*HEADER    ANTIVIRAL PROTEIN                       10-MAR-20   6M56              
*TITLE     SOLUTION NMR STRUCTURE OF PEPTIDE P9R                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE P9R;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA-DEFENSIN 4,MBD-4,DEFENSIN,BETA 4;                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   4 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   5 ORGANISM_TAXID: 10090                                                
*KEYWDS    ANTIVIRAL PROTEIN                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.Y.YUEN,H.J.ZHAO,T.M.YUNG,K.H.SZE                                    
*REVDAT   1   09-SEP-20 6M56    0                                                
# Restraints file 1: noe_restraints.assignments
#
# List of assignments
#
# Created by Aria 2.0a, Fri Feb 28 09:43:31 2020
#
# Author:  
# Date:    Fri Feb 28 05:40:17 2020
# Project: ARIA_P9R_redo
# Run:     12
# Path:    /NMR/P9R_redo/run12
#
# 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: NOESY_0.5s_2019, ref_peak: 1, id: 715, d: 4.06, u: 4.92, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HD2    A -   ARG21  HG3    A    d: 5.59 +/- 1.36, weight: 0.4
      PHE22  HD1    A -   ARG21  HG3    A

      PHE22  HD2    A -   ARG21  HG2    A    d: 5.54 +/- 1.19, weight: 0.4
      PHE22  HD1    A -   ARG21  HG2    A

ref_spec: NOESY_0.5s_2019, ref_peak: 3, id: 716, d: 4.82, u: 5.71, u_viol: 0.24, %_viol: 8.6, viol: no, reliable: no, a_type: A
      PHE13  HE2    A -   ARG14  HG3    A    d: 7.29 +/- 1.83, weight: 0.2
      PHE13  HE1    A -   ARG14  HG3    A

      PHE13  HE2    A -   ARG14  HG2    A    d: 6.95 +/- 1.99, weight: 0.2
      PHE13  HE1    A -   ARG14  HG2    A

      PHE22  HE2    A -   ARG23  HG3    A    d: 6.81 +/- 1.24, weight: 0.3
      PHE22  HE1    A -   ARG23  HG3    A

      PHE22  HE2    A -   ARG23  HG2    A    d: 7.49 +/- 1.16, weight: 0.1
      PHE22  HE1    A -   ARG23  HG2    A

      PHE22   HZ    A -   ARG23  HG3    A    d: 8.40 +/- 1.65, weight: 0.1

ref_spec: NOESY_0.5s_2019, ref_peak: 7, id: 719, d: 3.55, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HD2    A -   VAL24 HG13    A    d: 5.08 +/- 0.98, weight: 0.3
      PHE22  HD2    A -   VAL24 HG12    A
      PHE22  HD2    A -   VAL24 HG11    A
      PHE22  HD1    A -   VAL24 HG13    A
      PHE22  HD1    A -   VAL24 HG12    A
      PHE22  HD1    A -   VAL24 HG11    A

      PHE22  HD2    A -   VAL24 HG22    A    d: 4.56 +/- 0.85, weight: 0.5
      PHE22  HD2    A -   VAL24 HG21    A
      PHE22  HD2    A -   VAL24 HG23    A
      PHE22  HD1    A -   VAL24 HG22    A
      PHE22  HD1    A -   VAL24 HG21    A
      PHE22  HD1    A -   VAL24 HG23    A

      ARG28   HE    A -   VAL24 HG13    A    d: 6.17 +/- 1.58, weight: 0.1
      ARG28   HE    A -   VAL24 HG12    A
      ARG28   HE    A -   VAL24 HG11    A

ref_spec: NOESY_0.5s_2019, ref_peak: 11, id: 722, d: 2.59, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HB3    A -    TRP6   HA    A    d: 2.65 +/- 0.23, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 12, id: 723, d: 2.79, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HB2    A -    TRP6   HA    A    d: 2.79 +/- 0.25, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 15, id: 725, d: 3.07, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR11    H    A -   PRO10  HB2    A    d: 3.81 +/- 0.22, weight: 0.4

      PHE13    H    A -   PRO10  HB2    A    d: 3.79 +/- 0.51, weight: 0.4

ref_spec: NOESY_0.5s_2019, ref_peak: 16, id: 726, d: 4.21, u: 4.62, u_viol: 0.20, %_viol: 2.9, viol: no, reliable: no, a_type: A
      ARG14  HG3    A -   GLN15    H    A    d: 4.68 +/- 0.62, weight: 0.5

      ARG14  HG2    A -   GLN15    H    A    d: 4.62 +/- 0.64, weight: 0.5

ref_spec: NOESY_0.5s_2019, ref_peak: 17, id: 727, d: 4.34, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23   HA    A -   PHE22   HA    A    d: 4.35 +/- 0.03, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 21, id: 729, d: 3.04, u: 3.23, u_viol: 0.78, %_viol: 34.3, viol: no, reliable: no, a_type: A
      ILE29    H    A -   ARG30    H    A    d: 2.98 +/- 0.85, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 22, id: 730, d: 2.68, u: 2.96, u_viol: 0.52, %_viol: 17.1, viol: no, reliable: no, a_type: A
      GLY20    H    A -   ARG21    H    A    d: 2.95 +/- 0.43, weight: 0.8

ref_spec: NOESY_0.5s_2019, ref_peak: 23, id: 731, d: 2.21, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25    H    A -   VAL24    H    A    d: 2.48 +/- 0.18, weight: 0.9

ref_spec: NOESY_0.5s_2019, ref_peak: 24, id: 732, d: 3.61, u: 4.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       CYS9    H    A -    GLY7    H    A    d: 4.43 +/- 0.88, weight: 0.5

      GLY17    H    A -   ARG14    H    A    d: 5.08 +/- 0.37, weight: 0.2

      CYS19    H    A -   ARG21    H    A    d: 5.25 +/- 1.05, weight: 0.2

ref_spec: NOESY_0.5s_2019, ref_peak: 28, id: 736, d: 2.45, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG28    H    A -   ILE29    H    A    d: 2.46 +/- 0.19, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 30, id: 738, d: 4.00, u: 3.85, u_viol: 0.40, %_viol: 48.6, viol: no, reliable: no, a_type: A
      GLY17    H    A -   GLN15    H    A    d: 3.89 +/- 0.30, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 31, id: 739, d: 2.41, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY17    H    A -   ILE16    H    A    d: 2.34 +/- 0.15, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 34, id: 742, d: 2.11, u: 4.76, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: A
      GLY20    H    A -   ARG21    H    A    d: 2.95 +/- 0.43, weight: 0.2

      ARG25    H    A -   VAL24    H    A    d: 2.48 +/- 0.18, weight: 0.7

ref_spec: NOESY_0.5s_2019, ref_peak: 36, id: 743, d: 2.31, u: 2.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6    H    A -    GLY7    H    A    d: 3.34 +/- 0.89, weight: 0.1

