   9.728   2.390  -5.952
  341   HG21  VAL  43          HG21      VAL  43  11.527   2.073  -4.438
  342   HG22  VAL  43          HG22      VAL  43  11.294   2.203  -2.695
  343   HG23  VAL  43          HG23      VAL  43  11.209   3.646  -3.706
  344    H    ARG  44           HN       ARG  44   6.416   3.925  -3.321
  345    HA   ARG  44           HA       ARG  44   7.253   6.393  -4.550
  346    HB2  ARG  44           HB2      ARG  44   5.494   5.138  -5.594
  347    HB3  ARG  44           HB1      ARG  44   4.555   5.178  -4.115
  348    HG2  ARG  44           HG2      ARG  44   4.416   7.641  -4.322
  349    HG3  ARG  44           HG1      ARG  44   5.229   7.509  -5.879
  350    HD2  ARG  44           HD2      ARG  44   2.590   6.253  -5.139
  351    HD3  ARG  44           HD1      ARG  44   2.814   7.665  -6.171
  352    HE   ARG  44           HE       ARG  44   4.296   5.536  -7.229
  353   HH11  ARG  44          HH11      ARG  44   0.976   6.482  -6.741
  354   HH12  ARG  44          HH12      ARG  44   0.391   5.595  -8.109
  355   HH21  ARG  44          HH21      ARG  44   3.531   4.367  -9.028
  356   HH22  ARG  44          HH22      ARG  44   1.840   4.392  -9.405
  357    H    VAL  45           HN       VAL  45   5.038   5.579  -1.857
  358    HA   VAL  45           HA       VAL  45   5.005   8.363  -1.060
  359    HB   VAL  45           HB       VAL  45   3.153   7.923   0.171
  360   HG11  VAL  45          HG11      VAL  45   2.698   7.149  -2.080
  361   HG12  VAL  45          HG12      VAL  45   1.789   6.199  -0.891
  362   HG13  VAL  45          HG13      VAL  45   3.241   5.524  -1.640
  363   HG21  VAL  45          HG21      VAL  45   4.366   5.253   0.805
  364   HG22  VAL  45          HG22      VAL  45   2.671   5.610   1.149
  365   HG23  VAL  45          HG23      VAL  45   3.951   6.568   1.906
  366    H    CYS  46           HN       CYS  46   6.308   5.336   0.234
  367    HA   CYS  46           HA       CYS  46   7.621   6.970   2.295
  368    HB2  CYS  46           HB2      CYS  46   6.007   5.234   3.148
  369    HB3  CYS  46           HB1      CYS  46   7.080   4.003   2.496
  370    H    GLY  47           HN       GLY  47   9.242   7.420   0.634
  371    HA2  GLY  47           HA2      GLY  47  10.890   5.540  -0.572
  372    HA3  GLY  47           HA1      GLY  47  11.418   7.148  -0.086
  373    H    GLY  48           HN       GLY  48  11.303   3.786   0.761
  374    HA2  GLY  48           HA2      GLY  48  12.686   4.217   3.293
  375    HA3  GLY  48           HA1      GLY  48  12.077   2.688   2.690
  376    HA   PRO  49           HA       PRO  49  16.651   2.972   1.812
  377    HB2  PRO  49           HB2      PRO  49  17.522   1.631   4.114
  378    HB3  PRO  49           HB1      PRO  49  17.609   3.367   3.824
  379    HG2  PRO  49           HG2      PRO  49  16.018   2.037   5.749
  380    HG3  PRO  49           HG1      PRO  49  15.965   3.754   5.322
  381    HD2  PRO  49           HD2      PRO  49  14.190   1.539   4.472
  382    HD3  PRO  49           HD1      PRO  49  13.833   3.268   4.639
  383    H    LYS  50           HN       LYS  50  14.330   0.633   2.387
  384    HA   LYS  50           HA       LYS  50  16.074  -1.643   1.867
  385    HB2  LYS  50           HB2      LYS  50  13.113  -1.436   2.422
  386    HB3  LYS  50           HB1      LYS  50  13.911  -2.947   2.016
  387    HG2  LYS  50           HG2      LYS  50  13.755  -2.947   4.346
  388    HG3  LYS  50           HG1      LYS  50  15.429  -2.506   4.004
  389    HD2  LYS  50           HD2      LYS  50  14.628  -1.063   5.733
  390    HD3  LYS  50           HD1      LYS  50  14.766  -0.111   4.255
  391    HE2  LYS  50           HE2      LYS  50  12.693   0.421   5.398
  392    HE3  LYS  50           HE1      LYS  50  12.351  -0.389   3.870
  393    HZ1  LYS  50           HZ       LYS  50  12.484  -2.268   5.990
  394    H    TRP  51           HN       TRP  51  13.055  -0.379   0.463
  395    HA   TRP  51           HA       TRP  51  13.474  -1.793  -1.998
  396    HB2  TRP  51           HB2      TRP  51  11.477  -0.131  -2.641
  397    HB3  TRP  51           HB1      TRP  51  11.223  -1.593  -1.698
  398    HD1  TRP  51           HD1      TRP  51  12.116   2.102  -0.819
  399    HE1  TRP  51           HE1      TRP  51  10.685   2.775   1.212
  400    HE3  TRP  51           HE3      TRP  51   9.613  -2.283  -0.087
  401    HZ2  TRP  51           HZ2      TRP  51   8.769   1.618   2.904
  402    HZ3  TRP  51           HZ3      TRP  51   7.994  -2.421   1.760
  403    HH2  TRP  51           HH2      TRP  51   7.565  -0.509   3.222
  Start of MODEL   17
    1    H1   ALA 106           HT1      ALA 106  -2.649  -4.286   8.686
    2    H2   ALA 106           HT2      ALA 106  -1.648  -3.443   7.614
    3    H3   ALA 106           HT3      ALA 106  -3.055  -4.190   7.046
    4    HA   ALA 106           HA       ALA 106  -2.968  -1.937   8.966
    5    HB1  ALA 106           HB1      ALA 106  -3.772  -0.545   7.163
    6    HB2  ALA 106           HB2      ALA 106  -3.789  -1.925   6.065
    7    HB3  ALA 106           HB3      ALA 106  -2.257  -1.312   6.687
    8    H    ALA 107           HN       ALA 107  -4.501  -2.691  10.374
    9    HA   ALA 107           HA       ALA 107  -6.560  -3.194  11.202
   10    HB1  ALA 107           HB1      ALA 107  -8.487  -2.194  10.092
   11    HB2  ALA 107           HB2      ALA 107  -7.516  -1.899   8.650
   12    HB3  ALA 107           HB3      ALA 107  -7.138  -1.061  10.155
   13    H    ALA 108           HN       ALA 108  -5.168  -5.108   9.382
   14    HA   ALA 108           HA       ALA 108  -7.432  -6.904   9.012
   15    HB1  ALA 108           HB1      ALA 108  -6.754  -7.520   6.739
   16    HB2  ALA 108           HB2      ALA 108  -5.523  -6.257   6.769
   17    HB3  ALA 108           HB3      ALA 108  -7.232  -5.825   6.842
   18    H    THR 109           HN       THR 109  -6.422  -9.092   8.044
   19    HA   THR 109           HA       THR 109  -4.771 -10.115  10.060
   20    HB   THR 109           HB       THR 109  -6.222 -11.623   8.912
   21    HG1  THR 109           HG1      THR 109  -3.934 -12.676   7.835
   22   HG21  THR 109          HG21      THR 109  -5.776 -10.218   6.709
   23   HG22  THR 109          HG22      THR 109  -6.384 -11.872   6.657
   24   HG23  THR 109          HG23      THR 109  -4.670 -11.551   6.388
   25    H    ASN 110           HN       ASN 110  -4.028  -9.096   6.755
   26    HA   ASN 110           HA       ASN 110  -1.232  -8.808   7.506
   27    HB2  ASN 110           HB2      ASN 110  -2.165 -10.561   5.228
   28    HB3  ASN 110           HB1      ASN 110  -0.509  -9.987   5.397
   29   HD21  ASN 110          HD21      ASN 110   0.772 -10.784   7.065
   30   HD22  ASN 110          HD22      ASN 110   0.366 -12.228   7.920
   31    HA   PRO 111           HA       PRO 111  -1.464  -5.246   4.915
   32    HB2  PRO 111           HB2      PRO 111   1.285  -5.607   3.994
   33    HB3  PRO 111           HB1      PRO 111   0.619  -4.386   5.070
   34    HG2  PRO 111           HG2      PRO 111   2.282  -6.335   5.930
   35    HG3  PRO 111           HG1      PRO 111   1.014  -5.634   6.953
   36    HD2  PRO 111           HD2      PRO 111   1.008  -8.218   5.430
   37    HD3  PRO 111           HD1      PRO 111   0.419  -7.879   7.071
   38    H    ALA 112           HN       ALA 112   1.053  -6.584   2.943
   39    HA   ALA 112           HA       ALA 112   0.127  -6.099   0.490
   40    HB1  ALA 112           HB1      ALA 112   1.483  -8.683   1.239
   41    HB2  ALA 112           HB2      ALA 112   2.293  -7.142   0.955
   42    HB3  ALA 112           HB3      ALA 112   1.443  -7.949  -0.364
   43    H    ARG 113           HN       ARG 113  -0.926  -8.860   2.442
   44    HA   ARG 113           HA       ARG 113  -2.416 -10.183   0.474
   45    HB2  ARG 113           HB2      ARG 113  -2.476 -10.120   3.464
   46    HB3  ARG 113           HB1      ARG 113  -3.765 -10.936   2.597
   47    HG2  ARG 113           HG2      ARG 113  -2.126 -12.556   3.193
   48    HG3  ARG 113           HG1      ARG 113  -2.040 -12.311   1.449
   49    HD2  ARG 113           HD2      ARG 113  -0.140 -10.761   1.809
   50    HD3  ARG 113           HD1      ARG 113  -0.197 -11.143   3.529
   51    HE   ARG 113           HE       ARG 113   0.298 -13.215   1.495
   52   HH11  ARG 113          HH11      ARG 113   1.142 -11.569   4.449
   53   HH12  ARG 113          HH12      ARG 113   2.425 -12.662   4.843
   54   HH21  ARG 113          HH21      ARG 113   1.988 -14.659   2.006
   55   HH22  ARG 113          HH22      ARG 113   2.907 -14.418   3.454
   56    H    TYR 114           HN       TYR 114  -3.474  -7.835   2.937
   57    HA   TYR 114           HA       TYR 114  -6.146  -7.688   1.925
   58    HB2  TYR 114           HB2      TYR 114  -5.909  -7.166   4.211
   59    HB3  TYR 114           HB1      TYR 114  -4.566  -6.068   3.915
   60    HD1  TYR 114           HD1      TYR 114  -8.205  -6.513   3.649
   61    HD2  TYR 114           HD2      TYR 114  -4.969  -3.765   3.429
   62    HE1  TYR 114           HE1      TYR 114  -9.793  -4.653   3.674
   63    HE2  TYR 114           HE2      TYR 114  -6.554  -1.890   3.450
   64    HH   TYR 114           HH       TYR 114  -9.841  -2.266   4.237
   65    H    CYS 115           HN       CYS 115  -3.317  -5.579   1.710
   66    HA   CYS 115           HA       CYS 115  -4.392  -3.467   0.293
   67    HB2  CYS 115           HB2      CYS 115  -1.628  -4.646   0.406
   68    HB3  CYS 115           HB1      CYS 115  -1.970  -3.236  -0.590
   69    H    CYS 116           HN       CYS 116  -3.569  -6.655  -0.820
   70    HA   CYS 116           HA       CYS 116  -3.586  -5.879  -3.610
   71    HB2  CYS 116           HB2      CYS 116  -2.095  -7.679  -2.841
   72    HB3  CYS 116           HB1      CYS 116  -3.493  -8.628  -2.350
   73    H    LEU 117           HN       LEU 117  -5.436  -8.371  -1.857
   74    HA   LEU 117           HA       LEU 117  -7.439  -8.727  -3.706
   75    HB2  LEU 117           HB2      LEU 117  -7.531  -8.955  -0.721
   76    HB3  LEU 117           HB1      LEU 117  -8.837  -9.486  -1.759
   77    HG   LEU 117           HG       LEU 117  -6.018 -10.566  -1.852
   78   HD11  LEU 117          HD11      LEU 117  -7.125 -11.169   0.231
   79   HD12  LEU 117          HD12      LEU 117  -6.962 -12.572  -0.826
   80   HD13  LEU 117          HD13      LEU 117  -8.520 -11.761  -0.670
   81   HD21  LEU 117          HD21      LEU 117  -6.987 -12.297  -3.278
   82   HD22  LEU 117          HD22      LEU 117  -7.183 -10.698  -3.992
   83   HD23  LEU 117          HD23      LEU 117  -8.551 -11.485  -3.207
   84    H    SER 118           HN       SER 118  -8.146  -7.014  -0.668
   85    HA   SER 118           HA       SER 118 -10.401  -5.734  -1.737
   86    HB2  SER 118           HB2      SER 118  -8.762  -5.000   0.700
   87    HB3  SER 118           HB1      SER 118 -10.394  -4.445   0.349
   88    HG   SER 118           HG       SER 118  -9.882  -7.194   0.406
   89    H    GLY 119           HN       GLY 119  -7.426  -4.140  -0.576
   90    HA2  GLY 119           HA2      GLY 119  -6.492  -2.781  -2.652
   91    HA3  GLY 119           HA1      GLY 119  -7.982  -1.900  -2.361
   92    H    CYS 120           HN       CYS 120  -5.395  -0.766  -2.218
   93    HA   CYS 120           HA       CYS 120  -5.480   0.194   0.534
   94    HB2  CYS 120           HB2      CYS 120  -3.265  -1.369  -0.634
   95    HB3  CYS 120           HB1      CYS 120  -2.784   0.101   0.207
   96    H    THR 121           HN       THR 121  -5.685   2.309   0.389
   97    HA   THR 121           HA       THR 121  -4.970   3.758  -1.977
   98    HB   THR 121           HB       THR 121  -5.993   5.629  -1.009
   99    HG1  THR 121           HG1      THR 121  -6.059   6.005   1.168
  100   HG21  THR 121          HG21      THR 121  -7.518   3.647  -1.303
  101   HG22  THR 121          HG22      THR 121  -8.078   4.858  -0.150
  102   HG23  THR 121          HG23      THR 121  -7.357   3.358   0.429
  103    H    GLN 122           HN       GLN 122  -3.737   5.924  -1.641
  104    HA   GLN 122           HA       GLN 122  -1.063   5.343  -1.094
  105    HB2  GLN 122           HB2      GLN 122  -1.936   7.260  -2.479
  106    HB3  GLN 122           HB1      GLN 122  -2.321   8.093  -0.979
  107    HG2  GLN 122           HG2      GLN 122   0.097   7.875  -0.357
  108    HG3  GLN 122           HG1      GLN 122   0.388   7.295  -1.994
  109   HE21  GLN 122          HE21      GLN 122   1.410   9.659  -0.656
  110   HE22  GLN 122          HE22      GLN 122   0.929  11.007  -1.622
  111    H    GLN 123           HN       GLN 123  -3.584   6.641   0.986
  112    HA   GLN 123           HA       GLN 123  -1.821   7.341   3.128
  113    HB2  GLN 123           HB2      GLN 123  -4.809   6.862   3.083
  114    HB3  GLN 123           HB1      GLN 123  -3.923   7.484   4.468
  115    HG2  GLN 123           HG2      GLN 123  -3.251   9.436   3.176
  116    HG3  GLN 123           HG1      GLN 123  -4.116   8.810   1.773
  117   HE21  GLN 123          HE21      GLN 123  -4.476  11.301   3.272
  118   HE22  GLN 123          HE22      GLN 123  -6.123  11.305   3.793
  119    H    ASP 124           HN       ASP 124  -3.922   4.575   2.425
  120    HA   ASP 124           HA       ASP 124  -3.305   3.177   4.825
  121    HB2  ASP 124           HB2      ASP 124  -4.452   2.189   2.205
  122    HB3  ASP 124           HB1      ASP 124  -4.369   1.237   3.685
  123    H    LEU 125           HN       LEU 125  -1.480   3.824   2.094
  124    HA   LEU 125           HA       LEU 125   0.066   1.373   2.197
  125    HB2  LEU 125           HB2      LEU 125   0.006   1.847   0.005
  126    HB3  LEU 125           HB1      LEU 125  -0.646   3.434   0.303
  127    HG   LEU 125           HG       LEU 125   1.712   4.150   0.792
  128   HD11  LEU 125          HD11      LEU 125   3.178   2.485  -0.732
  129   HD12  LEU 125          HD12      LEU 125   2.064   1.360   0.035
  130   HD13  LEU 125          HD13      LEU 125   3.099   2.389   1.027
  131   HD21  LEU 125          HD21      LEU 125   0.557   4.766  -1.231
  132   HD22  LEU 125          HD22      LEU 125   0.984   3.223  -1.939
  133   HD23  LEU 125          HD23      LEU 125   2.241   4.386  -1.585
  134    H    LEU 126           HN       LEU 126   0.328   4.843   2.413
  135    HA   LEU 126           HA       LEU 126   2.862   5.379   3.088
  136    HB2  LEU 126           HB2      LEU 126   0.612   6.751   2.956
  137    HB3  LEU 126           HB1      LEU 126   0.682   6.607   4.697
  138    HG   LEU 126           HG       LEU 126   2.947   7.686   3.086
  139   HD11  LEU 126          HD11      LEU 126   2.114   9.934   3.745
  140   HD12  LEU 126          HD12      LEU 126   0.635   9.170   4.329
  141   HD13  LEU 126          HD13      LEU 126   1.049   9.094   2.617
  142   HD21  LEU 126          HD21      LEU 126   3.278   8.830   5.405
  143   HD22  LEU 126          HD22      LEU 126   3.751   7.145   5.194
  144   HD23  LEU 126          HD23      LEU 126   2.222   7.537   5.988
  145    H    THR 127           HN       THR 127   0.338   4.946   5.538
  146    HA   THR 127           HA       THR 127   2.072   4.863   7.718
  147    HB   THR 127           HB       THR 127  -0.263   5.387   7.972
  148    HG1  THR 127           HG1      THR 127   1.115   3.988   9.601
  149   HG21  THR 127          HG21      THR 127  -1.968   3.623   7.854
  150   HG22  THR 127          HG22      THR 127  -0.739   2.487   7.299
  151   HG23  THR 127          HG23      THR 127  -1.172   3.872   6.300
  152    H    LEU 128           HN       LEU 128   1.412   2.444   5.399
  153    HA   LEU 128           HA       LEU 128   1.963   0.213   7.096
  154    HB2  LEU 128           HB2      LEU 128   1.457   0.605   4.238
  155    HB3  LEU 128           HB1      LEU 128   2.605  -0.662   4.582
  156    HG   LEU 128           HG       LEU 128  -0.016  -0.566   5.996
  157   HD11  LEU 128          HD11      LEU 128   0.144  -0.630   3.250
  158   HD12  LEU 128          HD12      LEU 128  -1.184  -1.249   4.220
  159   HD13  LEU 128          HD13      LEU 128   0.097  -2.341   3.685
  160   HD21  LEU 128          HD21      LEU 128   1.876  -2.049   6.693
  161   HD22  LEU 128          HD22      LEU 128   1.712  -2.840   5.127
  162   HD23  LEU 128          HD23      LEU 128   0.379  -2.890   6.279
  163    H    CYS 129           HN       CYS 129   3.892   1.984   4.700
  164    HA   CYS 129           HA       CYS 129   6.168   0.976   4.313
  165    HB2  CYS 129           HB2      CYS 129   6.018   3.284   3.958
  166    HB3  CYS 129           HB1      CYS 129   5.829   3.623   5.671
  167    HA   PRO 130           HA       PRO 130   8.192   1.187   8.815
  168    HB2  PRO 130           HB2      PRO 130   5.631   0.915  10.318
  169    HB3  PRO 130           HB1      PRO 130   7.117   1.758  10.770
  170    HG2  PRO 130           HG2      PRO 130   4.960   3.096   9.932
  171    HG3  PRO 130           HG1      PRO 130   6.599   3.621   9.511
  172    HD2  PRO 130           HD2      PRO 130   4.546   2.298   7.816
  173    HD3  PRO 130           HD1      PRO 130   5.823   3.438   7.368
  174    H    TYR 131           HN       TYR 131   8.544  -0.863   7.615
  175    HA   TYR 131           HA       TYR 131   8.070  -3.103   9.219
  176    HB2  TYR 131           HB2      TYR 131   6.492  -4.401   8.020
  177    HB3  TYR 131           HB1      TYR 131   5.753  -2.819   8.215
  178    HD1  TYR 131           HD1      TYR 131   7.198  -5.197   5.829
  179    HD2  TYR 131           HD2      TYR 131   5.365  -1.389   6.287
  180    HE1  TYR 131           HE1      TYR 131   6.799  -5.100   3.405
  181    HE2  TYR 131           HE2      TYR 131   4.973  -1.267   3.871
  182    HH   TYR 131           HH       TYR 131   5.289  -3.970   1.834
  183    H    GLY 132           HN       GLY 132   8.813  -1.854   6.019
  184    HA2  GLY 132           HA2      GLY 132  11.037  -3.769   5.884
  185    HA3  GLY 132           HA1      GLY 132   9.940  -3.647   4.518
  186    H2   PRO  25           HT1      PRO  25 -11.785  14.599  -4.580
  187    H3   PRO  25           HT2      PRO  25 -13.364  14.349  -4.248
  188    HA   PRO  25           HA       PRO  25 -13.764  13.223  -6.023
  189    HB2  PRO  25           HB2      PRO  25 -11.879  14.074  -7.986
  190    HB3  PRO  25           HB1      PRO  25 -13.631  14.316  -7.977
  191    HG2  PRO  25           HG2      PRO  25 -11.472  16.132  -7.083
  192    HG3  PRO  25           HG1      PRO  25 -13.089  16.519  -7.697
  193    HD2  PRO  25           HD2      PRO  25 -12.505  16.816  -5.107
  194    HD3  PRO  25           HD1      PRO  25 -14.090  16.204  -5.613
  195    H    THR  26           HN       THR  26 -11.554  13.007  -4.011
  196    HA   THR  26           HA       THR  26 -10.182  10.764  -5.276
  197    HB   THR  26           HB       THR  26  -8.704  12.803  -3.715
  198    HG1  THR  26           HG1      THR  26  -8.116  12.797  -6.376
  199   HG21  THR  26          HG21      THR  26  -7.524  10.728  -3.755
  200   HG22  THR  26          HG22      THR  26  -6.721  11.781  -4.918
  201   HG23  THR  26          HG23      THR  26  -7.825  10.526  -5.480
  202    HA   PRO  27           HA       PRO  27 -11.299  10.591  -0.552
  203    HB2  PRO  27           HB2      PRO  27 -13.578   9.062  -0.829
  204    HB3  PRO  27           HB1      PRO  27 -13.566  10.815  -0.623
  205    HG2  PRO  27           HG2      PRO  27 -13.870   9.200  -3.113
  206    HG3  PRO  27           HG1      PRO  27 -14.667  10.714  -2.651
  207    HD2  PRO  27           HD2      PRO  27 -12.582  10.638  -4.399
  208    HD3  PRO  27           HD1      PRO  27 -12.854  12.006  -3.324
  209    H    GLU  28           HN       GLU  28  -9.540   9.246  -0.324
  210    HA   GLU  28           HA       GLU  28  -8.265   7.348  -0.374
  211    HB2  GLU  28           HB2      GLU  28 -10.209   5.456   0.424
  212    HB3  GLU  28           HB1      GLU  28  -9.026   6.283   1.421
  213    HG2  GLU  28           HG2      GLU  28 -10.611   8.118   1.762
  214    HG3  GLU  28           HG1      GLU  28 -11.799   7.264   0.778
  215    H    MET  29           HN       MET  29  -7.861   7.086  -2.584
  216    HA   MET  29           HA       MET  29  -9.641   5.326  -4.091
  217    HB2  MET  29           HB2      MET  29  -8.875   7.348  -5.220
  218    HB3  MET  29           HB1      MET  29  -7.199   6.893  -4.946
  219    HG2  MET  29           HG2      MET  29  -7.513   4.924  -6.371
  220    HG3  MET  29           HG1      MET  29  -9.179   5.416  -6.666
  221    HE1  MET  29           HE1      MET  29  -6.927   4.804  -8.913
  222    HE2  MET  29           HE2      MET  29  -7.265   6.091 -10.070
  223    HE3  MET  29           HE3      MET  29  -8.595   5.213  -9.316
  224    H    ARG  30           HN       ARG  30  -9.275   3.289  -3.273
  225    HA   ARG  30           HA       ARG  30  -6.740   2.216  -2.665
  226    HB2  ARG  30           HB2      ARG  30  -9.385   0.929  -3.306
  227    HB3  ARG  30           HB1      ARG  30  -7.961  -0.015  -2.887
  228    HG2  ARG  30           HG2      ARG  30  -8.858   0.144  -0.825
  229    HG3  ARG  30           HG1      ARG  30  -7.992   1.681  -0.819
  230    HD2  ARG  30           HD2      ARG  30 -10.060   2.770  -1.675
  231    HD3  ARG  30           HD1      ARG  30 -10.896   1.232  -1.482
  232    HE   ARG  30           HE       ARG  30  -9.590   2.326   0.879
  233   HH11  ARG  30          HH11      ARG  30 -12.535   1.832  -0.919
  234   HH12  ARG  30          HH12      ARG  30 -13.567   2.114   0.443
  235   HH21  ARG  30          HH21      ARG  30 -10.945   2.696   2.681
  236   HH22  ARG  30          HH22      ARG  30 -12.663   2.607   2.488
  237    H    GLU  31           HN       GLU  31  -5.246   1.157  -3.864
  238    HA   GLU  31           HA       GLU  31  -5.821   0.791  -6.729
  239    HB2  GLU  31           HB2      GLU  31  -3.188   1.543  -5.477
  240    HB3  GLU  31           HB1      GLU  31  -3.492   1.327  -7.191
  241    HG2  GLU  31           HG2      GLU  31  -5.040   3.220  -7.155
  242    HG3  GLU  31           HG1      GLU  31  -4.717   3.443  -5.437
  243    H    LYS  32           HN       LYS  32  -6.238  -1.223  -4.774
  244    HA   LYS  32           HA       LYS  32  -5.412  -3.213  -3.935
  245    HB2  LYS  32           HB2      LYS  32  -5.401  -3.581  -6.893
  246    HB3  LYS  32           HB1      LYS  32  -5.679  -4.791  -5.667
  247    HG2  LYS  32           HG2      LYS  32  -7.608  -3.152  -4.958
  248    HG3  LYS  32           HG1      LYS  32  -7.493  -2.694  -6.658
  249    HD2  LYS  32           HD2      LYS  32  -7.661  -5.126  -7.218
  250    HD3  LYS  32           HD1      LYS  32  -8.018  -5.431  -5.522
  251    HE2  LYS  32           HE2      LYS  32 -10.068  -5.295  -6.845
  252    HE3  LYS  32           HE1      LYS  32  -9.979  -3.995  -5.657
  253    HZ1  LYS  32           HZ1      LYS  32  -9.340  -3.751  -8.548
  254    HZ2  LYS  32           HZ2      LYS  32  -9.231  -2.502  -7.413
  255    HZ3  LYS  32           HZ3      LYS  32 -10.737  -3.173  -7.790
  256    H    LEU  33           HN       LEU  33  -3.325  -2.125  -3.367
  257    HA   LEU  33           HA       LEU  33  -0.998  -2.568  -4.937
  258    HB2  LEU  33           HB2      LEU  33  -1.095  -2.093  -1.964
  259    HB3  LEU  33           HB1      LEU  33   0.213  -1.740  -3.065
  260    HG   LEU  33           HG       LEU  33  -2.406  -0.290  -2.851
  261   HD11  LEU  33          HD11      LEU  33   0.419   0.696  -2.557
  262   HD12  LEU  33          HD12      LEU  33  -0.630   0.256  -1.207
  263   HD13  LEU  33          HD13      LEU  33  -1.064   1.604  -2.260
  264   HD21  LEU  33          HD21      LEU  33  -1.866  -0.514  -5.195
  265   HD22  LEU  33          HD22      LEU  33  -0.241   0.065  -4.879
  266   HD23  LEU  33          HD23      LEU  33  -1.608   1.144  -4.658
  267    H    CYS  34           HN       CYS  34  -0.641  -4.672  -5.464
  268    HA   CYS  34           HA       CYS  34  -0.800  -6.750  -3.451
  269    HB2  CYS  34           HB2      CYS  34  -0.101  -6.894  -6.389
  270    HB3  CYS  34           HB1      CYS  34  -0.371  -8.272  -5.334
  271    H    GLY  35           HN       GLY  35   1.160  -8.515  -4.202
  272    HA2  GLY  35           HA2      GLY  35   3.363  -7.740  -2.732
  273    HA3  GLY  35           HA1      GLY  35   3.374  -9.032  -3.920
  274    H    HIS  36           HN       HIS  36   2.590  -6.737  -5.909
  275    HA   HIS  36           HA       HIS  36   5.365  -5.833  -6.319
  276    HB2  HIS  36           HB2      HIS  36   4.614  -7.380  -8.051
  277    HB3  HIS  36           HB1      HIS  36   3.219  -6.359  -8.370
  278    HD1  HIS  36           HD1      HIS  36   3.524  -4.627 -10.164
  279    HD2  HIS  36           HD2      HIS  36   7.136  -6.042  -8.680
  280    HE1  HIS  36           HE1      HIS  36   5.333  -3.599 -11.601
  281    H    HIS  37           HN       HIS  37   1.979  -4.888  -6.928
  282    HA   HIS  37           HA       HIS  37   2.541  -2.212  -7.595
  283    HB2  HIS  37           HB2      HIS  37  -0.001  -3.268  -6.345
  284    HB3  HIS  37           HB1      HIS  37   0.175  -1.798  -7.291
  285    HD1  HIS  37           HD1      HIS  37  -0.353  -5.450  -7.632
  286    HD2  HIS  37           HD2      HIS  37   0.565  -2.213 -10.069
  287    HE1  HIS  37           HE1      HIS  37  -0.731  -6.223 -10.009
  288    H    PHE  38           HN       PHE  38   2.101  -3.821  -4.518
  289    HA   PHE  38           HA       PHE  38   1.907  -1.396  -3.000
  290    HB2  PHE  38           HB2      PHE  38   0.936  -3.539  -2.202
  291    HB3  PHE  38           HB1      PHE  38   2.555  -4.202  -2.053
  292    HD1  PHE  38           HD1      PHE  38   2.189  -0.719  -1.130
  293    HD2  PHE  38           HD2      PHE  38   1.892  -4.713   0.308
  294    HE1  PHE  38           HE1      PHE  38   2.363   0.080   1.188
  295    HE2  PHE  38           HE2      PHE  38   2.078  -3.913   2.606
  296    HZ   PHE  38           HZ       PHE  38   2.313  -1.513   3.047
  297    H    VAL  39           HN       VAL  39   4.454  -3.638  -3.908
  298    HA   VAL  39           HA       VAL  39   6.509  -2.597  -2.302
  299    HB   VAL  39           HB       VAL  39   6.462  -4.138  -4.877
  300   HG11  VAL  39          HG11      VAL  39   8.916  -4.308  -4.798
  301   HG12  VAL  39          HG12      VAL  39   8.945  -3.083  -3.529
  302   HG13  VAL  39          HG13      VAL  39   8.365  -2.669  -5.143
  303   HG21  VAL  39          HG21      VAL  39   6.018  -5.271  -2.739
  304   HG22  VAL  39          HG22      VAL  39   7.602  -4.759  -2.156
  305   HG23  VAL  39          HG23      VAL  39   7.480  -5.867  -3.523
  306    H    ARG  40           HN       ARG  40   5.272  -1.668  -5.459
  307    HA   ARG  40           HA       ARG  40   7.280   0.327  -5.931
  308    HB2  ARG  40           HB2      ARG  40   5.622  -1.087  -7.527
  309    HB3  ARG  40           HB1      ARG  40   4.728   0.421  -7.417
  310    HG2  ARG  40           HG2      ARG  40   6.789   1.611  -8.118
  311    HG3  ARG  40           HG1      ARG  40   7.547   0.044  -8.393
  312    HD2  ARG  40           HD2      ARG  40   5.741  -0.504  -9.992
  313    HD3  ARG  40           HD1      ARG  40   5.082   1.116  -9.764
  314    HE   ARG  40           HE       ARG  40   7.781   1.324 -10.510
  315   HH11  ARG  40          HH11      ARG  40   4.700   0.385 -11.842
  316   HH12  ARG  40          HH12      ARG  40   5.128   0.812 -13.466
  317   HH21  ARG  40          HH21      ARG  40   8.351   1.886 -12.643
  318   HH22  ARG  40          HH22      ARG  40   7.204   1.663 -13.921
  319    H    ALA  41           HN       ALA  41   3.746   0.478  -5.461
  320    HA   ALA  41           HA       ALA  41   3.396   3.178  -5.231
  321    HB1  ALA  41           HB1      ALA  41   1.347   2.757  -4.255
  322    HB2  ALA  41           HB2      ALA  41   1.957   1.392  -3.318
  323    HB3  ALA  41           HB3      ALA  41   1.688   1.222  -5.056
  324    H    LEU  42           HN       LEU  42   4.937   1.029  -2.993
  325    HA   LEU  42           HA       LEU  42   4.776   2.848  -0.800
  326    HB2  LEU  42           HB2      LEU  42   4.687   0.383  -0.612
  327    HB3  LEU  42           HB1      LEU  42   6.337   0.315  -1.157
  328    HG   LEU  42           HG       LEU  42   7.160   0.827   0.806
  329   HD11  LEU  42          HD11      LEU  42   5.791   2.305   2.456
  330   HD12  LEU  42          HD12      LEU  42   4.912   2.701   0.986
  331   HD13  LEU  42          HD13      LEU  42   6.632   3.044   1.088
  332   HD21  LEU  42          HD21      LEU  42   5.674  -1.033   1.272
  333   HD22  LEU  42          HD22      LEU  42   4.368   0.099   1.610
  334   HD23  LEU  42          HD23      LEU  42   5.769   0.033   2.676
  335    H    VAL  43           HN       VAL  43   7.327   1.642  -3.000
  336    HA   VAL  43           HA       VAL  43   9.432   3.149  -1.980
  337    HB   VAL  43           HB       VAL  43   9.292   1.353  -3.948
  338   HG11  VAL  43          HG11      VAL  43   9.520   3.967  -5.423
  339   HG12  VAL  43          HG12      VAL  43   8.128   2.889  -5.473
  340   HG13  VAL  43          HG13      VAL  43   9.678   2.353  -6.115
  341   HG21  VAL  43          HG21      VAL  43  11.576   1.823  -4.428
  342   HG22  VAL  43          HG22      VAL  43  11.279   2.221  -2.737
  343   HG23  VAL  43          HG23      VAL  43  11.391   3.507  -3.936
  344    H    ARG  44           HN       ARG  44   6.592   4.116  -3.454
  345    HA   ARG  44           HA       ARG  44   7.558   6.596  -4.571
  346    HB2  ARG  44           HB2      ARG  44   5.810   5.487  -5.756
  347    HB3  ARG  44           HB1      ARG  44   4.834   5.382  -4.304
  348    HG2  ARG  44           HG2      ARG  44   4.704   7.861  -4.286
  349    HG3  ARG  44           HG1      ARG  44   5.520   7.863  -5.844
  350    HD2  ARG  44           HD2      ARG  44   3.715   6.484  -6.780
  351    HD3  ARG  44           HD1      ARG  44   2.889   6.533  -5.224
  352    HE   ARG  44           HE       ARG  44   3.448   9.136  -6.287
  353   HH11  ARG  44          HH11      ARG  44   1.224   6.455  -6.331
  354   HH12  ARG  44          HH12      ARG  44  -0.124   7.413  -6.842
  355   HH21  ARG  44          HH21      ARG  44   1.677  10.409  -6.962