      GLN15    H    A -   ARG14    H    A    d: 2.51 +/- 0.10, weight: 0.8

ref_spec: NOESY_0.5s_2019, ref_peak: 42, id: 747, d: 2.20, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS26    H    A -   CYS27    H    A    d: 2.52 +/- 0.15, weight: 0.5

      ARG28    H    A -   CYS27    H    A    d: 2.48 +/- 0.13, weight: 0.5

ref_spec: NOESY_0.5s_2019, ref_peak: 43, id: 748, d: 2.07, u: 3.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25    H    A -   CYS26    H    A    d: 2.61 +/- 0.13, weight: 0.3

      CYS26    H    A -   CYS27    H    A    d: 2.52 +/- 0.15, weight: 0.3

      ARG28    H    A -   CYS27    H    A    d: 2.48 +/- 0.13, weight: 0.4

ref_spec: NOESY_0.5s_2019, ref_peak: 44, id: 749, d: 2.41, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ILE4    H    A -    ALA3    H    A    d: 2.44 +/- 0.13, weight: 0.9

ref_spec: NOESY_0.5s_2019, ref_peak: 50, id: 755, d: 1.85, u: 2.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA12    H    A -   THR11    H    A    d: 2.12 +/- 0.09, weight: 0.5

      PHE22    H    A -   ARG21    H    A    d: 2.22 +/- 0.28, weight: 0.3

ref_spec: NOESY_0.5s_2019, ref_peak: 51, id: 756, d: 1.85, u: 2.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA12    H    A -   THR11    H    A    d: 2.12 +/- 0.09, weight: 0.5

      ALA12    H    A -   PHE13    H    A    d: 2.45 +/- 0.23, weight: 0.2

      PHE22    H    A -   ARG21    H    A    d: 2.22 +/- 0.28, weight: 0.3

ref_spec: NOESY_0.5s_2019, ref_peak: 58, id: 759, d: 3.88, u: 5.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13    H    A -   PHE13  HE2    A    d: 5.69 +/- 0.85, weight: 0.2
      PHE13    H    A -   PHE13  HE1    A

      PHE13    H    A -   PHE13   HZ    A    d: 7.27 +/- 0.97, weight: 0.1

      ARG14    H    A -   PHE13  HE2    A    d: 5.94 +/- 0.63, weight: 0.2
      ARG14    H    A -   PHE13  HE1    A

      ARG21    H    A -   PHE22  HE2    A    d: 6.28 +/- 2.00, weight: 0.1
      ARG21    H    A -   PHE22  HE1    A

      VAL24    H    A -   PHE22  HE2    A    d: 5.85 +/- 1.14, weight: 0.2
      VAL24    H    A -   PHE22  HE1    A

ref_spec: NOESY_0.5s_2019, ref_peak: 59, id: 760, d: 3.74, u: 4.21, u_viol: 0.28, %_viol: 5.7, viol: no, reliable: no, a_type: A
      VAL24    H    A -   PHE22  HE2    A    d: 5.85 +/- 1.14, weight: 0.1
      VAL24    H    A -   PHE22  HE1    A

      ARG23    H    A -   PHE22   HZ    A    d: 6.45 +/- 1.41, weight: 0.1

      PHE22    H    A -   PHE22  HE2    A    d: 5.16 +/- 1.15, weight: 0.3
      PHE22    H    A -   PHE22  HE1    A

      ARG23    H    A -   PHE22  HE2    A    d: 5.06 +/- 1.01, weight: 0.3
      ARG23    H    A -   PHE22  HE1    A

ref_spec: NOESY_0.5s_2019, ref_peak: 60, id: 761, d: 4.00, u: 4.91, u_viol: 0.13, %_viol: 8.6, viol: no, reliable: no, a_type: A
      PHE13    H    A -   PHE13  HE2    A    d: 5.69 +/- 0.85, weight: 0.3
      PHE13    H    A -   PHE13  HE1    A

      ARG14    H    A -   PHE13  HE2    A    d: 5.94 +/- 0.63, weight: 0.2
      ARG14    H    A -   PHE13  HE1    A

      PHE13    H    A -   PHE13   HZ    A    d: 7.27 +/- 0.97, weight: 0.1

      ARG21    H    A -   PHE22  HE2    A    d: 6.28 +/- 2.00, weight: 0.2
      ARG21    H    A -   PHE22  HE1    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 1, id: 651, d: 2.53, u: 2.65, u_viol: 0.20, %_viol: 8.6, viol: no, reliable: no, a_type: A
      PHE13   HA    A -   PHE13  HB2    A    d: 2.48 +/- 0.03, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 3, id: 653, d: 2.98, u: 2.94, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HB3    A -   PHE13   HA    A    d: 2.97 +/- 0.17, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 4, id: 654, d: 2.31, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS19  HB2    A -   CYS19   HA    A    d: 2.64 +/- 0.27, weight: 0.6

      CYS19  HB3    A -   CYS19   HA    A    d: 2.75 +/- 0.29, weight: 0.4

ref_spec: NOESY_0.5s_2019_D, ref_peak: 40, id: 675, d: 2.20, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HG2    A -   PRO10  HB2    A    d: 2.58 +/- 0.30, weight: 0.5

      PRO10  HG3    A -   PRO10  HB2    A    d: 2.58 +/- 0.28, weight: 0.5

ref_spec: NOESY_0.5s_2019_D, ref_peak: 44, id: 679, d: 1.77, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8  HB2    A -    PRO8  HB3    A    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 46, id: 680, d: 1.71, u: 2.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HB3    A -   PRO10  HB2    A    d: 1.77 +/- 0.00, weight: 0.8

ref_spec: NOESY_0.5s_2019_D, ref_peak: 77, id: 694, d: 2.57, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HE3    A -    TRP6  HB3    A    d: 2.59 +/- 0.10, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 79, id: 695, d: 4.08, u: 4.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HE3    A -    TRP6  HB2    A    d: 4.09 +/- 0.10, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 81, id: 697, d: 3.91, u: 4.20, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HE2    A -   PHE13  HB3    A    d: 4.37 +/- 0.01, weight: 0.8
      PHE13  HE1    A -   PHE13  HB3    A

      PHE13   HZ    A -   PHE13  HB3    A    d: 5.78 +/- 0.00, weight: 0.1

ref_spec: NOESY_0.5s_2019_D, ref_peak: 82, id: 698, d: 3.80, u: 3.74, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HE2    A -   PHE13  HB2    A    d: 4.43 +/- 0.02, weight: 0.4
      PHE13  HE1    A -   PHE13  HB2    A

      PHE22  HE2    A -   PHE22  HB3    A    d: 4.38 +/- 0.01, weight: 0.4
      PHE22  HE1    A -   PHE22  HB3    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 83, id: 699, d: 2.10, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HD1    A -    TRP6  HB2    A    d: 2.68 +/- 0.10, weight: 0.2