  356   HH22  ARG  44          HH22      ARG  44   0.133   9.661  -7.200
  357    H    VAL  45           HN       VAL  45   5.251   5.700  -1.988
  358    HA   VAL  45           HA       VAL  45   5.113   8.427  -1.106
  359    HB   VAL  45           HB       VAL  45   3.450   7.775   0.407
  360   HG11  VAL  45          HG11      VAL  45   2.682   7.682  -1.861
  361   HG12  VAL  45          HG12      VAL  45   1.934   6.354  -0.952
  362   HG13  VAL  45          HG13      VAL  45   3.291   6.034  -2.042
  363   HG21  VAL  45          HG21      VAL  45   4.452   4.955   0.094
  364   HG22  VAL  45          HG22      VAL  45   2.953   5.395   0.912
  365   HG23  VAL  45          HG23      VAL  45   4.501   5.955   1.546
  366    H    CYS  46           HN       CYS  46   6.490   5.442   0.315
  367    HA   CYS  46           HA       CYS  46   7.762   7.183   2.321
  368    HB2  CYS  46           HB2      CYS  46   6.253   5.464   3.263
  369    HB3  CYS  46           HB1      CYS  46   7.236   4.210   2.522
  370    H    GLY  47           HN       GLY  47   8.423   5.273  -0.394
  371    HA2  GLY  47           HA2      GLY  47  10.387   4.505  -1.332
  372    HA3  GLY  47           HA1      GLY  47  11.140   5.832  -0.462
  373    H    GLY  48           HN       GLY  48  13.002   4.381  -0.297
  374    HA2  GLY  48           HA2      GLY  48  13.694   3.442   2.070
  375    HA3  GLY  48           HA1      GLY  48  12.684   2.114   1.534
  376    HA   PRO  49           HA       PRO  49  17.044   1.678  -0.193
  377    HB2  PRO  49           HB2      PRO  49  17.898  -0.084   1.890
  378    HB3  PRO  49           HB1      PRO  49  18.484   1.542   1.536
  379    HG2  PRO  49           HG2      PRO  49  17.072   0.827   3.806
  380    HG3  PRO  49           HG1      PRO  49  17.214   2.476   3.175
  381    HD2  PRO  49           HD2      PRO  49  14.974   0.520   2.884
  382    HD3  PRO  49           HD1      PRO  49  14.911   2.279   3.117
  383    H    LYS  50           HN       LYS  50  14.652  -0.509   1.032
  384    HA   LYS  50           HA       LYS  50  15.805  -2.887  -0.074
  385    HB2  LYS  50           HB2      LYS  50  13.009  -2.313   0.919
  386    HB3  LYS  50           HB1      LYS  50  13.569  -3.898   0.408
  387    HG2  LYS  50           HG2      LYS  50  13.713  -3.913   2.741
  388    HG3  LYS  50           HG1      LYS  50  15.370  -3.666   2.184
  389    HD2  LYS  50           HD2      LYS  50  14.925  -2.173   4.023
  390    HD3  LYS  50           HD1      LYS  50  15.079  -1.234   2.537
  391    HE2  LYS  50           HE2      LYS  50  13.196  -0.473   3.944
  392    HE3  LYS  50           HE1      LYS  50  12.672  -1.045   2.362
  393    HZ1  LYS  50           HZ       LYS  50  12.322  -3.248   3.751
  394    H    TRP  51           HN       TRP  51  12.581  -1.675  -0.818
  395    HA   TRP  51           HA       TRP  51  12.308  -2.760  -3.327
  396    HB2  TRP  51           HB2      TRP  51  10.857  -0.414  -3.519
  397    HB3  TRP  51           HB1      TRP  51  10.280  -1.919  -2.810
  398    HD1  TRP  51           HD1      TRP  51  12.404   1.065  -1.485
  399    HE1  TRP  51           HE1      TRP  51  11.548   1.640   0.868
  400    HE3  TRP  51           HE3      TRP  51   8.685  -2.407  -1.081
  401    HZ2  TRP  51           HZ2      TRP  51   9.585   0.746   2.664
  402    HZ3  TRP  51           HZ3      TRP  51   7.367  -2.488   0.986
  403    HH2  TRP  51           HH2      TRP  51   7.786  -0.925   2.811
  Start of MODEL   18
    1    H1   ALA 106           HT1      ALA 106 -15.369  -5.312   6.395
    2    H2   ALA 106           HT2      ALA 106 -15.330  -4.095   5.222
    3    H3   ALA 106           HT3      ALA 106 -14.960  -3.730   6.831
    4    HA   ALA 106           HA       ALA 106 -13.390  -5.525   5.075
    5    HB1  ALA 106           HB1      ALA 106 -11.713  -3.754   5.053
    6    HB2  ALA 106           HB2      ALA 106 -12.778  -2.724   6.009
    7    HB3  ALA 106           HB3      ALA 106 -13.239  -3.191   4.372
    8    H    ALA 107           HN       ALA 107 -13.753  -6.963   7.011
    9    HA   ALA 107           HA       ALA 107 -12.533  -6.296   9.498
   10    HB1  ALA 107           HB1      ALA 107 -13.272  -9.001   8.387
   11    HB2  ALA 107           HB2      ALA 107 -14.319  -7.954   9.343
   12    HB3  ALA 107           HB3      ALA 107 -12.868  -8.647  10.066
   13    H    ALA 108           HN       ALA 108 -10.709  -7.499  10.438
   14    HA   ALA 108           HA       ALA 108  -8.534  -8.152  10.488
   15    HB1  ALA 108           HB1      ALA 108  -7.686  -9.596   8.740
   16    HB2  ALA 108           HB2      ALA 108  -9.014  -9.134   7.677
   17    HB3  ALA 108           HB3      ALA 108  -9.340 -10.052   9.147
   18    H    THR 109           HN       THR 109  -6.650  -7.083  10.258
   19    HA   THR 109           HA       THR 109  -6.493  -5.086   8.104
   20    HB   THR 109           HB       THR 109  -5.369  -4.953  10.907
   21    HG1  THR 109           HG1      THR 109  -7.157  -3.101   9.747
   22   HG21  THR 109          HG21      THR 109  -3.850  -3.958   9.258
   23   HG22  THR 109          HG22      THR 109  -4.560  -2.736  10.313
   24   HG23  THR 109          HG23      THR 109  -5.161  -2.941   8.666
   25    H    ASN 110           HN       ASN 110  -5.314  -6.220   6.616
   26    HA   ASN 110           HA       ASN 110  -2.686  -7.239   7.472
   27    HB2  ASN 110           HB2      ASN 110  -4.516  -8.046   5.217
   28    HB3  ASN 110           HB1      ASN 110  -2.813  -8.488   5.225
   29   HD21  ASN 110          HD21      ASN 110  -4.833  -8.261   8.081
   30   HD22  ASN 110          HD22      ASN 110  -4.820  -9.946   8.452
   31    HA   PRO 111           HA       PRO 111  -0.751  -4.286   4.792
   32    HB2  PRO 111           HB2      PRO 111   1.392  -6.088   4.034
   33    HB3  PRO 111           HB1      PRO 111   1.421  -4.788   5.217
   34    HG2  PRO 111           HG2      PRO 111   1.609  -7.427   5.869
   35    HG3  PRO 111           HG1      PRO 111   0.955  -6.190   6.958
   36    HD2  PRO 111           HD2      PRO 111  -0.510  -8.138   5.205
   37    HD3  PRO 111           HD1      PRO 111  -0.852  -7.654   6.882
   38    H    ALA 112           HN       ALA 112   1.083  -5.937   2.695
   39    HA   ALA 112           HA       ALA 112  -0.155  -5.161   0.383
   40    HB1  ALA 112           HB1      ALA 112   1.478  -7.678   0.593
   41    HB2  ALA 112           HB2      ALA 112   2.181  -6.063   0.667
   42    HB3  ALA 112           HB3      ALA 112   1.331  -6.589  -0.787
   43    H    ARG 113           HN       ARG 113  -0.470  -8.294   2.018
   44    HA   ARG 113           HA       ARG 113  -2.031  -9.653   0.204
   45    HB2  ARG 113           HB2      ARG 113  -2.387  -9.739   3.202
   46    HB3  ARG 113           HB1      ARG 113  -2.734 -11.018   2.051
   47    HG2  ARG 113           HG2      ARG 113  -0.368 -11.229   1.537
   48    HG3  ARG 113           HG1      ARG 113  -0.002  -9.914   2.653
   49    HD2  ARG 113           HD2      ARG 113  -0.955 -11.264   4.492
   50    HD3  ARG 113           HD1      ARG 113  -1.203 -12.590   3.356
   51    HE   ARG 113           HE       ARG 113   1.504 -11.676   3.391
   52   HH11  ARG 113          HH11      ARG 113  -0.811 -13.686   5.049
   53   HH12  ARG 113          HH12      ARG 113   0.389 -14.736   5.724
   54   HH21  ARG 113          HH21      ARG 113   3.092 -13.056   4.275
   55   HH22  ARG 113          HH22      ARG 113   2.608 -14.377   5.284
   56    H    TYR 114           HN       TYR 114  -2.913  -7.152   2.461
   57    HA   TYR 114           HA       TYR 114  -5.749  -7.406   2.012
   58    HB2  TYR 114           HB2      TYR 114  -5.243  -6.630   4.160
   59    HB3  TYR 114           HB1      TYR 114  -3.996  -5.530   3.578
   60    HD1  TYR 114           HD1      TYR 114  -7.586  -6.062   4.034
   61    HD2  TYR 114           HD2      TYR 114  -4.577  -3.321   2.803
   62    HE1  TYR 114           HE1      TYR 114  -9.225  -4.249   4.103
   63    HE2  TYR 114           HE2      TYR 114  -6.221  -1.490   2.857
   64    HH   TYR 114           HH       TYR 114  -9.253  -1.787   4.338
   65    H    CYS 115           HN       CYS 115  -3.255  -4.986   1.236
   66    HA   CYS 115           HA       CYS 115  -4.860  -3.242  -0.231
   67    HB2  CYS 115           HB2      CYS 115  -1.903  -3.839  -0.432
   68    HB3  CYS 115           HB1      CYS 115  -2.692  -2.541  -1.322
   69    H    CYS 116           HN       CYS 116  -3.849  -6.381  -0.999
   70    HA   CYS 116           HA       CYS 116  -3.960  -6.002  -3.875
   71    HB2  CYS 116           HB2      CYS 116  -2.304  -7.545  -3.096
   72    HB3  CYS 116           HB1      CYS 116  -3.482  -8.415  -2.121
   73    H    LEU 117           HN       LEU 117  -5.576  -8.263  -1.648
   74    HA   LEU 117           HA       LEU 117  -7.561  -9.152  -3.312
   75    HB2  LEU 117           HB2      LEU 117  -7.668  -8.701  -0.350
   76    HB3  LEU 117           HB1      LEU 117  -8.859  -9.624  -1.241
   77    HG   LEU 117           HG       LEU 117  -5.925 -10.323  -1.093
   78   HD11  LEU 117          HD11      LEU 117  -6.629 -12.127   0.409
   79   HD12  LEU 117          HD12      LEU 117  -8.270 -11.480   0.407
   80   HD13  LEU 117          HD13      LEU 117  -6.951 -10.536   1.097
   81   HD21  LEU 117          HD21      LEU 117  -6.649 -12.465  -2.026
   82   HD22  LEU 117          HD22      LEU 117  -7.033 -11.130  -3.112
   83   HD23  LEU 117          HD23      LEU 117  -8.303 -11.863  -2.132
   84    H    SER 118           HN       SER 118  -8.242  -6.760  -0.758
   85    HA   SER 118           HA       SER 118 -10.584  -5.892  -2.210
   86    HB2  SER 118           HB2      SER 118 -10.711  -6.131   0.215
   87    HB3  SER 118           HB1      SER 118  -9.429  -4.937   0.418
   88    HG   SER 118           HG       SER 118 -10.808  -3.377   0.028
   89    H    GLY 119           HN       GLY 119  -7.889  -4.053  -0.746
   90    HA2  GLY 119           HA2      GLY 119  -6.707  -2.679  -2.619
   91    HA3  GLY 119           HA1      GLY 119  -8.311  -1.994  -2.795
   92    H    CYS 120           HN       CYS 120  -5.738  -0.738  -1.980
   93    HA   CYS 120           HA       CYS 120  -6.828   0.625   0.346
   94    HB2  CYS 120           HB2      CYS 120  -5.004   0.313   1.767
   95    HB3  CYS 120           HB1      CYS 120  -5.227  -1.274   1.051
   96    H    THR 121           HN       THR 121  -6.135   2.734   0.598
   97    HA   THR 121           HA       THR 121  -5.185   3.952  -1.846
   98    HB   THR 121           HB       THR 121  -6.022   5.962  -1.056
   99    HG1  THR 121           HG1      THR 121  -6.080   6.521   1.087
  100   HG21  THR 121          HG21      THR 121  -7.836   4.334  -1.275
  101   HG22  THR 121          HG22      THR 121  -8.180   5.488   0.013
  102   HG23  THR 121          HG23      THR 121  -7.626   3.864   0.411
  103    H    GLN 122           HN       GLN 122  -3.853   6.097  -1.329
  104    HA   GLN 122           HA       GLN 122  -1.216   5.312  -0.816
  105    HB2  GLN 122           HB2      GLN 122  -1.942   7.304  -2.145
  106    HB3  GLN 122           HB1      GLN 122  -2.353   8.109  -0.639
  107    HG2  GLN 122           HG2      GLN 122   0.035   7.809   0.061
  108    HG3  GLN 122           HG1      GLN 122   0.368   7.259  -1.581
  109   HE21  GLN 122          HE21      GLN 122   1.373   9.591  -0.130
  110   HE22  GLN 122          HE22      GLN 122   0.958  10.964  -1.094
  111    H    GLN 123           HN       GLN 123  -3.684   6.645   1.287
  112    HA   GLN 123           HA       GLN 123  -1.977   7.281   3.461
  113    HB2  GLN 123           HB2      GLN 123  -4.933   6.656   3.389
  114    HB3  GLN 123           HB1      GLN 123  -4.086   7.262   4.804
  115    HG2  GLN 123           HG2      GLN 123  -3.460   9.277   3.522
  116    HG3  GLN 123           HG1      GLN 123  -4.418   8.675   2.169
  117   HE21  GLN 123          HE21      GLN 123  -4.498  10.003   5.378
  118   HE22  GLN 123          HE22      GLN 123  -6.182  10.387   5.398
  119    H    ASP 124           HN       ASP 124  -3.743   4.384   2.532
  120    HA   ASP 124           HA       ASP 124  -3.122   2.962   4.945
  121    HB2  ASP 124           HB2      ASP 124  -4.195   2.032   2.279
  122    HB3  ASP 124           HB1      ASP 124  -4.040   1.000   3.696
  123    H    LEU 125           HN       LEU 125  -1.474   3.647   2.037
  124    HA   LEU 125           HA       LEU 125   0.278   1.366   2.112
  125    HB2  LEU 125           HB2      LEU 125   0.266   1.931  -0.036
  126    HB3  LEU 125           HB1      LEU 125  -0.663   3.352   0.311
  127    HG   LEU 125           HG       LEU 125   1.416   4.610   0.601
  128   HD11  LEU 125          HD11      LEU 125   3.447   3.354  -0.414
  129   HD12  LEU 125          HD12      LEU 125   2.523   1.923   0.050
  130   HD13  LEU 125          HD13      LEU 125   3.029   3.076   1.281
  131   HD21  LEU 125          HD21      LEU 125   0.282   4.537  -1.544
  132   HD22  LEU 125          HD22      LEU 125   1.153   3.061  -1.928
  133   HD23  LEU 125          HD23      LEU 125   2.030   4.564  -1.776
  134    H    LEU 126           HN       LEU 126   0.282   4.789   2.661
  135    HA   LEU 126           HA       LEU 126   2.790   5.397   3.414
  136    HB2  LEU 126           HB2      LEU 126   0.594   6.740   3.226
  137    HB3  LEU 126           HB1      LEU 126   0.392   6.359   4.922
  138    HG   LEU 126           HG       LEU 126   2.875   7.625   3.906
  139   HD11  LEU 126          HD11      LEU 126   1.120   9.079   3.144
  140   HD12  LEU 126          HD12      LEU 126   1.881   9.814   4.555
  141   HD13  LEU 126          HD13      LEU 126   0.322   9.004   4.715
  142   HD21  LEU 126          HD21      LEU 126   1.594   7.111   6.537
  143   HD22  LEU 126          HD22      LEU 126   2.541   8.594   6.362
  144   HD23  LEU 126          HD23      LEU 126   3.296   7.026   6.071
  145    H    THR 127           HN       THR 127   0.195   4.439   5.625
  146    HA   THR 127           HA       THR 127   1.669   4.456   7.964
  147    HB   THR 127           HB       THR 127  -0.675   4.449   8.083
  148    HG1  THR 127           HG1      THR 127  -0.996   2.607   9.518
  149   HG21  THR 127          HG21      THR 127  -2.055   2.582   7.360
  150   HG22  THR 127          HG22      THR 127  -0.617   1.701   6.842
  151   HG23  THR 127          HG23      THR 127  -1.084   3.187   6.017
  152    H    LEU 128           HN       LEU 128   1.671   2.004   5.484
  153    HA   LEU 128           HA       LEU 128   2.769   0.019   7.287
  154    HB2  LEU 128           HB2      LEU 128   2.009   0.015   4.405
  155    HB3  LEU 128           HB1      LEU 128   3.254  -1.105   4.921
  156    HG   LEU 128           HG       LEU 128   0.779  -1.006   6.532
  157   HD11  LEU 128          HD11      LEU 128   0.457  -1.078   3.860
  158   HD12  LEU 128          HD12      LEU 128  -0.606  -1.873   5.005
  159   HD13  LEU 128          HD13      LEU 128   0.668  -2.793   4.209
  160   HD21  LEU 128          HD21      LEU 128   2.611  -2.441   7.163
  161   HD22  LEU 128          HD22      LEU 128   2.604  -3.159   5.558
  162   HD23  LEU 128          HD23      LEU 128   1.235  -3.412   6.635