      ARG28   HE    A -   ARG28  HD3    A    d: 2.76 +/- 0.12, weight: 0.2

      ARG30   HE    A -   ARG30  HD3    A    d: 2.80 +/- 0.11, weight: 0.2

      ARG30   HE    A -   ARG30  HD2    A    d: 2.77 +/- 0.12, weight: 0.2

ref_spec: NOESY_0.5s_2019_D, ref_peak: 84, id: 700, d: 1.94, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HB2    A -   PHE22  HD2    A    d: 2.47 +/- 0.07, weight: 0.3
      PHE22  HB2    A -   PHE22  HD1    A

      ARG25   HE    A -   ARG25  HD3    A    d: 2.78 +/- 0.10, weight: 0.1

      ARG25   HE    A -   ARG25  HD2    A    d: 2.79 +/- 0.10, weight: 0.1

      ARG28   HE    A -   ARG28  HD3    A    d: 2.76 +/- 0.12, weight: 0.1

      ARG30   HE    A -   ARG30  HD3    A    d: 2.80 +/- 0.11, weight: 0.1

      ARG30   HE    A -   ARG30  HD2    A    d: 2.77 +/- 0.12, weight: 0.1

ref_spec: NOESY_0.5s_2019_D, ref_peak: 85, id: 701, d: 2.29, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HD2    A -   PHE13  HB3    A    d: 2.30 +/- 0.03, weight: 1.0
      PHE13  HD1    A -   PHE13  HB3    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 86, id: 702, d: 2.47, u: 2.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HD2    A -   PHE13  HB2    A    d: 2.50 +/- 0.08, weight: 1.0
      PHE13  HD1    A -   PHE13  HB2    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 87, id: 703, d: 2.32, u: 2.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HD2    A -   PHE22  HB3    A    d: 2.31 +/- 0.04, weight: 1.0
      PHE22  HD1    A -   PHE22  HB3    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 89, id: 705, d: 4.12, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   PHE22  HB3    A    d: 4.38 +/- 0.01, weight: 0.7
      PHE22  HE1    A -   PHE22  HB3    A

      PHE22   HZ    A -   PHE22  HB3    A    d: 5.78 +/- 0.00, weight: 0.1

ref_spec: NOESY_0.5s_2019_D, ref_peak: 91, id: 707, d: 3.97, u: 5.06, u_viol: 0.77, %_viol: 11.4, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   VAL24 HG13    A    d: 5.19 +/- 1.50, weight: 0.4
      PHE22  HE2    A -   VAL24 HG12    A
      PHE22  HE2    A -   VAL24 HG11    A
      PHE22  HE1    A -   VAL24 HG13    A
      PHE22  HE1    A -   VAL24 HG12    A
      PHE22  HE1    A -   VAL24 HG11    A

      PHE22  HE2    A -   VAL24 HG22    A    d: 4.88 +/- 1.14, weight: 0.5
      PHE22  HE2    A -   VAL24 HG21    A
      PHE22  HE2    A -   VAL24 HG23    A
      PHE22  HE1    A -   VAL24 HG22    A
      PHE22  HE1    A -   VAL24 HG21    A
      PHE22  HE1    A -   VAL24 HG23    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 93, id: 709, d: 4.65, u: 5.11, u_viol: 0.11, %_viol: 17.1, viol: no, reliable: no, a_type: A
      PHE13  HD2    A -   ALA12  HB2    A    d: 4.91 +/- 0.52, weight: 1.0
      PHE13  HD2    A -   ALA12  HB3    A
      PHE13  HD2    A -   ALA12  HB1    A
      PHE13  HD1    A -   ALA12  HB2    A
      PHE13  HD1    A -   ALA12  HB3    A
      PHE13  HD1    A -   ALA12  HB1    A

ref_spec: NOESY_0.5s_2019_D, ref_peak: 94, id: 710, d: 2.19, u: 4.54, u_viol: 0.00, %_viol: 8.6, viol: no, reliable: no, a_type: A
      ARG25   HE    A -   ARG25  HG2    A    d: 2.83 +/- 0.42, weight: 0.4

      ARG25   HE    A -   ARG25  HG3    A    d: 2.91 +/- 0.46, weight: 0.3

      ARG28   HE    A -   ARG28  HG3    A    d: 2.93 +/- 0.50, weight: 0.3

ref_spec: NOESY_0.5s_2019_D, ref_peak: 96, id: 712, d: 4.91, u: 5.26, u_viol: 0.71, %_viol: 45.7, viol: no, reliable: no, a_type: A
       TRP6  HE3    A -    GLY7  HA2    A    d: 5.72 +/- 1.19, weight: 0.5

       TRP6  HE3    A -    GLY7  HA3    A    d: 5.60 +/- 1.27, weight: 0.5

ref_spec: NOESY_0.5s_2019_D, ref_peak: 97, id: 713, d: 3.58, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HD2    A -   ARG23   HA    A    d: 4.62 +/- 0.57, weight: 0.4
      PHE22  HD1    A -   ARG23   HA    A

      ARG25   HE    A -   ARG25   HA    A    d: 4.76 +/- 0.81, weight: 0.4

ref_spec: NOESY_0.5s_2019_D, ref_peak: 98, id: 714, d: 2.88, u: 3.95, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HE3    A -    TRP6   HA    A    d: 3.67 +/- 0.73, weight: 0.4

      ASN18 HD22    A -   ASN18   HA    A    d: 3.46 +/- 0.88, weight: 0.6

ref_spec: NOESY_0.3s_2019_D, ref_peak: 1, id: 510, d: 5.09, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   PHE22   HA    A    d: 4.98 +/- 0.53, weight: 0.8
      PHE22  HE1    A -   PHE22   HA    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 2, id: 511, d: 4.41, u: 5.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HE2    A -   PHE13   HA    A    d: 4.62 +/- 0.32, weight: 0.8
      PHE13  HE1    A -   PHE13   HA    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 3, id: 512, d: 2.70, u: 3.61, u_viol: 0.12, %_viol: 2.9, viol: no, reliable: no, a_type: A
      PHE13  HD2    A -   PHE13   HA    A    d: 2.70 +/- 0.36, weight: 1.0
      PHE13  HD1    A -   PHE13   HA    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 4, id: 513, d: 3.37, u: 3.43, u_viol: 0.27, %_viol: 68.6, viol: yes, reliable: no, a_type: A
      PHE22  HD2    A -   PHE22   HA    A    d: 3.06 +/- 0.55, weight: 1.0
      PHE22  HD1    A -   PHE22   HA    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 5, id: 514, d: 3.16, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ILE4   HA    A -    ILE4 HG13    A    d: 3.38 +/- 0.37, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 6, id: 515, d: 4.33, u: 5.53, u_viol: 0.36, %_viol: 14.3, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   ARG21  HB3    A    d: 6.24 +/- 2.10, weight: 0.4
      PHE22  HE1    A -   ARG21  HB3    A

      PHE22  HE2    A -   ARG21  HB2    A    d: 6.70 +/- 1.89, weight: 0.3
      PHE22  HE1    A -   ARG21  HB2    A

      PHE22   HZ    A -   ARG21  HB3    A    d: 8.21 +/- 2.28, weight: 0.1

      PHE22   HZ    A -   ARG21  HB2    A    d: 8.67 +/- 2.10, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 7, id: 516, d: 2.45, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25  HG2    A -   ARG25   HA    A    d: 3.45 +/- 0.46, weight: 0.2

      ARG28   HA    A -   ARG28  HG3    A    d: 3.24 +/- 0.49, weight: 0.3

      ARG28   HA    A -   ARG28  HG2    A    d: 3.10 +/- 0.43, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 8, id: 517, d: 2.30, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25   HA    A -   ARG25  HB3    A    d: 2.64 +/- 0.26, weight: 0.5

      ARG28   HA    A -   ARG28  HB3    A    d: 2.70 +/- 0.26, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 9, id: 518, d: 2.33, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG28   HA    A -   ARG28  HB2    A    d: 2.80 +/- 0.27, weight: 0.4

      ARG25   HA    A -   ARG25  HB2    A    d: 2.65 +/- 0.26, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 10, id: 519, d: 2.72, u: 3.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8  HB2    A -    PRO8   HA    A    d: 2.70 +/- 0.33, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 11, id: 520, d: 3.15, u: 4.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8  HG3    A -    PRO8   HA    A    d: 3.93 +/- 0.06, weight: 0.3

       PRO8  HG2    A -    PRO8   HA    A    d: 3.42 +/- 0.48, weight: 0.7

ref_spec: NOESY_0.3s_2019_D, ref_peak: 12, id: 521, d: 2.76, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HB3    A -   PRO10   HA    A    d: 2.66 +/- 0.30, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 13, id: 522, d: 3.10, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HG2    A -   PRO10   HA    A    d: 3.58 +/- 0.45, weight: 0.5

      PRO10  HG3    A -   PRO10   HA    A    d: 3.61 +/- 0.48, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 18, id: 524, d: 2.56, u: 2.88, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN15   HA    A -   GLN15  HB3    A    d: 2.63 +/- 0.24, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 19, id: 525, d: 2.83, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL24   HA    A -   VAL24   HB    A    d: 2.73 +/- 0.26, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 20, id: 526, d: 2.44, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8   HA    A -    PRO8  HB3    A    d: 2.45 +/- 0.20, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 21, id: 527, d: 2.41, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10   HA    A -   PRO10  HB2    A    d: 2.54 +/- 0.32, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 23, id: 529, d: 2.61, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN15   HA    A -   GLN15  HG2    A    d: 3.36 +/- 0.39, weight: 0.2

      GLN15   HA    A -   GLN15  HG3    A    d: 2.75 +/- 0.27, weight: 0.8

ref_spec: NOESY_0.3s_2019_D, ref_peak: 25, id: 530, d: 2.17, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL24   HA    A -   VAL24 HG13    A    d: 2.58 +/- 0.41, weight: 0.5
      VAL24   HA    A -   VAL24 HG12    A
      VAL24   HA    A -   VAL24 HG11    A

      VAL24   HA    A -   VAL24 HG22    A    d: 2.61 +/- 0.38, weight: 0.5
      VAL24   HA    A -   VAL24 HG21    A
      VAL24   HA    A -   VAL24 HG23    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 26, id: 531, d: 1.95, u: 2.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR11   HA    A -   THR11 HG22    A    d: 2.51 +/- 0.32, weight: 0.2
      THR11   HA    A -   THR11 HG21    A
      THR11   HA    A -   THR11 HG23    A

      THR11   HB    A -   THR11 HG22    A    d: 2.14 +/- 0.00, weight: 0.6
      THR11   HB    A -   THR11 HG21    A
      THR11   HB    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 29, id: 533, d: 2.66, u: 3.39, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG21   HA    A -   ARG21  HG3    A    d: 3.07 +/- 0.47, weight: 0.5

      ARG21   HA    A -   ARG21  HG2    A    d: 3.03 +/- 0.45, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 30, id: 534, d: 2.71, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE16   HA    A -   ILE16 HG12    A    d: 3.04 +/- 0.12, weight: 0.5

      ILE29   HA    A -   ILE29 HG12    A    d: 3.15 +/- 0.51, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 36, id: 535, d: 3.81, u: 4.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HB3    A -   PRO10  HD3    A    d: 3.91 +/- 0.24, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 37, id: 536, d: 3.33, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HB3    A -   PRO10  HD2    A    d: 3.53 +/- 0.49, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 39, id: 538, d: 2.24, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30   HA    A -   ARG30  HB2    A    d: 2.67 +/- 0.25, weight: 0.4

      ILE16   HA    A -   ILE16   HB    A    d: 3.01 +/- 0.08, weight: 0.2

      ILE29   HB    A -   ILE29   HA    A    d: 2.66 +/- 0.27, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 41, id: 540, d: 2.30, u: 2.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       CYS5  HB2    A -    CYS5   HA    A    d: 2.65 +/- 0.27, weight: 0.5

       CYS5  HB3    A -    CYS5   HA    A    d: 2.67 +/- 0.28, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 44, id: 541, d: 2.65, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HB3    A -   PHE22   HA    A    d: 2.81 +/- 0.27, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 45, id: 542, d: 2.43, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HB2    A -   PHE22   HA    A    d: 2.45 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 46, id: 543, d: 2.28, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD3    A -    CYS9   HA    A    d: 2.21 +/- 0.13, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 47, id: 544, d: 2.41, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD2    A -    CYS9   HA    A    d: 2.46 +/- 0.14, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 48, id: 545, d: 2.17, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       CYS9  HB2    A -    CYS9   HA    A    d: 2.62 +/- 0.26, weight: 0.4

      ASN18  HB2    A -   ASN18   HA    A    d: 2.68 +/- 0.27, weight: 0.3

       CYS9  HB3    A -    CYS9   HA    A    d: 2.71 +/- 0.29, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 49, id: 546, d: 2.61, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN18  HB2    A -   ASN18   HA    A    d: 2.68 +/- 0.27, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 50, id: 547, d: 2.71, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN18  HB3    A -   ASN18   HA    A    d: 2.76 +/- 0.28, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 55, id: 548, d: 2.44, u: 4.68, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: A
      ARG23   HA    A -   ARG23  HD3    A    d: 3.70 +/- 1.01, weight: 0.4

      ARG23   HA    A -   ARG23  HD2    A    d: 4.22 +/- 0.78, weight: 0.2

      ARG25   HA    A -   ARG25  HD3    A    d: 4.34 +/- 1.02, weight: 0.1

      ARG25   HA    A -   ARG25  HD2    A    d: 4.17 +/- 0.97, weight: 0.2

ref_spec: NOESY_0.3s_2019_D, ref_peak: 56, id: 549, d: 2.99, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HB3    A -   THR11   HA    A    d: 5.25 +/- 0.71, weight: 0.1