  163    H    CYS 129           HN       CYS 129   3.930   2.197   4.822
  164    HA   CYS 129           HA       CYS 129   6.360   1.615   4.134
  165    HB2  CYS 129           HB2      CYS 129   5.684   4.226   5.463
  166    HB3  CYS 129           HB1      CYS 129   6.996   3.960   4.318
  167    HA   PRO 130           HA       PRO 130   8.647   2.415   8.230
  168    HB2  PRO 130           HB2      PRO 130   7.294   2.849  10.519
  169    HB3  PRO 130           HB1      PRO 130   7.673   4.149   9.383
  170    HG2  PRO 130           HG2      PRO 130   5.111   2.673   9.794
  171    HG3  PRO 130           HG1      PRO 130   5.375   4.395   9.469
  172    HD2  PRO 130           HD2      PRO 130   4.625   2.549   7.571
  173    HD3  PRO 130           HD1      PRO 130   5.457   4.069   7.206
  174    H    TYR 131           HN       TYR 131   7.675  -0.040   7.260
  175    HA   TYR 131           HA       TYR 131   7.284  -1.609   9.712
  176    HB2  TYR 131           HB2      TYR 131   6.352  -3.354   8.408
  177    HB3  TYR 131           HB1      TYR 131   5.629  -1.872   7.805
  178    HD1  TYR 131           HD2      TYR 131   8.211  -4.437   7.085
  179    HD2  TYR 131           HD1      TYR 131   5.818  -1.289   5.515
  180    HE1  TYR 131           HE2      TYR 131   8.882  -5.070   4.808
  181    HE2  TYR 131           HE1      TYR 131   6.479  -1.913   3.234
  182    HH   TYR 131           HH       TYR 131   8.044  -4.841   2.514
  183    H    GLY 132           HN       GLY 132   9.367  -1.147   6.949
  184    HA2  GLY 132           HA2      GLY 132  11.433  -2.710   8.316
  185    HA3  GLY 132           HA1      GLY 132  11.011  -3.176   6.677
  186    H2   PRO  25           HT1      PRO  25 -15.929  12.771   2.066
  187    H3   PRO  25           HT2      PRO  25 -16.229  12.716   3.670
  188    HA   PRO  25           HA       PRO  25 -17.087  10.825   3.382
  189    HB2  PRO  25           HB2      PRO  25 -19.361  11.474   1.719
  190    HB3  PRO  25           HB1      PRO  25 -19.319  11.071   3.442
  191    HG2  PRO  25           HG2      PRO  25 -19.879  13.570   2.504
  192    HG3  PRO  25           HG1      PRO  25 -19.137  13.259   4.084
  193    HD2  PRO  25           HD2      PRO  25 -17.831  14.079   1.505
  194    HD3  PRO  25           HD1      PRO  25 -17.543  14.682   3.148
  195    H    THR  26           HN       THR  26 -15.996  12.441   0.700
  196    HA   THR  26           HA       THR  26 -16.774  10.781  -1.430
  197    HB   THR  26           HB       THR  26 -14.783  11.670  -2.615
  198    HG1  THR  26           HG1      THR  26 -13.604  11.813  -0.451
  199   HG21  THR  26          HG21      THR  26 -16.862  12.962  -2.574
  200   HG22  THR  26          HG22      THR  26 -15.456  14.024  -2.572
  201   HG23  THR  26          HG23      THR  26 -16.351  13.745  -1.079
  202    HA   PRO  27           HA       PRO  27 -14.301   7.181  -0.575
  203    HB2  PRO  27           HB2      PRO  27 -14.627   5.862  -2.886
  204    HB3  PRO  27           HB1      PRO  27 -15.965   6.079  -1.750
  205    HG2  PRO  27           HG2      PRO  27 -15.347   7.589  -4.259
  206    HG3  PRO  27           HG1      PRO  27 -16.910   7.001  -3.663
  207    HD2  PRO  27           HD2      PRO  27 -16.040   9.588  -3.388
  208    HD3  PRO  27           HD1      PRO  27 -17.203   8.813  -2.295
  209    H    GLU  28           HN       GLU  28 -12.158   6.910  -0.623
  210    HA   GLU  28           HA       GLU  28 -10.547   8.341  -2.532
  211    HB2  GLU  28           HB2      GLU  28  -9.764   6.458  -0.301
  212    HB3  GLU  28           HB1      GLU  28  -8.651   7.450  -1.230
  213    HG2  GLU  28           HG2      GLU  28 -10.862   8.492   0.522
  214    HG3  GLU  28           HG1      GLU  28  -9.156   8.413   0.960
  215    H    MET  29           HN       MET  29  -9.361   7.520  -4.188
  216    HA   MET  29           HA       MET  29 -10.138   4.979  -5.245
  217    HB2  MET  29           HB2      MET  29  -9.644   6.957  -6.661
  218    HB3  MET  29           HB1      MET  29  -7.955   6.845  -6.187
  219    HG2  MET  29           HG2      MET  29  -7.839   4.612  -7.201
  220    HG3  MET  29           HG1      MET  29  -9.516   4.777  -7.717
  221    HE1  MET  29           HE1      MET  29  -7.221   4.028  -9.708
  222    HE2  MET  29           HE2      MET  29  -7.522   5.097 -11.078
  223    HE3  MET  29           HE3      MET  29  -8.870   4.298 -10.271
  224    H    ARG  30           HN       ARG  30  -9.432   3.242  -4.132
  225    HA   ARG  30           HA       ARG  30  -6.617   3.107  -3.344
  226    HB2  ARG  30           HB2      ARG  30  -7.817   0.759  -2.487
  227    HB3  ARG  30           HB1      ARG  30  -7.509   2.180  -1.513
  228    HG2  ARG  30           HG2      ARG  30  -9.762   3.017  -2.131
  229    HG3  ARG  30           HG1      ARG  30 -10.044   1.481  -2.953
  230    HD2  ARG  30           HD2      ARG  30  -9.030   1.163  -0.252
  231    HD3  ARG  30           HD1      ARG  30 -10.574   2.013  -0.311
  232    HE   ARG  30           HE       ARG  30 -10.256  -0.546  -1.716
  233   HH11  ARG  30          HH11      ARG  30 -11.753   1.367   0.784
  234   HH12  ARG  30          HH12      ARG  30 -12.986   0.198   1.117
  235   HH21  ARG  30          HH21      ARG  30 -11.879  -2.088  -1.285
  236   HH22  ARG  30          HH22      ARG  30 -13.058  -1.766  -0.057
  237    H    GLU  31           HN       GLU  31  -5.186   1.692  -4.194
  238    HA   GLU  31           HA       GLU  31  -6.038   0.264  -6.593
  239    HB2  GLU  31           HB2      GLU  31  -3.199   0.557  -5.637
  240    HB3  GLU  31           HB1      GLU  31  -3.776   0.227  -7.263
  241    HG2  GLU  31           HG2      GLU  31  -4.744   2.493  -7.350
  242    HG3  GLU  31           HG1      GLU  31  -4.053   2.819  -5.761
  243    H    LYS  32           HN       LYS  32  -5.581  -1.925  -6.949
  244    HA   LYS  32           HA       LYS  32  -5.649  -3.564  -4.598
  245    HB2  LYS  32           HB2      LYS  32  -5.875  -3.977  -7.518
  246    HB3  LYS  32           HB1      LYS  32  -5.566  -5.357  -6.480
  247    HG2  LYS  32           HG2      LYS  32  -7.558  -4.521  -5.101
  248    HG3  LYS  32           HG1      LYS  32  -7.941  -3.543  -6.519
  249    HD2  LYS  32           HD2      LYS  32  -7.760  -5.702  -7.841
  250    HD3  LYS  32           HD1      LYS  32  -7.791  -6.524  -6.284
  251    HE2  LYS  32           HE2      LYS  32 -10.024  -6.434  -7.262
  252    HE3  LYS  32           HE1      LYS  32  -9.946  -5.489  -5.775
  253    HZ1  LYS  32           HZ1      LYS  32  -9.808  -4.395  -8.533
  254    HZ2  LYS  32           HZ2      LYS  32  -9.717  -3.484  -7.112
  255    HZ3  LYS  32           HZ3      LYS  32 -11.143  -4.305  -7.498
  256    H    LEU  33           HN       LEU  33  -3.431  -2.268  -4.415
  257    HA   LEU  33           HA       LEU  33  -1.092  -3.027  -5.618
  258    HB2  LEU  33           HB2      LEU  33  -1.451  -2.385  -2.691
  259    HB3  LEU  33           HB1      LEU  33   0.026  -2.213  -3.623
  260    HG   LEU  33           HG       LEU  33  -2.514  -0.628  -4.034
  261   HD11  LEU  33          HD11      LEU  33   0.156   0.246  -2.956
  262   HD12  LEU  33          HD12      LEU  33  -1.314   0.025  -2.009
  263   HD13  LEU  33          HD13      LEU  33  -1.240   1.282  -3.242
  264   HD21  LEU  33          HD21      LEU  33  -1.387  -0.982  -6.131
  265   HD22  LEU  33          HD22      LEU  33   0.123  -0.452  -5.413
  266   HD23  LEU  33          HD23      LEU  33  -1.192   0.692  -5.610
  267    H    CYS  34           HN       CYS  34  -0.864  -5.144  -6.081
  268    HA   CYS  34           HA       CYS  34  -0.852  -7.073  -3.868
  269    HB2  CYS  34           HB2      CYS  34  -2.169  -7.280  -6.183
  270    HB3  CYS  34           HB1      CYS  34  -0.630  -7.960  -6.699
  271    H    GLY  35           HN       GLY  35   1.080  -7.436  -3.010
  272    HA2  GLY  35           HA2      GLY  35   3.348  -7.727  -2.788
  273    HA3  GLY  35           HA1      GLY  35   3.221  -8.581  -4.318
  274    H    HIS  36           HN       HIS  36   4.269  -7.782  -6.007
  275    HA   HIS  36           HA       HIS  36   6.144  -5.791  -5.890
  276    HB2  HIS  36           HB2      HIS  36   6.387  -7.137  -7.742
  277    HB3  HIS  36           HB1      HIS  36   4.671  -7.112  -8.116
  278    HD1  HIS  36           HD1      HIS  36   7.734  -4.884  -8.434
  279    HD2  HIS  36           HD2      HIS  36   3.929  -5.356 -10.033
  280    HE1  HIS  36           HE1      HIS  36   7.576  -3.280 -10.385
  281    H    HIS  37           HN       HIS  37   2.779  -5.475  -7.007
  282    HA   HIS  37           HA       HIS  37   2.877  -2.805  -7.805
  283    HB2  HIS  37           HB2      HIS  37   0.533  -4.188  -6.504
  284    HB3  HIS  37           HB1      HIS  37   0.467  -2.770  -7.539
  285    HD1  HIS  37           HD1      HIS  37  -0.216  -6.221  -7.744
  286    HD2  HIS  37           HD2      HIS  37   1.781  -3.525 -10.195
  287    HE1  HIS  37           HE1      HIS  37  -0.183  -7.253 -10.053
  288    H    PHE  38           HN       PHE  38   2.178  -4.199  -4.608
  289    HA   PHE  38           HA       PHE  38   1.700  -1.721  -3.354
  290    HB2  PHE  38           HB2      PHE  38   1.190  -4.091  -2.454
  291    HB3  PHE  38           HB1      PHE  38   2.857  -4.090  -1.906
  292    HD1  PHE  38           HD1      PHE  38   0.636  -1.158  -1.937
  293    HD2  PHE  38           HD2      PHE  38   2.475  -4.136   0.463
  294    HE1  PHE  38           HE1      PHE  38  -0.094   0.027   0.067
  295    HE2  PHE  38           HE2      PHE  38   1.764  -2.940   2.482
  296    HZ   PHE  38           HZ       PHE  38   0.475  -0.851   2.280
  297    H    VAL  39           HN       VAL  39   4.593  -3.806  -3.156
  298    HA   VAL  39           HA       VAL  39   6.343  -2.173  -1.848
  299    HB   VAL  39           HB       VAL  39   6.817  -4.046  -4.171
  300   HG11  VAL  39          HG11      VAL  39   8.948  -2.746  -2.482
  301   HG12  VAL  39          HG12      VAL  39   8.604  -2.357  -4.167
  302   HG13  VAL  39          HG13      VAL  39   9.190  -3.962  -3.736
  303   HG21  VAL  39          HG21      VAL  39   6.041  -4.987  -2.026
  304   HG22  VAL  39          HG22      VAL  39   7.462  -4.300  -1.238
  305   HG23  VAL  39          HG23      VAL  39   7.654  -5.543  -2.474
  306    H    ARG  40           HN       ARG  40   5.310  -1.837  -5.213
  307    HA   ARG  40           HA       ARG  40   7.224   0.194  -5.861
  308    HB2  ARG  40           HB2      ARG  40   5.655  -1.363  -7.359
  309    HB3  ARG  40           HB1      ARG  40   4.614   0.048  -7.285
  310    HG2  ARG  40           HG2      ARG  40   6.325   1.433  -8.230
  311    HG3  ARG  40           HG1      ARG  40   7.485   0.107  -8.180
  312    HD2  ARG  40           HD2      ARG  40   6.166  -1.140  -9.789
  313    HD3  ARG  40           HD1      ARG  40   4.938   0.126  -9.796
  314    HE   ARG  40           HE       ARG  40   6.300   1.413 -11.140
  315   HH11  ARG  40          HH11      ARG  40   8.064  -1.349  -9.959
  316   HH12  ARG  40          HH12      ARG  40   9.399  -1.121 -11.039
  317   HH21  ARG  40          HH21      ARG  40   8.057   1.727 -12.562
  318   HH22  ARG  40          HH22      ARG  40   9.397   0.631 -12.514
  319    H    ALA  41           HN       ALA  41   3.727   0.229  -5.169
  320    HA   ALA  41           HA       ALA  41   3.391   2.995  -5.064
  321    HB1  ALA  41           HB1      ALA  41   1.339   2.585  -3.980
  322    HB2  ALA  41           HB2      ALA  41   1.927   1.098  -3.234
  323    HB3  ALA  41           HB3      ALA  41   1.607   1.150  -4.971
  324    H    LEU  42           HN       LEU  42   4.943   0.765  -3.025
  325    HA   LEU  42           HA       LEU  42   4.938   2.350  -0.629
  326    HB2  LEU  42           HB2      LEU  42   6.746   0.045  -1.432
  327    HB3  LEU  42           HB1      LEU  42   6.652   0.716   0.159
  328    HG   LEU  42           HG       LEU  42   5.005  -1.322  -1.111
  329   HD11  LEU  42          HD11      LEU  42   4.632  -1.947   1.238
  330   HD12  LEU  42          HD12      LEU  42   5.520  -0.504   1.739
  331   HD13  LEU  42          HD13      LEU  42   6.340  -1.782   0.836
  332   HD21  LEU  42          HD21      LEU  42   3.385   0.507  -1.130
  333   HD22  LEU  42          HD22      LEU  42   3.670   0.726   0.594
  334   HD23  LEU  42          HD23      LEU  42   2.964  -0.768   0.010
  335    H    VAL  43           HN       VAL  43   7.214   1.526  -3.195
  336    HA   VAL  43           HA       VAL  43   9.403   3.037  -2.419
  337    HB   VAL  43           HB       VAL  43   8.378   2.089  -5.086
  338   HG11  VAL  43          HG11      VAL  43  10.599   2.687  -6.020
  339   HG12  VAL  43          HG12      VAL  43  10.892   3.633  -4.561
  340   HG13  VAL  43          HG13      VAL  43   9.573   4.070  -5.645
  341   HG21  VAL  43          HG21      VAL  43  10.845   1.306  -3.550
  342   HG22  VAL  43          HG22      VAL  43  10.140   0.490  -4.947
  343   HG23  VAL  43          HG23      VAL  43   9.292   0.487  -3.401
  344    H    ARG  44           HN       ARG  44   6.342   4.016  -3.563
  345    HA   ARG  44           HA       ARG  44   7.193   6.546  -4.643
  346    HB2  ARG  44           HB2      ARG  44   5.277   5.391  -5.601
  347    HB3  ARG  44           HB1      ARG  44   4.448   5.498  -4.060
  348    HG2  ARG  44           HG2      ARG  44   4.505   7.958  -4.232
  349    HG3  ARG  44           HG1      ARG  44   5.240   7.795  -5.825
  350    HD2  ARG  44           HD2      ARG  44   3.260   6.538  -6.581
  351    HD3  ARG  44           HD1      ARG  44   2.524   6.779  -4.997
  352    HE   ARG  44           HE       ARG  44   3.317   9.208  -6.336
  353   HH11  ARG  44          HH11      ARG  44   0.772   6.882  -5.838
  354   HH12  ARG  44          HH12      ARG  44  -0.492   7.976  -6.289
  355   HH21  ARG  44          HH21      ARG  44   1.662  10.656  -6.929
  356   HH22  ARG  44          HH22      ARG  44   0.014  10.123  -6.911
  357    H    VAL  45           HN       VAL  45   5.140   5.604  -1.862
  358    HA   VAL  45           HA       VAL  45   5.470   8.305  -0.802
  359    HB   VAL  45           HB       VAL  45   3.479   8.098   0.202
  360   HG11  VAL  45          HG11      VAL  45   2.887   7.318  -1.969
  361   HG12  VAL  45          HG12      VAL  45   1.973   6.372  -0.781
  362   HG13  VAL  45          HG13      VAL  45   3.390   5.669  -1.570
  363   HG21  VAL  45          HG21      VAL  45   4.330   5.337   1.011
  364   HG22  VAL  45          HG22      VAL  45   2.689   5.926   1.281
  365   HG23  VAL  45          HG23      VAL  45   4.061   6.752   2.029
  366    H    CYS  46           HN       CYS  46   6.243   4.990   0.038
  367    HA   CYS  46           HA       CYS  46   7.195   5.572   2.658
  368    HB2  CYS  46           HB2      CYS  46   7.992   3.187   0.994
  369    HB3  CYS  46           HB1      CYS  46   7.849   3.300   2.749
  370    H    GLY  47           HN       GLY  47   8.795   5.088  -0.477
  371    HA2  GLY  47           HA2      GLY  47  10.991   5.416  -1.117