      PHE13  HB3    A -   ARG14   HA    A    d: 4.37 +/- 0.12, weight: 0.2

      ARG14  HD2    A -   ARG14   HA    A    d: 4.38 +/- 0.82, weight: 0.2

      ARG14  HD3    A -   ARG14   HA    A    d: 4.19 +/- 0.93, weight: 0.3

      PHE22  HB2    A -   ARG21   HA    A    d: 5.55 +/- 0.48, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 57, id: 550, d: 3.68, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG21  HD3    A -   ARG21   HA    A    d: 4.39 +/- 0.80, weight: 0.4

      ARG21  HD2    A -   ARG21   HA    A    d: 4.52 +/- 0.49, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 62, id: 551, d: 3.75, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD2    A -   PRO10  HB2    A    d: 3.42 +/- 0.46, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 63, id: 552, d: 2.17, u: 4.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HD2    A -   ARG30  HB2    A    d: 3.01 +/- 0.47, weight: 0.2

      ARG25  HD3    A -   ARG25  HB2    A    d: 3.21 +/- 0.59, weight: 0.1

      ARG25  HD2    A -   ARG25  HB2    A    d: 3.12 +/- 0.48, weight: 0.2

      ARG28  HD2    A -   ARG28  HB2    A    d: 3.01 +/- 0.55, weight: 0.2

      ARG30  HD3    A -   ARG30  HB2    A    d: 3.11 +/- 0.45, weight: 0.2

ref_spec: NOESY_0.3s_2019_D, ref_peak: 64, id: 553, d: 3.83, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HG2    A -    CYS9   HA    A    d: 4.42 +/- 0.11, weight: 0.4

      PRO10  HG3    A -    CYS9   HA    A    d: 4.46 +/- 0.11, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 66, id: 555, d: 2.59, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ILE4 HG12    A -    ILE4 HG23    A    d: 2.58 +/- 0.31, weight: 1.0
       ILE4 HG12    A -    ILE4 HG22    A
       ILE4 HG12    A -    ILE4 HG21    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 69, id: 556, d: 3.79, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL24   HA    A -   ARG23   HA    A    d: 4.36 +/- 0.03, weight: 0.4

      VAL24   HA    A -   ARG25   HA    A    d: 4.78 +/- 0.06, weight: 0.2

       ILE4   HA    A -    ALA3   HA    A    d: 4.59 +/- 0.09, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 70, id: 557, d: 4.14, u: 5.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA12   HA    A -   PHE13   HA    A    d: 4.75 +/- 0.05, weight: 0.5

      ARG14   HA    A -   PHE13   HA    A    d: 4.71 +/- 0.06, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 78, id: 559, d: 3.92, u: 5.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY17  HA3    A -   ASN18   HA    A    d: 4.46 +/- 0.11, weight: 0.5

      GLY17  HA2    A -   ASN18   HA    A    d: 4.57 +/- 0.26, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 83, id: 562, d: 3.93, u: 5.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY20  HA2    A -   CYS19   HA    A    d: 4.60 +/- 0.30, weight: 0.4

      GLY20  HA3    A -   CYS19   HA    A    d: 4.51 +/- 0.19, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 85, id: 564, d: 3.93, u: 6.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD3    A -    PRO8   HA    A    d: 3.93 +/- 0.15, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 89, id: 565, d: 3.40, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14   HA    A -   GLY17  HA2    A    d: 4.61 +/- 0.95, weight: 0.2

      ILE16   HA    A -   GLY17  HA3    A    d: 4.88 +/- 0.30, weight: 0.1

      ILE16   HA    A -   GLY17  HA2    A    d: 5.00 +/- 0.32, weight: 0.1

      ARG21   HA    A -   GLY20  HA2    A    d: 4.48 +/- 0.07, weight: 0.2

      ARG21   HA    A -   GLY20  HA3    A    d: 4.61 +/- 0.09, weight: 0.2

ref_spec: NOESY_0.3s_2019_D, ref_peak: 90, id: 566, d: 3.64, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE16   HA    A -   GLY17  HA3    A    d: 4.88 +/- 0.30, weight: 0.2

      ARG21   HA    A -   GLY20  HA2    A    d: 4.48 +/- 0.07, weight: 0.3

      ARG21   HA    A -   GLY20  HA3    A    d: 4.61 +/- 0.09, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 102, id: 569, d: 3.76, u: 4.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8  HD2    A -    PRO8   HA    A    d: 3.77 +/- 0.13, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 103, id: 570, d: 3.74, u: 4.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD3    A -   PRO10   HA    A    d: 3.78 +/- 0.18, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 104, id: 571, d: 3.63, u: 6.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN1   HA    A -    GLY2  HA3    A    d: 4.68 +/- 0.26, weight: 0.2

       ASN1   HA    A -    GLY2  HA2    A    d: 4.71 +/- 0.28, weight: 0.2

       PRO8   HA    A -    GLY7  HA2    A    d: 4.65 +/- 0.18, weight: 0.2

       PRO8   HA    A -    GLY7  HA3    A    d: 4.59 +/- 0.19, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 106, id: 573, d: 3.93, u: 5.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD2    A -   PRO10   HA    A    d: 3.89 +/- 0.10, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 107, id: 574, d: 4.81, u: 6.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23   HA    A -   GLY20  HA2    A    d: 6.36 +/- 0.83, weight: 0.2

      GLN15   HA    A -   GLY17  HA3    A    d: 6.27 +/- 0.62, weight: 0.3

      GLN15   HA    A -   GLY17  HA2    A    d: 6.13 +/- 0.41, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 109, id: 576, d: 3.94, u: 4.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG21   HA    A -   GLY20  HA2    A    d: 4.48 +/- 0.07, weight: 0.5

      ARG21   HA    A -   GLY20  HA3    A    d: 4.61 +/- 0.09, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 113, id: 578, d: 4.56, u: 4.53, u_viol: 0.08, %_viol: 20.0, viol: no, reliable: no, a_type: A
      CYS27   HA    A -   ARG28   HA    A    d: 4.65 +/- 0.08, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 116, id: 581, d: 4.24, u: 5.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR11   HA    A -   PRO10   HA    A    d: 4.40 +/- 0.01, weight: 0.8

ref_spec: NOESY_0.3s_2019_D, ref_peak: 133, id: 582, d: 3.65, u: 4.59, u_viol: 0.14, %_viol: 2.9, viol: no, reliable: no, a_type: A
      ARG25  HG2    A -   VAL24 HG22    A    d: 6.06 +/- 0.86, weight: 0.1
      ARG25  HG2    A -   VAL24 HG21    A
      ARG25  HG2    A -   VAL24 HG23    A

      ARG25  HG3    A -   VAL24 HG13    A    d: 5.22 +/- 1.01, weight: 0.2
      ARG25  HG3    A -   VAL24 HG12    A
      ARG25  HG3    A -   VAL24 HG11    A

      ARG25  HG3    A -   VAL24 HG22    A    d: 5.50 +/- 1.04, weight: 0.2
      ARG25  HG3    A -   VAL24 HG21    A
      ARG25  HG3    A -   VAL24 HG23    A

      ARG28  HG3    A -   VAL24 HG13    A    d: 5.49 +/- 1.37, weight: 0.2
      ARG28  HG3    A -   VAL24 HG12    A
      ARG28  HG3    A -   VAL24 HG11    A

      ARG28  HG2    A -   VAL24 HG13    A    d: 5.57 +/- 1.45, weight: 0.1
      ARG28  HG2    A -   VAL24 HG12    A
      ARG28  HG2    A -   VAL24 HG11    A

      ARG25  HG2    A -   VAL24 HG13    A    d: 5.68 +/- 1.15, weight: 0.1
      ARG25  HG2    A -   VAL24 HG12    A
      ARG25  HG2    A -   VAL24 HG11    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 134, id: 583, d: 3.73, u: 5.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23  HB3    A -   VAL24 HG13    A    d: 5.59 +/- 0.64, weight: 0.1
      ARG23  HB3    A -   VAL24 HG12    A
      ARG23  HB3    A -   VAL24 HG11    A

      ARG23  HB3    A -   VAL24 HG22    A    d: 5.18 +/- 0.71, weight: 0.2
      ARG23  HB3    A -   VAL24 HG21    A
      ARG23  HB3    A -   VAL24 HG23    A

      ARG25  HG3    A -   VAL24 HG13    A    d: 5.22 +/- 1.01, weight: 0.2
      ARG25  HG3    A -   VAL24 HG12    A
      ARG25  HG3    A -   VAL24 HG11    A

      ARG25  HG3    A -   VAL24 HG22    A    d: 5.50 +/- 1.04, weight: 0.2
      ARG25  HG3    A -   VAL24 HG21    A
      ARG25  HG3    A -   VAL24 HG23    A

      ARG28  HG3    A -   VAL24 HG13    A    d: 5.49 +/- 1.37, weight: 0.2
      ARG28  HG3    A -   VAL24 HG12    A
      ARG28  HG3    A -   VAL24 HG11    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 135, id: 584, d: 4.04, u: 4.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25  HG3    A -   VAL24 HG22    A    d: 5.50 +/- 1.04, weight: 0.2
      ARG25  HG3    A -   VAL24 HG21    A
      ARG25  HG3    A -   VAL24 HG23    A

      ARG23  HB3    A -   VAL24 HG13    A    d: 5.59 +/- 0.64, weight: 0.2
      ARG23  HB3    A -   VAL24 HG12    A
      ARG23  HB3    A -   VAL24 HG11    A

      ARG23  HB3    A -   VAL24 HG22    A    d: 5.18 +/- 0.71, weight: 0.3
      ARG23  HB3    A -   VAL24 HG21    A
      ARG23  HB3    A -   VAL24 HG23    A

      ARG25  HG3    A -   VAL24 HG13    A    d: 5.22 +/- 1.01, weight: 0.3
      ARG25  HG3    A -   VAL24 HG12    A
      ARG25  HG3    A -   VAL24 HG11    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 136, id: 585, d: 3.58, u: 5.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23  HB3    A -   VAL24 HG13    A    d: 5.59 +/- 0.64, weight: 0.1
      ARG23  HB3    A -   VAL24 HG12    A
      ARG23  HB3    A -   VAL24 HG11    A

      ARG23  HB3    A -   VAL24 HG22    A    d: 5.18 +/- 0.71, weight: 0.2
      ARG23  HB3    A -   VAL24 HG21    A
      ARG23  HB3    A -   VAL24 HG23    A

      ARG23  HB2    A -   VAL24 HG22    A    d: 5.64 +/- 0.46, weight: 0.1
      ARG23  HB2    A -   VAL24 HG21    A
      ARG23  HB2    A -   VAL24 HG23    A

      ARG25  HB3    A -   VAL24 HG13    A    d: 5.40 +/- 0.84, weight: 0.1
      ARG25  HB3    A -   VAL24 HG12    A
      ARG25  HB3    A -   VAL24 HG11    A

      ARG28  HB3    A -   VAL24 HG13    A    d: 4.68 +/- 1.09, weight: 0.3
      ARG28  HB3    A -   VAL24 HG12    A
      ARG28  HB3    A -   VAL24 HG11    A

      ARG28  HB3    A -   VAL24 HG22    A    d: 5.58 +/- 1.64, weight: 0.1
      ARG28  HB3    A -   VAL24 HG21    A
      ARG28  HB3    A -   VAL24 HG23    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 138, id: 586, d: 2.70, u: 4.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ILE4   HB    A -    ILE4 HD11    A    d: 2.43 +/- 0.15, weight: 1.0
       ILE4   HB    A -    ILE4 HD13    A
       ILE4   HB    A -    ILE4 HD12    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 145, id: 593, d: 4.08, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS27   HA    A -   ARG28   HA    A    d: 4.65 +/- 0.08, weight: 0.5

      CYS26   HA    A -   ARG25   HA    A    d: 4.74 +/- 0.07, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 160, id: 597, d: 1.76, u: 1.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HB2    A -    TRP6  HB3    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 172, id: 605, d: 1.76, u: 1.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN18  HB3    A -   ASN18  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 182, id: 611, d: 2.18, u: 2.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO8  HG3    A -    PRO8  HB3    A    d: 2.56 +/- 0.16, weight: 0.4

       PRO8  HG2    A -    PRO8  HB3    A    d: 2.42 +/- 0.16, weight: 0.6

ref_spec: NOESY_0.3s_2019_D, ref_peak: 189, id: 616, d: 1.76, u: 1.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN15  HB3    A -   GLN15  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 209, id: 622, d: 2.04, u: 2.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14  HG3    A -   ARG14  HB3    A    d: 2.43 +/- 0.05, weight: 0.4

      ARG23  HG3    A -   ARG23  HB3    A    d: 2.87 +/- 0.23, weight: 0.1

      ARG23  HG2    A -   ARG23  HB3    A    d: 2.42 +/- 0.06, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 210, id: 623, d: 1.91, u: 2.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14  HB2    A -   ARG14  HG3    A    d: 2.86 +/- 0.27, weight: 0.1

      ARG14  HB2    A -   ARG14  HG2    A    d: 2.51 +/- 0.16, weight: 0.2

      ARG23  HG2    A -   ARG23  HB3    A    d: 2.42 +/- 0.06, weight: 0.3

      ARG23  HG3    A -   ARG23  HB2    A    d: 2.61 +/- 0.26, weight: 0.2

      ARG23  HG2    A -   ARG23  HB2    A    d: 2.75 +/- 0.28, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 211, id: 624, d: 1.66, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23  HG2    A -   ARG23  HB3    A    d: 2.42 +/- 0.06, weight: 0.1