  372    HA3  GLY  47           HA1      GLY  47  10.827   6.890  -0.175
  373    H    GLY  48           HN       GLY  48  10.641   3.698   1.253
  374    HA2  GLY  48           HA2      GLY  48  12.530   4.245   3.251
  375    HA3  GLY  48           HA1      GLY  48  11.950   2.643   2.821
  376    HA   PRO  49           HA       PRO  49  16.413   3.234   1.433
  377    HB2  PRO  49           HB2      PRO  49  17.513   2.031   3.781
  378    HB3  PRO  49           HB1      PRO  49  17.676   3.701   3.239
  379    HG2  PRO  49           HG2      PRO  49  16.305   2.902   5.503
  380    HG3  PRO  49           HG1      PRO  49  16.052   4.435   4.653
  381    HD2  PRO  49           HD2      PRO  49  14.467   1.904   4.515
  382    HD3  PRO  49           HD1      PRO  49  13.903   3.590   4.504
  383    H    LYS  50           HN       LYS  50  14.306   0.807   1.898
  384    HA   LYS  50           HA       LYS  50  16.219  -1.368   1.655
  385    HB2  LYS  50           HB2      LYS  50  13.683  -2.441   1.275
  386    HB3  LYS  50           HB1      LYS  50  14.677  -2.525   2.716
  387    HG2  LYS  50           HG2      LYS  50  12.821  -0.241   2.174
  388    HG3  LYS  50           HG1      LYS  50  12.333  -1.714   2.999
  389    HD2  LYS  50           HD2      LYS  50  14.141  -1.341   4.651
  390    HD3  LYS  50           HD1      LYS  50  14.479   0.203   3.862
  391    HE2  LYS  50           HE2      LYS  50  13.084   0.769   5.660
  392    HE3  LYS  50           HE1      LYS  50  12.000   0.729   4.272
  393    HZ1  LYS  50           HZ       LYS  50  11.011  -1.209   5.112
  394    H    TRP  51           HN       TRP  51  13.153  -1.082   0.005
  395    HA   TRP  51           HA       TRP  51  13.766  -2.328  -2.342
  396    HB2  TRP  51           HB2      TRP  51  11.954  -0.528  -3.226
  397    HB3  TRP  51           HB1      TRP  51  11.526  -1.921  -2.238
  398    HD1  TRP  51           HD1      TRP  51  12.750   1.687  -1.452
  399    HE1  TRP  51           HE1      TRP  51  11.336   2.588   0.491
  400    HE3  TRP  51           HE3      TRP  51   9.745  -2.364  -0.682
  401    HZ2  TRP  51           HZ2      TRP  51   9.236   1.701   2.152
  402    HZ3  TRP  51           HZ3      TRP  51   8.070  -2.266   1.110
  403    HH2  TRP  51           HH2      TRP  51   7.814  -0.275   2.499
  Start of MODEL   19
    1    H1   ALA 106           HT1      ALA 106  -2.276  -4.054  10.807
    2    H2   ALA 106           HT2      ALA 106  -0.977  -3.043  11.195
    3    H3   ALA 106           HT3      ALA 106  -2.044  -2.610   9.957
    4    HA   ALA 106           HA       ALA 106  -2.746  -2.855  12.824
    5    HB1  ALA 106           HB1      ALA 106  -1.300  -0.936  12.382
    6    HB2  ALA 106           HB2      ALA 106  -2.935  -0.425  12.803
    7    HB3  ALA 106           HB3      ALA 106  -2.404  -0.390  11.120
    8    H    ALA 107           HN       ALA 107  -4.733  -3.700  12.837
    9    HA   ALA 107           HA       ALA 107  -6.947  -4.019  12.423
   10    HB1  ALA 107           HB1      ALA 107  -6.829  -1.166  11.452
   11    HB2  ALA 107           HB2      ALA 107  -7.059  -1.674  13.125
   12    HB3  ALA 107           HB3      ALA 107  -8.284  -2.052  11.914
   13    H    ALA 108           HN       ALA 108  -5.050  -4.735  10.356
   14    HA   ALA 108           HA       ALA 108  -6.926  -4.904   8.128
   15    HB1  ALA 108           HB1      ALA 108  -4.103  -3.888   7.823
   16    HB2  ALA 108           HB2      ALA 108  -5.586  -2.973   7.556
   17    HB3  ALA 108           HB3      ALA 108  -5.176  -4.317   6.492
   18    H    THR 109           HN       THR 109  -6.771  -6.781   6.968
   19    HA   THR 109           HA       THR 109  -5.408  -8.961   8.175
   20    HB   THR 109           HB       THR 109  -6.592  -9.074   5.416
   21    HG1  THR 109           HG1      THR 109  -7.875  -8.108   7.489
   22   HG21  THR 109          HG21      THR 109  -6.516 -10.994   7.738
   23   HG22  THR 109          HG22      THR 109  -5.523 -11.084   6.284
   24   HG23  THR 109          HG23      THR 109  -7.269 -11.315   6.177
   25    H    ASN 110           HN       ASN 110  -3.215  -8.110   8.041
   26    HA   ASN 110           HA       ASN 110  -1.107  -8.133   7.220
   27    HB2  ASN 110           HB2      ASN 110  -2.345  -9.968   5.166
   28    HB3  ASN 110           HB1      ASN 110  -0.616  -9.658   5.293
   29   HD21  ASN 110          HD21      ASN 110  -0.044 -11.722   5.816
   30   HD22  ASN 110          HD22      ASN 110  -0.461 -12.474   7.313
   31    HA   PRO 111           HA       PRO 111  -0.796  -4.687   4.500
   32    HB2  PRO 111           HB2      PRO 111   1.775  -5.931   3.635
   33    HB3  PRO 111           HB1      PRO 111   1.460  -4.298   4.222
   34    HG2  PRO 111           HG2      PRO 111   2.614  -6.060   5.814
   35    HG3  PRO 111           HG1      PRO 111   1.338  -5.003   6.453
   36    HD2  PRO 111           HD2      PRO 111   1.168  -7.878   5.609
   37    HD3  PRO 111           HD1      PRO 111   0.474  -7.085   7.040
   38    H    ALA 112           HN       ALA 112   1.320  -6.131   2.332
   39    HA   ALA 112           HA       ALA 112   0.024  -5.668   0.027
   40    HB1  ALA 112           HB1      ALA 112   1.637  -8.176   0.367
   41    HB2  ALA 112           HB2      ALA 112   2.367  -6.571   0.392
   42    HB3  ALA 112           HB3      ALA 112   1.513  -7.129  -1.048
   43    H    ARG 113           HN       ARG 113  -0.521  -8.470   2.101
   44    HA   ARG 113           HA       ARG 113  -2.035  -9.998   0.315
   45    HB2  ARG 113           HB2      ARG 113  -2.358  -9.864   3.314
   46    HB3  ARG 113           HB1      ARG 113  -2.817 -11.191   2.261
   47    HG2  ARG 113           HG2      ARG 113  -0.354 -11.331   1.631
   48    HG3  ARG 113           HG1      ARG 113  -0.067 -10.284   3.020
   49    HD2  ARG 113           HD2      ARG 113  -1.224 -11.940   4.452
   50    HD3  ARG 113           HD1      ARG 113  -1.379 -12.998   3.050
   51    HE   ARG 113           HE       ARG 113   1.325 -12.229   3.485
   52   HH11  ARG 113          HH11      ARG 113  -1.170 -14.381   4.622
   53   HH12  ARG 113          HH12      ARG 113  -0.054 -15.570   5.207
   54   HH21  ARG 113          HH21      ARG 113   2.799 -13.791   4.254
   55   HH22  ARG 113          HH22      ARG 113   2.199 -15.235   5.000
   56    H    TYR 114           HN       TYR 114  -3.083  -7.637   2.777
   57    HA   TYR 114           HA       TYR 114  -5.838  -7.817   2.160
   58    HB2  TYR 114           HB2      TYR 114  -5.431  -6.827   4.231
   59    HB3  TYR 114           HB1      TYR 114  -4.142  -5.802   3.605
   60    HD1  TYR 114           HD1      TYR 114  -7.792  -6.281   3.761
   61    HD2  TYR 114           HD2      TYR 114  -4.622  -3.624   2.787
   62    HE1  TYR 114           HE1      TYR 114  -9.396  -4.442   3.588
   63    HE2  TYR 114           HE2      TYR 114  -6.222  -1.769   2.605
   64    HH   TYR 114           HH       TYR 114  -8.612  -1.431   2.203
   65    H    CYS 115           HN       CYS 115  -3.294  -5.600   1.098
   66    HA   CYS 115           HA       CYS 115  -4.874  -3.919  -0.484
   67    HB2  CYS 115           HB2      CYS 115  -1.952  -4.652  -0.577
   68    HB3  CYS 115           HB1      CYS 115  -2.660  -3.520  -1.723
   69    H    CYS 116           HN       CYS 116  -3.569  -7.086  -1.087
   70    HA   CYS 116           HA       CYS 116  -3.942  -6.965  -3.934
   71    HB2  CYS 116           HB2      CYS 116  -2.226  -8.387  -2.691
   72    HB3  CYS 116           HB1      CYS 116  -3.557  -9.458  -2.275
   73    H    LEU 117           HN       LEU 117  -6.125  -7.003  -1.550
   74    HA   LEU 117           HA       LEU 117  -7.950  -8.871  -2.886
   75    HB2  LEU 117           HB2      LEU 117  -7.797  -7.797  -0.114
   76    HB3  LEU 117           HB1      LEU 117  -9.336  -8.355  -0.733
   77    HG   LEU 117           HG       LEU 117  -6.836 -10.045  -0.589
   78   HD11  LEU 117          HD11      LEU 117  -7.943 -11.172   1.282
   79   HD12  LEU 117          HD12      LEU 117  -9.255  -9.995   1.211
   80   HD13  LEU 117          HD13      LEU 117  -7.626  -9.475   1.642
   81   HD21  LEU 117          HD21      LEU 117  -8.395 -11.900  -1.009
   82   HD22  LEU 117          HD22      LEU 117  -8.359 -10.749  -2.345
   83   HD23  LEU 117          HD23      LEU 117  -9.707 -10.739  -1.208
   84    H    SER 118           HN       SER 118  -8.689  -6.013  -0.926
   85    HA   SER 118           HA       SER 118 -10.588  -5.168  -2.954
   86    HB2  SER 118           HB2      SER 118 -10.110  -4.379  -0.085
   87    HB3  SER 118           HB1      SER 118 -11.236  -3.520  -1.126
   88    HG   SER 118           HG       SER 118 -12.011  -5.384   0.245
   89    H    GLY 119           HN       GLY 119  -7.683  -3.992  -1.315
   90    HA2  GLY 119           HA2      GLY 119  -6.244  -2.643  -2.892
   91    HA3  GLY 119           HA1      GLY 119  -7.688  -1.682  -3.156
   92    H    CYS 120           HN       CYS 120  -5.426  -0.416  -2.379
   93    HA   CYS 120           HA       CYS 120  -6.250   0.641   0.199
   94    HB2  CYS 120           HB2      CYS 120  -3.810   0.635   0.961
   95    HB3  CYS 120           HB1      CYS 120  -4.678  -0.893   1.040
   96    H    THR 121           HN       THR 121  -5.712   2.778   0.504
   97    HA   THR 121           HA       THR 121  -4.833   4.147  -1.924
   98    HB   THR 121           HB       THR 121  -5.898   6.091  -1.130
   99    HG1  THR 121           HG1      THR 121  -6.614   6.234   1.078
  100   HG21  THR 121          HG21      THR 121  -7.437   4.187  -1.755
  101   HG22  THR 121          HG22      THR 121  -8.148   5.408  -0.698
  102   HG23  THR 121          HG23      THR 121  -7.617   3.867  -0.027
  103    H    GLN 122           HN       GLN 122  -3.850   6.475  -1.126
  104    HA   GLN 122           HA       GLN 122  -1.184   5.947  -0.470
  105    HB2  GLN 122           HB2      GLN 122  -2.134   7.984  -1.646
  106    HB3  GLN 122           HB1      GLN 122  -2.580   8.590  -0.060
  107    HG2  GLN 122           HG2      GLN 122  -0.249   8.579   0.624
  108    HG3  GLN 122           HG1      GLN 122   0.219   7.925  -0.946
  109   HE21  GLN 122          HE21      GLN 122   1.019  10.406   0.357
  110   HE22  GLN 122          HE22      GLN 122   0.589  11.680  -0.728
  111    H    GLN 123           HN       GLN 123  -3.945   6.537   1.533
  112    HA   GLN 123           HA       GLN 123  -2.561   7.272   3.906
  113    HB2  GLN 123           HB2      GLN 123  -5.298   6.040   3.545
  114    HB3  GLN 123           HB1      GLN 123  -4.697   6.740   5.041
  115    HG2  GLN 123           HG2      GLN 123  -4.908   8.307   2.490
  116    HG3  GLN 123           HG1      GLN 123  -6.233   8.177   3.646
  117   HE21  GLN 123          HE21      GLN 123  -6.216  10.371   4.082
  118   HE22  GLN 123          HE22      GLN 123  -4.968  11.122   5.012
  119    H    ASP 124           HN       ASP 124  -4.099   4.220   2.924
  120    HA   ASP 124           HA       ASP 124  -3.228   2.699   5.101
  121    HB2  ASP 124           HB2      ASP 124  -4.122   2.012   2.321
  122    HB3  ASP 124           HB1      ASP 124  -3.576   0.751   3.420
  123    H    LEU 125           HN       LEU 125  -1.571   3.745   2.251
  124    HA   LEU 125           HA       LEU 125   0.556   1.858   2.426
  125    HB2  LEU 125           HB2      LEU 125  -0.202   2.675   0.320
  126    HB3  LEU 125           HB1      LEU 125  -0.052   4.326   0.852
  127    HG   LEU 125           HG       LEU 125   2.262   4.276   0.707
  128   HD11  LEU 125          HD11      LEU 125   3.483   2.185   0.186
  129   HD12  LEU 125          HD12      LEU 125   1.963   1.318   0.413
  130   HD13  LEU 125          HD13      LEU 125   2.703   2.170   1.769
  131   HD21  LEU 125          HD21      LEU 125   0.964   4.312  -1.422
  132   HD22  LEU 125          HD22      LEU 125   1.318   2.600  -1.539
  133   HD23  LEU 125          HD23      LEU 125   2.630   3.755  -1.572
  134    H    LEU 126           HN       LEU 126  -0.002   5.261   3.087
  135    HA   LEU 126           HA       LEU 126   2.321   6.250   3.920
  136    HB2  LEU 126           HB2      LEU 126  -0.171   7.065   4.075
  137    HB3  LEU 126           HB1      LEU 126  -0.038   6.509   5.729
  138    HG   LEU 126           HG       LEU 126   1.846   8.471   4.496
  139   HD11  LEU 126          HD11      LEU 126  -0.583   9.013   6.200
  140   HD12  LEU 126          HD12      LEU 126  -0.415   9.402   4.488
  141   HD13  LEU 126          HD13      LEU 126   0.599  10.214   5.680
  142   HD21  LEU 126          HD21      LEU 126   2.920   7.613   6.353
  143   HD22  LEU 126          HD22      LEU 126   1.411   7.345   7.230
  144   HD23  LEU 126          HD23      LEU 126   2.057   8.983   7.056
  145    H    THR 127           HN       THR 127   0.153   4.262   5.881
  146    HA   THR 127           HA       THR 127   2.001   4.142   8.072
  147    HB   THR 127           HB       THR 127  -0.341   4.148   8.552
  148    HG1  THR 127           HG1      THR 127  -0.098   1.610   9.373
  149   HG21  THR 127          HG21      THR 127  -1.121   3.085   6.499
  150   HG22  THR 127          HG22      THR 127  -1.791   2.281   7.919
  151   HG23  THR 127          HG23      THR 127  -0.456   1.544   7.034
  152    H    LEU 128           HN       LEU 128   1.560   2.360   5.190
  153    HA   LEU 128           HA       LEU 128   2.979   0.040   6.279
  154    HB2  LEU 128           HB2      LEU 128   1.515   0.518   3.709
  155    HB3  LEU 128           HB1      LEU 128   2.719  -0.741   3.803
  156    HG   LEU 128           HG       LEU 128   0.458  -0.587   5.764
  157   HD11  LEU 128          HD11      LEU 128   0.087  -0.853   3.057
  158   HD12  LEU 128          HD12      LEU 128  -0.995  -1.446   4.308
  159   HD13  LEU 128          HD13      LEU 128   0.205  -2.527   3.603
  160   HD21  LEU 128          HD21      LEU 128   2.301  -1.986   6.395
  161   HD22  LEU 128          HD22      LEU 128   2.326  -2.722   4.792
  162   HD23  LEU 128          HD23      LEU 128   0.965  -3.019   5.876
  163    H    CYS 129           HN       CYS 129   3.933   2.868   5.596
  164    HA   CYS 129           HA       CYS 129   6.059   2.426   3.736
  165    HB2  CYS 129           HB2      CYS 129   5.456   4.692   5.608
  166    HB3  CYS 129           HB1      CYS 129   6.775   4.715   4.447
  167    HA   PRO 130           HA       PRO 130   8.740   2.543   7.743
  168    HB2  PRO 130           HB2      PRO 130   7.502   1.945  10.091
  169    HB3  PRO 130           HB1      PRO 130   7.697   3.593   9.486
  170    HG2  PRO 130           HG2      PRO 130   5.305   1.821   9.433
  171    HG3  PRO 130           HG1      PRO 130   5.403   3.573   9.669
  172    HD2  PRO 130           HD2      PRO 130   4.689   2.362   7.312
  173    HD3  PRO 130           HD1      PRO 130   5.379   3.988   7.416
  174    H    TYR 131           HN       TYR 131   9.446   0.677   6.688
  175    HA   TYR 131           HA       TYR 131   8.582  -1.863   7.912
  176    HB2  TYR 131           HB2      TYR 131   9.136  -1.103   5.107
  177    HB3  TYR 131           HB1      TYR 131   9.792  -2.653   5.616
  178    HD1  TYR 131           HD2      TYR 131   6.614  -0.705   5.494