      ARG25  HG2    A -   ARG25  HG3    A    d: 1.77 +/- 0.00, weight: 0.7

ref_spec: NOESY_0.3s_2019_D, ref_peak: 214, id: 626, d: 1.77, u: 1.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO10  HD3    A -   PRO10  HD2    A    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 224, id: 632, d: 4.00, u: 4.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   PHE22  HB2    A    d: 4.42 +/- 0.02, weight: 0.7
      PHE22  HE1    A -   PHE22  HB2    A

      PHE22   HZ    A -   PHE22  HB2    A    d: 5.78 +/- 0.00, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 230, id: 638, d: 2.13, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE13  HD2    A -   PHE13  HB2    A    d: 2.50 +/- 0.08, weight: 0.4
      PHE13  HD1    A -   PHE13  HB2    A

      PHE22  HD2    A -   PHE22  HB3    A    d: 2.31 +/- 0.04, weight: 0.6
      PHE22  HD1    A -   PHE22  HB3    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 232, id: 640, d: 3.76, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HD1    A -    TRP6  HB3    A    d: 3.80 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 238, id: 646, d: 3.50, u: 6.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PHE22  HE2    A -   VAL24 HG13    A    d: 5.19 +/- 1.50, weight: 0.3
      PHE22  HE2    A -   VAL24 HG12    A
      PHE22  HE2    A -   VAL24 HG11    A
      PHE22  HE1    A -   VAL24 HG13    A
      PHE22  HE1    A -   VAL24 HG12    A
      PHE22  HE1    A -   VAL24 HG11    A

      PHE22  HE2    A -   VAL24 HG22    A    d: 4.88 +/- 1.14, weight: 0.4
      PHE22  HE2    A -   VAL24 HG21    A
      PHE22  HE2    A -   VAL24 HG23    A
      PHE22  HE1    A -   VAL24 HG22    A
      PHE22  HE1    A -   VAL24 HG21    A
      PHE22  HE1    A -   VAL24 HG23    A

      ARG28   HE    A -   VAL24 HG13    A    d: 6.17 +/- 1.58, weight: 0.1
      ARG28   HE    A -   VAL24 HG12    A
      ARG28   HE    A -   VAL24 HG11    A

      ARG28   HE    A -   ILE29 HG21    A    d: 6.08 +/- 1.54, weight: 0.1
      ARG28   HE    A -   ILE29 HG22    A
      ARG28   HE    A -   ILE29 HG23    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 242, id: 650, d: 3.69, u: 4.98, u_viol: 0.22, %_viol: 2.9, viol: no, reliable: no, a_type: A
       TRP6  HE3    A -    TRP6   HA    A    d: 3.67 +/- 0.73, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 787, id: 0, d: 2.64, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY7    H    A -    TRP6   HA    A    d: 2.58 +/- 0.44, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 788, id: 1, d: 2.53, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ALA3    H    A -    GLY2  HA2    A    d: 2.99 +/- 0.47, weight: 0.5

       ALA3    H    A -    GLY2  HA3    A    d: 2.99 +/- 0.47, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 790, id: 3, d: 2.19, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       CYS5    H    A -    ILE4   HA    A    d: 2.20 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 795, id: 8, d: 4.10, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO10  HD3    A -    CYS9  HB3    A    d: 4.63 +/- 0.31, weight: 0.5

      PRO10  HD3    A -    CYS9  HB2    A    d: 4.54 +/- 0.27, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 797, id: 10, d: 2.17, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   PRO10   HA    A    d: 2.16 +/- 0.02, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 804, id: 17, d: 4.38, u: 5.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13  HE2    A -   PHE13  HB3    A    d: 4.37 +/- 0.01, weight: 1.0
      PHE13  HE1    A -   PHE13  HB3    A

ref_spec: NOESY_0.3s_2019, ref_peak: 809, id: 22, d: 2.21, u: 2.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18    H    A -   GLY17  HA3    A    d: 2.54 +/- 0.43, weight: 0.7

      ASN18    H    A -   GLY17  HA2    A    d: 3.02 +/- 0.49, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 810, id: 23, d: 3.02, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18 HD22    A -   ASN18  HB2    A    d: 2.82 +/- 0.63, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 811, id: 24, d: 3.04, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18 HD22    A -   ASN18  HB3    A    d: 3.11 +/- 0.58, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 812, id: 25, d: 3.64, u: 6.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18 HD21    A -   ASN18  HB2    A    d: 3.63 +/- 0.29, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 813, id: 26, d: 3.70, u: 6.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18 HD21    A -   ASN18  HB3    A    d: 3.76 +/- 0.32, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 814, id: 27, d: 2.94, u: 5.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS19    H    A -   ASN18   HA    A    d: 3.05 +/- 0.54, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 815, id: 28, d: 2.62, u: 3.20, u_viol: 0.22, %_viol: 11.4, viol: no, reliable: no, a_type: M
      GLY20    H    A -   CYS19   HA    A    d: 2.68 +/- 0.51, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 818, id: 31, d: 4.38, u: 4.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE22  HE2    A -   PHE22  HB3    A    d: 4.38 +/- 0.01, weight: 1.0
      PHE22  HE1    A -   PHE22  HB3    A

ref_spec: NOESY_0.3s_2019, ref_peak: 819, id: 32, d: 4.42, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE22  HE2    A -   PHE22  HB2    A    d: 4.42 +/- 0.02, weight: 1.0
      PHE22  HE1    A -   PHE22  HB2    A

ref_spec: NOESY_0.3s_2019, ref_peak: 824, id: 37, d: 2.19, u: 2.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL24    H    A -   ARG23   HA    A    d: 2.18 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 834, id: 46, d: 3.50, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY17    H    A -   ILE16 HG22    A    d: 3.53 +/- 0.16, weight: 1.0
      GLY17    H    A -   ILE16 HG21    A
      GLY17    H    A -   ILE16 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 835, id: 47, d: 3.20, u: 3.69, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25    H    A -   VAL24 HG22    A    d: 3.77 +/- 0.42, weight: 0.5
      ARG25    H    A -   VAL24 HG21    A
      ARG25    H    A -   VAL24 HG23    A

      ARG25    H    A -   VAL24 HG13    A    d: 3.69 +/- 0.54, weight: 0.5
      ARG25    H    A -   VAL24 HG12    A
      ARG25    H    A -   VAL24 HG11    A

ref_spec: NOESY_0.3s_2019, ref_peak: 836, id: 48, d: 3.70, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16 HG22    A    d: 3.74 +/- 0.28, weight: 1.0
      ILE16    H    A -   ILE16 HG21    A
      ILE16    H    A -   ILE16 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 837, id: 49, d: 3.62, u: 5.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16 HD12    A    d: 3.69 +/- 0.21, weight: 1.0
      ILE16    H    A -   ILE16 HD13    A
      ILE16    H    A -   ILE16 HD11    A

ref_spec: NOESY_0.3s_2019, ref_peak: 838, id: 50, d: 2.16, u: 3.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL24    H    A -   VAL24 HG13    A    d: 3.14 +/- 0.82, weight: 0.2
      VAL24    H    A -   VAL24 HG12    A
      VAL24    H    A -   VAL24 HG11    A