  179    HD2  TYR 131           HD1      TYR 131   8.442  -4.546   5.641
  180    HE1  TYR 131           HE2      TYR 131   4.433  -1.752   5.099
  181    HE2  TYR 131           HE1      TYR 131   6.259  -5.604   5.249
  182    HH   TYR 131           HH       TYR 131   3.545  -3.880   4.210
  183    H    GLY 132           HN       GLY 132  11.330  -1.014   5.856
  184    HA2  GLY 132           HA2      GLY 132  13.222  -1.252   8.036
  185    HA3  GLY 132           HA1      GLY 132  13.271  -2.573   6.876
  186    H2   PRO  25           HT1      PRO  25 -12.386  16.250   1.027
  187    H3   PRO  25           HT2      PRO  25 -12.129  17.038   2.434
  188    HA   PRO  25           HA       PRO  25 -11.530  15.302   3.518
  189    HB2  PRO  25           HB2      PRO  25 -12.850  13.063   2.373
  190    HB3  PRO  25           HB1      PRO  25 -13.155  13.814   3.946
  191    HG2  PRO  25           HG2      PRO  25 -14.529  14.238   1.352
  192    HG3  PRO  25           HG1      PRO  25 -15.166  14.369   3.001
  193    HD2  PRO  25           HD2      PRO  25 -14.694  16.558   1.551
  194    HD3  PRO  25           HD1      PRO  25 -14.328  16.531   3.286
  195    H    THR  26           HN       THR  26 -10.185  13.352   3.104
  196    HA   THR  26           HA       THR  26  -8.458  13.761   0.938
  197    HB   THR  26           HB       THR  26  -7.663  12.661   2.935
  198    HG1  THR  26           HG1      THR  26  -6.469  12.036   1.192
  199   HG21  THR  26          HG21      THR  26  -8.335  10.376   3.514
  200   HG22  THR  26          HG22      THR  26  -9.501  10.382   2.191
  201   HG23  THR  26          HG23      THR  26  -9.712  11.475   3.558
  202    HA   PRO  27           HA       PRO  27 -10.534  11.418  -2.214
  203    HB2  PRO  27           HB2      PRO  27  -8.672  11.539  -4.128
  204    HB3  PRO  27           HB1      PRO  27  -9.516  12.990  -3.576
  205    HG2  PRO  27           HG2      PRO  27  -6.749  12.071  -2.997
  206    HG3  PRO  27           HG1      PRO  27  -7.379  13.719  -3.152
  207    HD2  PRO  27           HD2      PRO  27  -6.894  12.307  -0.753
  208    HD3  PRO  27           HD1      PRO  27  -7.753  13.849  -0.919
  209    H    GLU  28           HN       GLU  28 -10.531   9.387  -1.052
  210    HA   GLU  28           HA       GLU  28  -8.411   7.582  -0.943
  211    HB2  GLU  28           HB2      GLU  28 -10.239   5.831  -0.760
  212    HB3  GLU  28           HB1      GLU  28 -10.295   7.137   0.414
  213    HG2  GLU  28           HG2      GLU  28 -12.016   8.253  -0.950
  214    HG3  GLU  28           HG1      GLU  28 -11.985   6.886  -2.063
  215    H    MET  29           HN       MET  29  -7.326   6.603  -2.496
  216    HA   MET  29           HA       MET  29  -8.746   5.741  -4.916
  217    HB2  MET  29           HB2      MET  29  -7.551   7.871  -5.389
  218    HB3  MET  29           HB1      MET  29  -6.043   7.098  -4.919
  219    HG2  MET  29           HG2      MET  29  -6.417   5.437  -6.744
  220    HG3  MET  29           HG1      MET  29  -7.794   6.406  -7.264
  221    HE1  MET  29           HE1      MET  29  -6.002   9.811  -8.153
  222    HE2  MET  29           HE2      MET  29  -6.695   9.334  -6.603
  223    HE3  MET  29           HE3      MET  29  -7.550   8.969  -8.102
  224    H    ARG  30           HN       ARG  30  -8.670   3.685  -3.752
  225    HA   ARG  30           HA       ARG  30  -6.317   2.395  -2.983
  226    HB2  ARG  30           HB2      ARG  30  -8.971   1.330  -3.908
  227    HB3  ARG  30           HB1      ARG  30  -7.677   0.268  -3.374
  228    HG2  ARG  30           HG2      ARG  30  -8.824   0.483  -1.428
  229    HG3  ARG  30           HG1      ARG  30  -7.743   1.870  -1.269
  230    HD2  ARG  30           HD2      ARG  30  -9.561   3.244  -2.359
  231    HD3  ARG  30           HD1      ARG  30 -10.620   1.851  -2.153
  232    HE   ARG  30           HE       ARG  30  -9.273   2.910   0.212
  233   HH11  ARG  30          HH11      ARG  30 -12.194   2.537  -1.651
  234   HH12  ARG  30          HH12      ARG  30 -13.238   2.990  -0.346
  235   HH21  ARG  30          HH21      ARG  30 -10.638   3.508   1.936
  236   HH22  ARG  30          HH22      ARG  30 -12.354   3.543   1.693
  237    H    GLU  31           HN       GLU  31  -4.875   1.055  -4.023
  238    HA   GLU  31           HA       GLU  31  -5.132   0.877  -6.946
  239    HB2  GLU  31           HB2      GLU  31  -2.524   1.197  -5.486
  240    HB3  GLU  31           HB1      GLU  31  -2.819   1.323  -7.209
  241    HG2  GLU  31           HG2      GLU  31  -4.118   3.361  -6.846
  242    HG3  GLU  31           HG1      GLU  31  -3.811   3.238  -5.114
  243    H    LYS  32           HN       LYS  32  -5.929  -1.158  -5.094
  244    HA   LYS  32           HA       LYS  32  -5.200  -3.190  -4.165
  245    HB2  LYS  32           HB2      LYS  32  -5.481  -3.505  -7.115
  246    HB3  LYS  32           HB1      LYS  32  -5.636  -4.766  -5.923
  247    HG2  LYS  32           HG2      LYS  32  -7.334  -2.746  -5.072
  248    HG3  LYS  32           HG1      LYS  32  -7.586  -2.900  -6.804
  249    HD2  LYS  32           HD2      LYS  32  -7.464  -5.344  -5.104
  250    HD3  LYS  32           HD1      LYS  32  -8.933  -4.380  -5.145
  251    HE2  LYS  32           HE2      LYS  32  -7.547  -5.641  -7.504
  252    HE3  LYS  32           HE1      LYS  32  -9.057  -6.179  -6.769
  253    HZ1  LYS  32           HZ1      LYS  32  -9.462  -4.889  -8.763
  254    HZ2  LYS  32           HZ2      LYS  32  -8.622  -3.570  -8.119
  255    HZ3  LYS  32           HZ3      LYS  32 -10.071  -4.079  -7.408
  256    H    LEU  33           HN       LEU  33  -3.204  -3.261  -3.385
  257    HA   LEU  33           HA       LEU  33  -0.928  -3.572  -5.192
  258    HB2  LEU  33           HB2      LEU  33  -0.855  -3.137  -2.219
  259    HB3  LEU  33           HB1      LEU  33   0.460  -2.958  -3.358
  260    HG   LEU  33           HG       LEU  33  -1.965  -1.180  -3.136
  261   HD11  LEU  33          HD11      LEU  33   0.946  -0.733  -2.539
  262   HD12  LEU  33          HD12      LEU  33  -0.397  -0.719  -1.396
  263   HD13  LEU  33          HD13      LEU  33  -0.262   0.549  -2.615
  264   HD21  LEU  33          HD21      LEU  33  -0.886  -1.681  -5.485
  265   HD22  LEU  33          HD22      LEU  33   0.306  -0.528  -4.904
  266   HD23  LEU  33          HD23      LEU  33  -1.380  -0.055  -5.019
  267    H    CYS  34           HN       CYS  34   0.471  -5.312  -5.074
  268    HA   CYS  34           HA       CYS  34  -0.222  -7.502  -3.276
  269    HB2  CYS  34           HB2      CYS  34  -1.380  -7.564  -5.651
  270    HB3  CYS  34           HB1      CYS  34   0.191  -8.168  -6.163
  271    H    GLY  35           HN       GLY  35   1.463  -9.236  -5.146
  272    HA2  GLY  35           HA2      GLY  35   3.809  -9.354  -3.819
  273    HA3  GLY  35           HA1      GLY  35   3.669  -9.765  -5.517
  274    H    HIS  36           HN       HIS  36   3.418  -7.402  -6.807
  275    HA   HIS  36           HA       HIS  36   5.880  -5.989  -6.007
  276    HB2  HIS  36           HB2      HIS  36   6.233  -5.486  -8.387
  277    HB3  HIS  36           HB1      HIS  36   6.175  -7.218  -8.082
  278    HD1  HIS  36           HD1      HIS  36   4.590  -4.562 -10.079
  279    HD2  HIS  36           HD2      HIS  36   3.749  -8.471  -8.949
  280    HE1  HIS  36           HE1      HIS  36   2.773  -5.376 -11.638
  281    H    HIS  37           HN       HIS  37   2.553  -5.536  -7.124
  282    HA   HIS  37           HA       HIS  37   2.667  -2.798  -7.661
  283    HB2  HIS  37           HB2      HIS  37   0.313  -4.166  -6.358
  284    HB3  HIS  37           HB1      HIS  37   0.292  -2.714  -7.339
  285    HD1  HIS  37           HD1      HIS  37   0.133  -6.397  -7.585
  286    HD2  HIS  37           HD2      HIS  37   0.703  -3.152 -10.117
  287    HE1  HIS  37           HE1      HIS  37  -0.231  -7.258  -9.935
  288    H    PHE  38           HN       PHE  38   2.592  -4.521  -4.620
  289    HA   PHE  38           HA       PHE  38   2.030  -2.243  -3.006
  290    HB2  PHE  38           HB2      PHE  38   1.766  -4.666  -2.291
  291    HB3  PHE  38           HB1      PHE  38   3.514  -4.729  -2.133
  292    HD1  PHE  38           HD1      PHE  38   0.864  -2.299  -1.074
  293    HD2  PHE  38           HD2      PHE  38   4.190  -4.678   0.068
  294    HE1  PHE  38           HE1      PHE  38   0.654  -1.488   1.220
  295    HE2  PHE  38           HE2      PHE  38   3.995  -3.867   2.360
  296    HZ   PHE  38           HZ       PHE  38   2.229  -2.268   2.946
  297    H    VAL  39           HN       VAL  39   5.052  -4.132  -3.130
  298    HA   VAL  39           HA       VAL  39   6.808  -2.378  -2.032
  299    HB   VAL  39           HB       VAL  39   7.057  -4.465  -4.139
  300   HG11  VAL  39          HG11      VAL  39   9.515  -4.064  -4.303
  301   HG12  VAL  39          HG12      VAL  39   9.249  -2.483  -3.565
  302   HG13  VAL  39          HG13      VAL  39   8.516  -2.866  -5.125
  303   HG21  VAL  39          HG21      VAL  39   8.637  -5.413  -2.533
  304   HG22  VAL  39          HG22      VAL  39   7.086  -5.044  -1.779
  305   HG23  VAL  39          HG23      VAL  39   8.468  -3.980  -1.521
  306    H    ARG  40           HN       ARG  40   5.352  -2.118  -5.202
  307    HA   ARG  40           HA       ARG  40   7.095  -0.082  -6.199
  308    HB2  ARG  40           HB2      ARG  40   5.456  -1.643  -7.473
  309    HB3  ARG  40           HB1      ARG  40   4.237  -0.451  -7.066
  310    HG2  ARG  40           HG2      ARG  40   5.691   1.273  -8.155
  311    HG3  ARG  40           HG1      ARG  40   6.701  -0.053  -8.737
  312    HD2  ARG  40           HD2      ARG  40   5.178   0.481 -10.484
  313    HD3  ARG  40           HD1      ARG  40   4.643  -1.040  -9.770
  314    HE   ARG  40           HE       ARG  40   3.192   0.782  -8.420
  315   HH11  ARG  40          HH11      ARG  40   3.749   0.256 -11.821
  316   HH12  ARG  40          HH12      ARG  40   2.207   0.880 -12.301
  317   HH21  ARG  40          HH21      ARG  40   1.157   1.604  -9.047
  318   HH22  ARG  40          HH22      ARG  40   0.735   1.646 -10.726
  319    H    ALA  41           HN       ALA  41   3.659   0.074  -5.231
  320    HA   ALA  41           HA       ALA  41   3.423   2.816  -5.022
  321    HB1  ALA  41           HB1      ALA  41   1.428   2.442  -3.948
  322    HB2  ALA  41           HB2      ALA  41   2.079   1.138  -2.954
  323    HB3  ALA  41           HB3      ALA  41   1.695   0.846  -4.655
  324    H    LEU  42           HN       LEU  42   4.993   0.525  -3.000
  325    HA   LEU  42           HA       LEU  42   5.226   2.048  -0.629
  326    HB2  LEU  42           HB2      LEU  42   6.887  -0.204  -1.782
  327    HB3  LEU  42           HB1      LEU  42   7.227   0.483  -0.232
  328    HG   LEU  42           HG       LEU  42   5.605  -1.706  -0.793
  329   HD11  LEU  42          HD11      LEU  42   5.192  -1.700   1.603
  330   HD12  LEU  42          HD12      LEU  42   5.739  -0.027   1.697
  331   HD13  LEU  42          HD13      LEU  42   6.870  -1.302   1.252
  332   HD21  LEU  42          HD21      LEU  42   3.843   0.004  -1.380
  333   HD22  LEU  42          HD22      LEU  42   3.911   0.466   0.314
  334   HD23  LEU  42          HD23      LEU  42   3.426  -1.159  -0.124
  335    H    VAL  43           HN       VAL  43   7.532   1.355  -3.250
  336    HA   VAL  43           HA       VAL  43   9.552   3.086  -2.522
  337    HB   VAL  43           HB       VAL  43   9.349   1.264  -4.398
  338   HG11  VAL  43          HG11      VAL  43   7.875   3.258  -5.587
  339   HG12  VAL  43          HG12      VAL  43   8.559   1.840  -6.376
  340   HG13  VAL  43          HG13      VAL  43   9.446   3.367  -6.382
  341   HG21  VAL  43          HG21      VAL  43  11.385   2.124  -5.415
  342   HG22  VAL  43          HG22      VAL  43  11.405   2.275  -3.658
  343   HG23  VAL  43          HG23      VAL  43  11.101   3.694  -4.660
  344    H    ARG  44           HN       ARG  44   6.446   3.822  -3.702
  345    HA   ARG  44           HA       ARG  44   7.071   6.337  -4.932
  346    HB2  ARG  44           HB2      ARG  44   5.114   5.072  -5.622
  347    HB3  ARG  44           HB1      ARG  44   4.461   5.194  -3.998
  348    HG2  ARG  44           HG2      ARG  44   4.368   7.648  -4.256
  349    HG3  ARG  44           HG1      ARG  44   4.900   7.454  -5.921
  350    HD2  ARG  44           HD2      ARG  44   2.588   7.610  -6.115
  351    HD3  ARG  44           HD1      ARG  44   2.886   5.873  -6.161
  352    HE   ARG  44           HE       ARG  44   2.444   6.343  -3.541
  353   HH11  ARG  44          HH11      ARG  44   0.676   7.134  -6.437
  354   HH12  ARG  44          HH12      ARG  44  -0.868   7.122  -5.651
  355   HH21  ARG  44          HH21      ARG  44   0.418   6.328  -2.498
  356   HH22  ARG  44          HH22      ARG  44  -1.014   6.667  -3.411
  357    H    VAL  45           HN       VAL  45   4.787   5.852  -2.273
  358    HA   VAL  45           HA       VAL  45   5.448   8.459  -1.204
  359    HB   VAL  45           HB       VAL  45   3.249   8.324  -0.779
  360   HG11  VAL  45          HG11      VAL  45   2.806   6.422  -2.079
  361   HG12  VAL  45          HG12      VAL  45   2.028   6.121  -0.516
  362   HG13  VAL  45          HG13      VAL  45   3.566   5.341  -0.907
  363   HG21  VAL  45          HG21      VAL  45   4.269   6.612   1.477
  364   HG22  VAL  45          HG22      VAL  45   2.605   7.187   1.378
  365   HG23  VAL  45          HG23      VAL  45   3.936   8.345   1.491
  366    H    CYS  46           HN       CYS  46   6.016   5.118  -0.415
  367    HA   CYS  46           HA       CYS  46   7.264   5.815   2.124
  368    HB2  CYS  46           HB2      CYS  46   7.087   3.052   0.927
  369    HB3  CYS  46           HB1      CYS  46   7.229   3.509   2.624
  370    H    GLY  47           HN       GLY  47   8.366   6.591  -0.521
  371    HA2  GLY  47           HA2      GLY  47  10.464   5.307  -1.556
  372    HA3  GLY  47           HA1      GLY  47  10.576   7.011  -1.140
  373    H    GLY  48           HN       GLY  48  11.640   3.851  -0.452
  374    HA2  GLY  48           HA2      GLY  48  13.115   4.801   1.923
  375    HA3  GLY  48           HA1      GLY  48  12.618   3.138   1.672
  376    HA   PRO  49           HA       PRO  49  16.963   3.745   0.036
  377    HB2  PRO  49           HB2      PRO  49  18.048   2.402   2.345
  378    HB3  PRO  49           HB1      PRO  49  18.307   4.070   1.833
  379    HG2  PRO  49           HG2      PRO  49  16.945   3.376   4.106
  380    HG3  PRO  49           HG1      PRO  49  16.666   4.882   3.211
  381    HD2  PRO  49           HD2      PRO  49  15.130   2.311   3.108
  382    HD3  PRO  49           HD1      PRO  49  14.506   3.972   3.183
  383    H    LYS  50           HN       LYS  50  15.040   1.201   1.289
  384    HA   LYS  50           HA       LYS  50  16.737  -0.967   0.458
  385    HB2  LYS  50           HB2      LYS  50  13.883  -0.815   1.419
  386    HB3  LYS  50           HB1      LYS  50  14.595  -2.321   0.862
  387    HG2  LYS  50           HG2      LYS  50  14.741  -2.285   3.232
  388    HG3  LYS  50           HG1      LYS  50  16.368  -2.038   2.599
  389    HD2  LYS  50           HD2      LYS  50  16.026  -0.520   4.424
  390    HD3  LYS  50           HD1      LYS  50  16.055   0.412   2.927
  391    HE2  LYS  50           HE2      LYS  50  14.268   1.276   4.209
  392    HE3  LYS  50           HE1      LYS  50  13.534   0.294   2.944
  393    HZ1  LYS  50           HZ       LYS  50  12.579  -0.918   4.609
  394    H    TRP  51           HN       TRP  51  13.376  -0.378  -0.524
  395    HA   TRP  51           HA       TRP  51  13.638  -1.673  -3.001
  396    HB2  TRP  51           HB2      TRP  51  11.495  -0.119  -3.466
  397    HB3  TRP  51           HB1      TRP  51  11.425  -1.566  -2.472
  398    HD1  TRP  51           HD1      TRP  51  12.147   2.211  -1.827
  399    HE1  TRP  51           HE1      TRP  51  10.972   2.854   0.371
  400    HE3  TRP  51           HE3      TRP  51  10.147  -2.319  -0.617
  401    HZ2  TRP  51           HZ2      TRP  51   9.414   1.612   2.357
  402    HZ3  TRP  51           HZ3      TRP  51   8.833  -2.520   1.455
  403    HH2  TRP  51           HH2      TRP  51   8.467  -0.591   2.912
  Start of MODEL   20
    1    H1   ALA 106           HT1      ALA 106  -9.357  -6.310  15.808
    2    H2   ALA 106           HT2      ALA 106 -11.016  -6.243  16.129
    3    H3   ALA 106           HT3      ALA 106 -10.460  -6.146  14.535
    4    HA   ALA 106           HA       ALA 106 -10.171  -8.497  16.313
    5    HB1  ALA 106           HB1      ALA 106 -12.496  -8.093  15.644
    6    HB2  ALA 106           HB2      ALA 106 -11.847  -9.564  14.920
    7    HB3  ALA 106           HB3      ALA 106 -12.003  -8.099  13.951
    8    H    ALA 107           HN       ALA 107  -7.905  -7.551  15.240
    9    HA   ALA 107           HA       ALA 107  -6.110  -8.127  13.970
   10    HB1  ALA 107           HB1      ALA 107  -6.007 -10.393  13.067
   11    HB2  ALA 107           HB2      ALA 107  -7.737 -10.589  13.347
   12    HB3  ALA 107           HB3      ALA 107  -6.639 -10.393  14.713
   13    H    ALA 108           HN       ALA 108  -5.416  -8.681  11.668
   14    HA   ALA 108           HA       ALA 108  -7.400  -7.689   9.733
   15    HB1  ALA 108           HB1      ALA 108  -5.868  -5.882  10.281
   16    HB2  ALA 108           HB2      ALA 108  -5.623  -6.420   8.621
   17    HB3  ALA 108           HB3      ALA 108  -4.491  -6.908   9.881
   18    H    THR 109           HN       THR 109  -6.848  -8.218   7.468
   19    HA   THR 109           HA       THR 109  -5.948 -10.972   7.300
   20    HB   THR 109           HB       THR 109  -6.737 -10.866   4.958
   21    HG1  THR 109           HG1      THR 109  -6.623  -8.208   5.442
   22   HG21  THR 109          HG21      THR 109  -8.321 -11.526   6.665
   23   HG22  THR 109          HG22      THR 109  -9.140 -10.525   5.466
   24   HG23  THR 109          HG23      THR 109  -8.684  -9.838   7.025
   25    H    ASN 110           HN       ASN 110  -3.829  -9.409   7.951
   26    HA   ASN 110           HA       ASN 110  -1.670  -8.994   7.412
   27    HB2  ASN 110           HB2      ASN 110  -2.413 -10.699   5.039
   28    HB3  ASN 110           HB1      ASN 110  -0.784 -10.084   5.293
   29   HD21  ASN 110          HD21      ASN 110   0.106 -12.106   5.535
   30   HD22  ASN 110          HD22      ASN 110  -0.176 -13.093   6.925
   31    HA   PRO 111           HA       PRO 111  -1.476  -5.237   5.139
   32    HB2  PRO 111           HB2      PRO 111   1.218  -6.059   4.196
   33    HB3  PRO 111           HB1      PRO 111   0.728  -4.625   5.089
   34    HG2  PRO 111           HG2      PRO 111   2.036  -6.580   6.310
   35    HG3  PRO 111           HG1      PRO 111   0.699  -5.745   7.126
   36    HD2  PRO 111           HD2      PRO 111   0.708  -8.417   5.758
   37    HD3  PRO 111           HD1      PRO 111  -0.032  -7.950   7.305
   38    H    ALA 112           HN       ALA 112   0.817  -6.668   2.985
   39    HA   ALA 112           HA       ALA 112  -0.295  -5.830   0.643
   40    HB1  ALA 112           HB1      ALA 112   1.309  -8.355   1.000
   41    HB2  ALA 112           HB2      ALA 112   1.976  -6.726   0.879
   42    HB3  ALA 112           HB3      ALA 112   1.118  -7.431  -0.492
   43    H    ARG 113           HN       ARG 113  -1.023  -8.827   2.368
   44    HA   ARG 113           HA       ARG 113  -2.491 -10.112   0.378
   45    HB2  ARG 113           HB2      ARG 113  -2.634 -10.190   3.382
   46    HB3  ARG 113           HB1      ARG 113  -3.696 -11.166   2.385
   47    HG2  ARG 113           HG2      ARG 113  -1.854 -12.519   3.047
   48    HG3  ARG 113           HG1      ARG 113  -1.681 -12.172   1.327
   49    HD2  ARG 113           HD2      ARG 113  -0.092 -10.369   1.883
   50    HD3  ARG 113           HD1      ARG 113  -0.233 -10.793   3.587
   51    HE   ARG 113           HE       ARG 113   0.502 -13.110   2.292
   52   HH11  ARG 113          HH11      ARG 113   1.818  -9.908   2.693
   53   HH12  ARG 113          HH12      ARG 113   3.465 -10.431   2.582
   54   HH21  ARG 113          HH21      ARG 113   2.671 -13.807   2.143
   55   HH22  ARG 113          HH22      ARG 113   3.950 -12.645   2.268
   56    H    TYR 114           HN       TYR 114  -3.455  -7.730   2.801
   57    HA   TYR 114           HA       TYR 114  -6.206  -7.707   1.905
   58    HB2  TYR 114           HB2      TYR 114  -5.912  -7.274   4.219
   59    HB3  TYR 114           HB1      TYR 114  -4.651  -6.084   3.920
   60    HD1  TYR 114           HD1      TYR 114  -8.251  -6.745   3.891
   61    HD2  TYR 114           HD2      TYR 114  -5.223  -3.807   3.364
   62    HE1  TYR 114           HE1      TYR 114  -9.948  -4.986   4.005
   63    HE2  TYR 114           HE2      TYR 114  -6.920  -2.032   3.473
   64    HH   TYR 114           HH       TYR 114 -10.101  -2.592   4.529
   65    H    CYS 115           HN       CYS 115  -3.276  -6.057   1.188
   66    HA   CYS 115           HA       CYS 115  -4.456  -3.720   0.026
   67    HB2  CYS 115           HB2      CYS 115  -1.673  -4.888  -0.053
   68    HB3  CYS 115           HB1      CYS 115  -2.097  -3.393  -0.878
   69    H    CYS 116           HN       CYS 116  -4.008  -6.923  -0.988
   70    HA   CYS 116           HA       CYS 116  -3.983  -6.231  -3.826
   71    HB2  CYS 116           HB2      CYS 116  -2.475  -8.016  -2.969
   72    HB3  CYS 116           HB1      CYS 116  -3.890  -8.952  -2.505
   73    H    LEU 117           HN       LEU 117  -5.843  -8.403  -1.693
   74    HA   LEU 117           HA       LEU 117  -7.892  -9.028  -3.428
   75    HB2  LEU 117           HB2      LEU 117  -7.986  -8.692  -0.450
   76    HB3  LEU 117           HB1      LEU 117  -9.258  -9.441  -1.390
   77    HG   LEU 117           HG       LEU 117  -6.421 -10.463  -1.203
   78   HD11  LEU 117          HD11      LEU 117  -7.372 -12.252   0.168
   79   HD12  LEU 117          HD12      LEU 117  -8.942 -11.451   0.125
   80   HD13  LEU 117          HD13      LEU 117  -7.578 -10.673   0.927
   81   HD21  LEU 117          HD21      LEU 117  -7.483 -11.050  -3.306
   82   HD22  LEU 117          HD22      LEU 117  -8.902 -11.650  -2.446
   83   HD23  LEU 117          HD23      LEU 117  -7.352 -12.472  -2.272
   84    H    SER 118           HN       SER 118  -8.694  -6.960  -0.684
   85    HA   SER 118           HA       SER 118 -10.750  -5.657  -2.152
   86    HB2  SER 118           HB2      SER 118 -11.015  -4.264  -0.122
   87    HB3  SER 118           HB1      SER 118 -10.946  -5.985   0.261
   88    HG   SER 118           HG       SER 118  -8.507  -5.330   0.422
   89    H    GLY 119           HN       GLY 119  -7.681  -4.459  -0.785
   90    HA2  GLY 119           HA2      GLY 119  -6.555  -3.104  -2.753
   91    HA3  GLY 119           HA1      GLY 119  -7.915  -2.046  -2.417
   92    H    CYS 120           HN       CYS 120  -5.812  -0.704  -2.129
   93    HA   CYS 120           HA       CYS 120  -5.553  -0.206   0.681
   94    HB2  CYS 120           HB2      CYS 120  -3.478  -1.718  -0.727
   95    HB3  CYS 120           HB1      CYS 120  -2.862  -0.276   0.073
   96    H    THR 121           HN       THR 121  -5.852   1.909   0.690
   97    HA   THR 121           HA       THR 121  -5.383   3.587  -1.528
   98    HB   THR 121           HB       THR 121  -6.120   5.384  -0.202
   99    HG1  THR 121           HG1      THR 121  -6.209   4.603   2.275
  100   HG21  THR 121          HG21      THR 121  -7.741   3.447  -0.527
  101   HG22  THR 121          HG22      THR 121  -8.129   4.591   0.760
  102   HG23  THR 121          HG23      THR 121  -7.413   3.031   1.156
  103    H    GLN 122           HN       GLN 122  -4.118   5.720  -1.149
  104    HA   GLN 122           HA       GLN 122  -1.371   5.075  -1.128
  105    HB2  GLN 122           HB2      GLN 122  -2.301   6.941  -2.413
  106    HB3  GLN 122           HB1      GLN 122  -2.754   7.760  -0.930
  107    HG2  GLN 122           HG2      GLN 122  -0.305   7.773  -0.334
  108    HG3  GLN 122           HG1      GLN 122   0.004   7.244  -1.986
  109   HE21  GLN 122          HE21      GLN 122   0.744   9.719  -0.588
  110   HE22  GLN 122          HE22      GLN 122   0.109  11.006  -1.552
  111    H    GLN 123           HN       GLN 123  -3.529   6.398   1.296
  112    HA   GLN 123           HA       GLN 123  -1.457   7.133   3.135
  113    HB2  GLN 123           HB2      GLN 123  -4.423   6.706   3.570
  114    HB3  GLN 123           HB1      GLN 123  -3.325   7.421   4.741
  115    HG2  GLN 123           HG2      GLN 123  -3.590   8.599   2.010
  116    HG3  GLN 123           HG1      GLN 123  -4.788   8.949   3.255
  117   HE21  GLN 123          HE21      GLN 123  -2.818  10.678   1.902
  118   HE22  GLN 123          HE22      GLN 123  -1.896  11.406   3.169
  119    H    ASP 124           HN       ASP 124  -3.572   4.311   2.767
  120    HA   ASP 124           HA       ASP 124  -2.746   3.043   5.175
  121    HB2  ASP 124           HB2      ASP 124  -4.039   1.977   2.659
  122    HB3  ASP 124           HB1      ASP 124  -3.677   0.959   4.050
  123    H    LEU 125           HN       LEU 125  -1.423   3.425   2.067
  124    HA   LEU 125           HA       LEU 125   0.460   1.267   2.164
  125    HB2  LEU 125           HB2      LEU 125   0.106   1.717  -0.007
  126    HB3  LEU 125           HB1      LEU 125  -0.712   3.195   0.383
  127    HG   LEU 125           HG       LEU 125   1.369   4.392   0.346
  128   HD11  LEU 125          HD11      LEU 125   3.300   3.072  -0.747
  129   HD12  LEU 125          HD12      LEU 125   2.451   1.665  -0.116
  130   HD13  LEU 125          HD13      LEU 125   3.038   2.905   0.987
  131   HD21  LEU 125          HD21      LEU 125   0.009   4.102  -1.673
  132   HD22  LEU 125          HD22      LEU 125   0.966   2.682  -2.047
  133   HD23  LEU 125          HD23      LEU 125   1.726   4.251  -2.041
  134    H    LEU 126           HN       LEU 126   0.251   4.686   2.590
  135    HA   LEU 126           HA       LEU 126   2.902   5.397   2.965
  136    HB2  LEU 126           HB2      LEU 126   1.767   7.326   2.939
  137    HB3  LEU 126           HB1      LEU 126   0.275   6.517   3.331
  138    HG   LEU 126           HG       LEU 126   1.071   6.578   5.752
  139   HD11  LEU 126          HD11      LEU 126   2.614   8.413   6.294
  140   HD12  LEU 126          HD12      LEU 126   2.913   8.654   4.572
  141   HD13  LEU 126          HD13      LEU 126   3.398   7.147   5.350
  142   HD21  LEU 126          HD21      LEU 126  -0.761   7.916   5.018
  143   HD22  LEU 126          HD22      LEU 126   0.326   9.076   4.252
  144   HD23  LEU 126          HD23      LEU 126   0.290   8.927   6.010
  145    H    THR 127           HN       THR 127   0.500   4.204   5.267
  146    HA   THR 127           HA       THR 127   2.315   4.462   7.498
  147    HB   THR 127           HB       THR 127  -0.002   4.976   7.893
  148    HG1  THR 127           HG1      THR 127   0.413   4.177   9.806
  149   HG21  THR 127          HG21      THR 127  -1.731   3.255   7.749
  150   HG22  THR 127          HG22      THR 127  -0.539   2.108   7.135
  151   HG23  THR 127          HG23      THR 127  -0.968   3.528   6.183
  152    H    LEU 128           HN       LEU 128   1.743   2.065   5.163
  153    HA   LEU 128           HA       LEU 128   2.292  -0.136   6.952
  154    HB2  LEU 128           HB2      LEU 128   1.561   0.093   4.101
  155    HB3  LEU 128           HB1      LEU 128   2.579  -1.263   4.527
  156    HG   LEU 128           HG       LEU 128   0.103  -0.687   6.086
  157   HD11  LEU 128          HD11      LEU 128  -0.135  -0.883   3.452
  158   HD12  LEU 128          HD12      LEU 128  -1.276  -1.624   4.555
  159   HD13  LEU 128          HD13      LEU 128  -0.006  -2.604   3.823
  160   HD21  LEU 128          HD21      LEU 128   1.719  -2.297   6.936
  161   HD22  LEU 128          HD22      LEU 128   1.640  -3.167   5.404
  162   HD23  LEU 128          HD23      LEU 128   0.220  -3.097   6.448
  163    H    CYS 129           HN       CYS 129   4.123   1.979   4.933
  164    HA   CYS 129           HA       CYS 129   6.362   0.760   4.200
  165    HB2  CYS 129           HB2      CYS 129   5.829   3.274   4.370
  166    HB3  CYS 129           HB1      CYS 129   6.651   3.200   5.919
  167    HA   PRO 130           HA       PRO 130   8.264   0.947   8.843
  168    HB2  PRO 130           HB2      PRO 130   5.641   0.154  10.041
  169    HB3  PRO 130           HB1      PRO 130   6.973   1.072  10.755
  170    HG2  PRO 130           HG2      PRO 130   4.799   2.318   9.870
  171    HG3  PRO 130           HG1      PRO 130   6.410   3.020   9.628
  172    HD2  PRO 130           HD2      PRO 130   4.605   1.709   7.665
  173    HD3  PRO 130           HD1      PRO 130   5.801   2.992   7.420
  174    H    TYR 131           HN       TYR 131   5.787  -1.273   7.623
  175    HA   TYR 131           HA       TYR 131   6.495  -3.552   9.037
  176    HB2  TYR 131           HB2      TYR 131   5.078  -4.692   7.670
  177    HB3  TYR 131           HB1      TYR 131   4.579  -3.064   7.247
  178    HD1  TYR 131           HD2      TYR 131   6.710  -5.901   6.140
  179    HD2  TYR 131           HD1      TYR 131   4.709  -2.317   5.015
  180    HE1  TYR 131           HE2      TYR 131   7.164  -6.396   3.777
  181    HE2  TYR 131           HE1      TYR 131   5.156  -2.806   2.650
  182    HH   TYR 131           HH       TYR 131   6.298  -5.843   1.580
  183    H    GLY 132           HN       GLY 132   7.861  -2.329   6.003
  184    HA2  GLY 132           HA2      GLY 132  10.261  -3.918   6.541
  185    HA3  GLY 132           HA1      GLY 132   9.437  -4.198   5.016
  186    H2   PRO  25           HT1      PRO  25 -10.978  11.773   4.223
  187    H3   PRO  25           HT2      PRO  25 -10.036  12.347   3.020
  188    HA   PRO  25           HA       PRO  25  -8.699  10.696   3.035
  189    HB2  PRO  25           HB2      PRO  25  -8.478   9.715   5.670
  190    HB3  PRO  25           HB1      PRO  25  -7.295  10.692   4.789
  191    HG2  PRO  25           HG2      PRO  25  -9.394  11.543   6.715
  192    HG3  PRO  25           HG1      PRO  25  -7.787  12.233   6.423
  193    HD2  PRO  25           HD2      PRO  25  -9.966  13.480   5.539
  194    HD3  PRO  25           HD1      PRO  25  -8.503  13.417   4.539
  195    H    THR  26           HN       THR  26 -11.783  10.768   3.648
  196    HA   THR  26           HA       THR  26 -12.222   8.037   4.440
  197    HB   THR  26           HB       THR  26 -14.288  10.045   3.583
  198    HG1  THR  26           HG1      THR  26 -14.526  10.428   5.815
  199   HG21  THR  26          HG21      THR  26 -15.827   8.602   4.859
  200   HG22  THR  26          HG22      THR  26 -14.508   7.466   5.141
  201   HG23  THR  26          HG23      THR  26 -15.091   7.750   3.502
  202    HA   PRO  27           HA       PRO  27 -13.627   7.690  -0.073
  203    HB2  PRO  27           HB2      PRO  27 -13.459   9.868  -1.676
  204    HB3  PRO  27           HB1      PRO  27 -14.821   9.575  -0.594
  205    HG2  PRO  27           HG2      PRO  27 -12.687  11.572  -0.397
  206    HG3  PRO  27           HG1      PRO  27 -14.257  11.526   0.417
  207    HD2  PRO  27           HD2      PRO  27 -11.665  10.756   1.455
  208    HD3  PRO  27           HD1      PRO  27 -13.211  10.826   2.312
  209    H    GLU  28           HN       GLU  28 -10.960   7.349   0.830
  210    HA   GLU  28           HA       GLU  28  -9.164   8.188  -1.261
  211    HB2  GLU  28           HB2      GLU  28  -8.761   6.257   1.030
  212    HB3  GLU  28           HB1      GLU  28  -7.493   6.865  -0.022
  213    HG2  GLU  28           HG2      GLU  28  -9.183   8.498   1.855
  214    HG3  GLU  28           HG1      GLU  28  -7.495   8.043   2.089
  215    H    MET  29           HN       MET  29  -8.423   7.010  -2.955
  216    HA   MET  29           HA       MET  29  -9.959   4.721  -3.750
  217    HB2  MET  29           HB2      MET  29  -9.091   6.536  -5.289
  218    HB3  MET  29           HB1      MET  29  -7.499   5.814  -5.110
  219    HG2  MET  29           HG2      MET  29  -8.499   5.041  -7.146
  220    HG3  MET  29           HG1      MET  29  -8.382   3.700  -6.006
  221    HE1  MET  29           HE1      MET  29 -10.984   6.656  -6.008
  222    HE2  MET  29           HE2      MET  29 -12.304   5.948  -6.938
  223    HE3  MET  29           HE3      MET  29 -10.766   6.303  -7.723
  224    H    ARG  30           HN       ARG  30  -9.559   2.702  -3.194
  225    HA   ARG  30           HA       ARG  30  -7.024   1.924  -2.043
  226    HB2  ARG  30           HB2      ARG  30  -9.702   0.663  -2.394
  227    HB3  ARG  30           HB1      ARG  30  -8.323  -0.372  -2.067
  228    HG2  ARG  30           HG2      ARG  30  -9.083  -0.017   0.036
  229    HG3  ARG  30           HG1      ARG  30  -7.956   1.329  -0.104
  230    HD2  ARG  30           HD2      ARG  30  -9.902   2.723  -0.881
  231    HD3  ARG  30           HD1      ARG  30 -10.948   1.379  -0.429
  232    HE   ARG  30           HE       ARG  30  -9.361   1.982   1.776
  233   HH11  ARG  30          HH11      ARG  30 -11.857   3.482  -0.137
  234   HH12  ARG  30          HH12      ARG  30 -12.467   4.435   1.174
  235   HH21  ARG  30          HH21      ARG  30 -10.158   3.233   3.507
  236   HH22  ARG  30          HH22      ARG  30 -11.501   4.295   3.245
  237    H    GLU  31           HN       GLU  31  -5.358   1.341  -3.335
  238    HA   GLU  31           HA       GLU  31  -5.895   0.219  -5.955
  239    HB2  GLU  31           HB2      GLU  31  -3.205   0.688  -4.685
  240    HB3  GLU  31           HB1      GLU  31  -3.547   0.364  -6.377
  241    HG2  GLU  31           HG2      GLU  31  -4.204   2.836  -4.818
  242    HG3  GLU  31           HG1      GLU  31  -3.145   2.660  -6.209
  243    H    LYS  32           HN       LYS  32  -5.500  -1.903  -6.546
  244    HA   LYS  32           HA       LYS  32  -5.485  -3.807  -4.418
  245    HB2  LYS  32           HB2      LYS  32  -5.593  -3.976  -7.392
  246    HB3  LYS  32           HB1      LYS  32  -5.493  -5.409  -6.393
  247    HG2  LYS  32           HG2      LYS  32  -7.528  -4.288  -5.154
  248    HG3  LYS  32           HG1      LYS  32  -7.722  -3.479  -6.711
  249    HD2  LYS  32           HD2      LYS  32  -7.503  -5.848  -7.707
  250    HD3  LYS  32           HD1      LYS  32  -7.865  -6.402  -6.074
  251    HE2  LYS  32           HE2      LYS  32  -9.914  -6.310  -7.323
  252    HE3  LYS  32           HE1      LYS  32  -9.928  -5.022  -6.121
  253    HZ1  LYS  32           HZ1      LYS  32  -9.304  -4.711  -9.007
  254    HZ2  LYS  32           HZ2      LYS  32  -9.253  -3.467  -7.863
  255    HZ3  LYS  32           HZ3      LYS  32 -10.724  -4.213  -8.233
  256    H    LEU  33           HN       LEU  33  -3.234  -2.537  -4.088
  257    HA   LEU  33           HA       LEU  33  -0.920  -3.375  -5.384
  258    HB2  LEU  33           HB2      LEU  33  -1.061  -2.791  -2.438
  259    HB3  LEU  33           HB1      LEU  33   0.259  -2.490  -3.545
  260    HG   LEU  33           HG       LEU  33  -2.354  -0.998  -3.455
  261   HD11  LEU  33          HD11      LEU  33   0.452  -0.074  -2.883
  262   HD12  LEU  33          HD12      LEU  33  -0.770  -0.432  -1.660
  263   HD13  LEU  33          HD13      LEU  33  -1.016   0.899  -2.792
  264   HD21  LEU  33          HD21      LEU  33  -1.579  -1.256  -5.746
  265   HD22  LEU  33          HD22      LEU  33  -0.017  -0.620  -5.268
  266   HD23  LEU  33          HD23      LEU  33  -1.430   0.413  -5.195
  267    H    CYS  34           HN       CYS  34  -0.382  -5.438  -5.704
  268    HA   CYS  34           HA       CYS  34  -1.009  -7.412  -3.635
  269    HB2  CYS  34           HB2      CYS  34  -1.418  -7.525  -6.315
  270    HB3  CYS  34           HB1      CYS  34   0.121  -8.365  -6.185
  271    H    GLY  35           HN       GLY  35   1.676  -7.320  -5.968
  272    HA2  GLY  35           HA2      GLY  35   3.483  -7.888  -3.699
  273    HA3  GLY  35           HA1      GLY  35   3.685  -8.598  -5.295
  274    H    HIS  36           HN       HIS  36   4.674  -7.435  -6.910
  275    HA   HIS  36           HA       HIS  36   6.454  -5.400  -6.141
  276    HB2  HIS  36           HB2      HIS  36   6.882  -5.124  -8.568
  277    HB3  HIS  36           HB1      HIS  36   6.925  -6.810  -8.065
  278    HD1  HIS  36           HD1      HIS  36   5.250  -4.517 -10.406
  279    HD2  HIS  36           HD2      HIS  36   4.621  -8.320  -8.856
  280    HE1  HIS  36           HE1      HIS  36   3.546  -5.623 -11.911
  281    H    HIS  37           HN       HIS  37   3.147  -5.332  -6.882
  282    HA   HIS  37           HA       HIS  37   2.976  -2.650  -7.867
  283    HB2  HIS  37           HB2      HIS  37   0.793  -4.241  -6.504
  284    HB3  HIS  37           HB1      HIS  37   0.593  -2.872  -7.590
  285    HD1  HIS  37           HD1      HIS  37   0.950  -6.551  -7.572
  286    HD2  HIS  37           HD2      HIS  37   1.142  -3.443 -10.324
  287    HE1  HIS  37           HE1      HIS  37   0.773  -7.615  -9.859
  288    H    PHE  38           HN       PHE  38   2.560  -4.191  -4.689
  289    HA   PHE  38           HA       PHE  38   1.926  -1.734  -3.395
  290    HB2  PHE  38           HB2      PHE  38   1.319  -4.039  -2.512
  291    HB3  PHE  38           HB1      PHE  38   3.002  -4.208  -2.028
  292    HD1  PHE  38           HD1      PHE  38   1.937  -0.827  -1.743
  293    HD2  PHE  38           HD2      PHE  38   1.781  -4.583   0.256
  294    HE1  PHE  38           HE1      PHE  38   1.466   0.309   0.367
  295    HE2  PHE  38           HE2      PHE  38   1.324  -3.440   2.364
  296    HZ   PHE  38           HZ       PHE  38   1.171  -0.985   2.418
  297    H    VAL  39           HN       VAL  39   4.881  -3.680  -3.692
  298    HA   VAL  39           HA       VAL  39   6.568  -2.130  -2.093
  299    HB   VAL  39           HB       VAL  39   7.129  -3.785  -4.559
  300   HG11  VAL  39          HG11      VAL  39   9.522  -3.672  -3.920
  301   HG12  VAL  39          HG12      VAL  39   9.116  -2.403  -2.765
  302   HG13  VAL  39          HG13      VAL  39   8.872  -2.136  -4.491
  303   HG21  VAL  39          HG21      VAL  39   8.096  -5.349  -2.933
  304   HG22  VAL  39          HG22      VAL  39   6.393  -5.024  -2.609
  305   HG23  VAL  39          HG23      VAL  39   7.639  -4.256  -1.626
  306    H    ARG  40           HN       ARG  40   5.513  -1.685  -5.417
  307    HA   ARG  40           HA       ARG  40   7.271   0.476  -6.027
  308    HB2  ARG  40           HB2      ARG  40   5.623  -1.129  -7.457
  309    HB3  ARG  40           HB1      ARG  40   4.649   0.324  -7.386
  310    HG2  ARG  40           HG2      ARG  40   6.680   1.567  -8.226
  311    HG3  ARG  40           HG1      ARG  40   7.391  -0.010  -8.562
  312    HD2  ARG  40           HD2      ARG  40   5.552  -0.555 -10.046
  313    HD3  ARG  40           HD1      ARG  40   4.760   0.972  -9.661
  314    HE   ARG  40           HE       ARG  40   7.428   1.139 -10.806
  315   HH11  ARG  40          HH11      ARG  40   3.982   1.300 -11.304
  316   HH12  ARG  40          HH12      ARG  40   4.110   2.163 -12.801
  317   HH21  ARG  40          HH21      ARG  40   7.603   2.275 -12.778
  318   HH22  ARG  40          HH22      ARG  40   6.166   2.713 -13.639
  319    H    ALA  41           HN       ALA  41   3.762   0.353  -5.438
  320    HA   ALA  41           HA       ALA  41   3.272   3.058  -5.177
  321    HB1  ALA  41           HB1      ALA  41   1.236   2.484  -4.192
  322    HB2  ALA  41           HB2      ALA  41   1.908   1.058  -3.399
  323    HB3  ALA  41           HB3      ALA  41   1.637   1.054  -5.145
  324    H    LEU  42           HN       LEU  42   4.952   0.876  -3.177
  325    HA   LEU  42           HA       LEU  42   4.789   2.394  -0.746
  326    HB2  LEU  42           HB2      LEU  42   6.152  -0.070  -1.654
  327    HB3  LEU  42           HB1      LEU  42   6.758   0.718  -0.222
  328    HG   LEU  42           HG       LEU  42   3.865   0.022  -0.523
  329   HD11  LEU  42          HD11      LEU  42   4.301  -2.129  -0.315
  330   HD12  LEU  42          HD12      LEU  42   5.121  -1.764   1.196
  331   HD13  LEU  42          HD13      LEU  42   6.035  -1.800  -0.305
  332   HD21  LEU  42          HD21      LEU  42   4.104  -0.049   1.990
  333   HD22  LEU  42          HD22      LEU  42   4.224   1.519   1.212
  334   HD23  LEU  42          HD23      LEU  42   5.682   0.708   1.757
  335    H    VAL  43           HN       VAL  43   7.370   1.686  -3.091
  336    HA   VAL  43           HA       VAL  43   9.335   3.313  -1.994
  337    HB   VAL  43           HB       VAL  43   9.347   1.569  -3.979
  338   HG11  VAL  43          HG11      VAL  43   9.076   4.213  -5.374
  339   HG12  VAL  43          HG12      VAL  43   8.074   2.776  -5.561
  340   HG13  VAL  43          HG13      VAL  43   9.742   2.766  -6.131
  341   HG21  VAL  43          HG21      VAL  43  11.553   2.396  -4.615
  342   HG22  VAL  43          HG22      VAL  43  11.299   2.429  -2.870
  343   HG23  VAL  43          HG23      VAL  43  11.209   3.923  -3.800
  344    H    ARG  44           HN       ARG  44   6.426   4.127  -3.494
  345    HA   ARG  44           HA       ARG  44   7.235   6.739  -4.436
  346    HB2  ARG  44           HB2      ARG  44   5.547   5.522  -5.679
  347    HB3  ARG  44           HB1      ARG  44   4.553   5.415  -4.240
  348    HG2  ARG  44           HG2      ARG  44   4.386   7.893  -4.234
  349    HG3  ARG  44           HG1      ARG  44   5.230   7.900  -5.781
  350    HD2  ARG  44           HD2      ARG  44   3.459   6.580  -6.784
  351    HD3  ARG  44           HD1      ARG  44   2.630   6.474  -5.233
  352    HE   ARG  44           HE       ARG  44   3.010   9.179  -5.917
  353   HH11  ARG  44          HH11      ARG  44   1.139   6.392  -6.851
  354   HH12  ARG  44          HH12      ARG  44  -0.197   7.325  -7.435
  355   HH21  ARG  44          HH21      ARG  44   1.254  10.415  -6.684
  356   HH22  ARG  44          HH22      ARG  44  -0.131   9.611  -7.344
  357    H    VAL  45           HN       VAL  45   4.739   5.628  -2.177
  358    HA   VAL  45           HA       VAL  45   5.187   8.052  -0.575
  359    HB   VAL  45           HB       VAL  45   3.041   8.391  -1.341
  360   HG11  VAL  45          HG11      VAL  45   2.281   6.731  -2.614
  361   HG12  VAL  45          HG12      VAL  45   1.483   6.158  -1.141
  362   HG13  VAL  45          HG13      VAL  45   3.044   5.492  -1.617
  363   HG21  VAL  45          HG21      VAL  45   3.214   7.902   1.289
  364   HG22  VAL  45          HG22      VAL  45   2.020   6.674   0.844
  365   HG23  VAL  45          HG23      VAL  45   1.711   8.377   0.495
  366    H    CYS  46           HN       CYS  46   6.772   6.980   0.623
  367    HA   CYS  46           HA       CYS  46   6.056   6.023   3.083
  368    HB2  CYS  46           HB2      CYS  46   5.584   3.846   2.912
  369    HB3  CYS  46           HB1      CYS  46   5.717   3.946   1.169
  370    H    GLY  47           HN       GLY  47   8.431   5.319   0.519
  371    HA2  GLY  47           HA2      GLY  47  10.715   5.573   0.475
  372    HA3  GLY  47           HA1      GLY  47  10.538   6.671   1.836
  373    H    GLY  48           HN       GLY  48  11.856   3.782   0.839
  374    HA2  GLY  48           HA2      GLY  48  12.429   3.050   3.617
  375    HA3  GLY  48           HA1      GLY  48  11.730   1.821   2.575
  376    HA   PRO  49           HA       PRO  49  16.419   2.176   1.903
  377    HB2  PRO  49           HB2      PRO  49  17.200   0.547   4.115
  378    HB3  PRO  49           HB1      PRO  49  17.529   2.261   3.866
  379    HG2  PRO  49           HG2      PRO  49  15.893   1.233   5.848
  380    HG3  PRO  49           HG1      PRO  49  15.842   2.900   5.251
  381    HD2  PRO  49           HD2      PRO  49  14.083   0.582   4.564
  382    HD3  PRO  49           HD1      PRO  49  13.661   2.295   4.781
  383    H    LYS  50           HN       LYS  50  14.080  -0.058   1.858
  384    HA   LYS  50           HA       LYS  50  15.838  -2.337   1.285
  385    HB2  LYS  50           HB2      LYS  50  12.869  -2.140   1.776
  386    HB3  LYS  50           HB1      LYS  50  13.626  -3.601   1.162
  387    HG2  LYS  50           HG2      LYS  50  13.403  -3.923   3.475
  388    HG3  LYS  50           HG1      LYS  50  15.105  -3.541   3.214
  389    HD2  LYS  50           HD2      LYS  50  14.335  -2.329   5.138
  390    HD3  LYS  50           HD1      LYS  50  14.609  -1.181   3.827
  391    HE2  LYS  50           HE2      LYS  50  12.549  -0.621   4.929
  392    HE3  LYS  50           HE1      LYS  50  12.180  -1.250   3.324
  393    HZ1  LYS  50           HZ       LYS  50  12.072  -3.382   5.118
  394    H    TRP  51           HN       TRP  51  12.733  -1.338  -0.098
  395    HA   TRP  51           HA       TRP  51  13.229  -2.339  -2.660
  396    HB2  TRP  51           HB2      TRP  51  11.374  -0.477  -3.200
  397    HB3  TRP  51           HB1      TRP  51  10.988  -1.988  -2.386
  398    HD1  TRP  51           HD1      TRP  51  12.186   1.520  -1.189
  399    HE1  TRP  51           HE1      TRP  51  10.819   2.138   0.898
  400    HE3  TRP  51           HE3      TRP  51   9.264  -2.653  -0.862
  401    HZ2  TRP  51           HZ2      TRP  51   8.784   1.004   2.477
  402    HZ3  TRP  51           HZ3      TRP  51   7.622  -2.806   0.966
  403    HH2  TRP  51           HH2      TRP  51   7.376  -0.994   2.597