      VAL24    H    A -   VAL24 HG22    A    d: 2.52 +/- 0.67, weight: 0.8
      VAL24    H    A -   VAL24 HG21    A
      VAL24    H    A -   VAL24 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 839, id: 51, d: 3.61, u: 4.06, u_viol: 0.48, %_viol: 2.9, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16 HG13    A    d: 3.65 +/- 0.22, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 840, id: 52, d: 3.69, u: 4.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12    H    A -   THR11 HG22    A    d: 3.62 +/- 0.44, weight: 1.0
      ALA12    H    A -   THR11 HG21    A
      ALA12    H    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 846, id: 54, d: 2.26, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12    H    A -   ALA12  HB2    A    d: 2.28 +/- 0.05, weight: 1.0
      ALA12    H    A -   ALA12  HB3    A
      ALA12    H    A -   ALA12  HB1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 849, id: 56, d: 3.57, u: 4.49, u_viol: 0.22, %_viol: 5.7, viol: no, reliable: no, a_type: M
       ILE4    H    A -    ILE4 HG12    A    d: 3.73 +/- 0.60, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 850, id: 57, d: 3.07, u: 3.86, u_viol: 0.14, %_viol: 34.3, viol: no, reliable: no, a_type: M
      ARG21    H    A -   ARG21  HG2    A    d: 3.56 +/- 0.80, weight: 0.5

      ARG21    H    A -   ARG21  HG3    A    d: 3.61 +/- 0.78, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 853, id: 58, d: 2.42, u: 4.28, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16 HG12    A    d: 2.45 +/- 0.38, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 855, id: 59, d: 3.27, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25    H    A -   ARG25  HG3    A    d: 2.97 +/- 0.91, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 856, id: 60, d: 3.82, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25    H    A -   ARG25  HG2    A    d: 3.48 +/- 0.76, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 859, id: 61, d: 3.99, u: 6.41, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: M
      ARG28    H    A -   ARG28  HG2    A    d: 4.13 +/- 0.73, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 860, id: 62, d: 2.68, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23    H    A -   ARG23  HG3    A    d: 3.03 +/- 0.74, weight: 0.8

ref_spec: NOESY_0.3s_2019, ref_peak: 861, id: 63, d: 3.67, u: 4.49, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   ARG14  HG2    A    d: 3.81 +/- 0.83, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 863, id: 65, d: 2.46, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21    H    A -   ARG21  HB3    A    d: 2.81 +/- 0.49, weight: 0.7

      ARG21    H    A -   ARG21  HB2    A    d: 3.13 +/- 0.56, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 864, id: 66, d: 3.06, u: 3.83, u_viol: 0.07, %_viol: 2.9, viol: no, reliable: no, a_type: M
      PHE22    H    A -   ARG21  HB3    A    d: 3.39 +/- 0.55, weight: 0.6

      PHE22    H    A -   ARG21  HB2    A    d: 3.73 +/- 0.53, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 865, id: 67, d: 2.61, u: 3.51, u_viol: 0.13, %_viol: 11.4, viol: no, reliable: no, a_type: M
      ARG14    H    A -   ARG14  HB3    A    d: 2.61 +/- 0.33, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 866, id: 68, d: 3.14, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   ARG14  HB2    A    d: 2.98 +/- 0.53, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 867, id: 69, d: 3.34, u: 5.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30    H    A -   ARG30  HB3    A    d: 3.24 +/- 0.43, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 868, id: 70, d: 2.62, u: 3.12, u_viol: 0.13, %_viol: 8.6, viol: no, reliable: no, a_type: M
      ARG23    H    A -   ARG23  HB3    A    d: 3.41 +/- 0.46, weight: 0.3

       ILE4    H    A -    ILE4   HB    A    d: 2.97 +/- 0.48, weight: 0.7

ref_spec: NOESY_0.3s_2019, ref_peak: 869, id: 71, d: 2.78, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23    H    A -   ARG23  HB2    A    d: 2.62 +/- 0.32, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 870, id: 72, d: 3.47, u: 4.17, u_viol: 0.11, %_viol: 5.7, viol: no, reliable: no, a_type: M
      VAL24    H    A -   ARG23  HB3    A    d: 3.44 +/- 0.43, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 871, id: 73, d: 3.89, u: 4.18, u_viol: 0.11, %_viol: 8.6, viol: no, reliable: no, a_type: M
      VAL24    H    A -   ARG23  HB2    A    d: 4.06 +/- 0.40, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 872, id: 74, d: 3.70, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   ARG14  HB3    A    d: 3.77 +/- 0.48, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 873, id: 75, d: 4.03, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   ARG14  HB2    A    d: 3.91 +/- 0.50, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 874, id: 76, d: 2.54, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28    H    A -   ARG28  HB3    A    d: 2.60 +/- 0.21, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 875, id: 77, d: 2.86, u: 3.28, u_viol: 0.31, %_viol: 34.3, viol: no, reliable: no, a_type: M
      ARG25    H    A -   ARG25  HB3    A    d: 2.87 +/- 0.54, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 876, id: 78, d: 2.83, u: 3.56, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25    H    A -   ARG25  HB2    A    d: 3.00 +/- 0.55, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 877, id: 79, d: 2.81, u: 3.78, u_viol: 0.15, %_viol: 2.9, viol: no, reliable: no, a_type: M
      GLY17    H    A -   ILE16   HB    A    d: 2.80 +/- 0.30, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 878, id: 80, d: 3.52, u: 4.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       CYS9    H    A -    PRO8  HB2    A    d: 3.55 +/- 0.74, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 879, id: 81, d: 2.98, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28    H    A -   ARG28  HB2    A    d: 2.86 +/- 0.47, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 881, id: 83, d: 2.53, u: 3.39, u_viol: 0.26, %_viol: 2.9, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16   HB    A    d: 2.52 +/- 0.04, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 882, id: 84, d: 3.50, u: 5.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30    H    A -   ARG30  HB2    A    d: 3.45 +/- 0.38, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 883, id: 85, d: 3.76, u: 5.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   PRO10  HB3    A    d: 3.71 +/- 0.26, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 884, id: 86, d: 5.78, u: 6.29, u_viol: 1.48, %_viol: 28.6, viol: no, reliable: no, a_type: M
       GLY7    H    A -   PRO10  HG3    A    d: 6.63 +/- 1.79, weight: 0.5

       GLY7    H    A -   PRO10  HG2    A    d: 6.60 +/- 1.73, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 889, id: 89, d: 3.23, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   GLN15  HB2    A    d: 3.18 +/- 0.51, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 890, id: 90, d: 2.50, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   GLN15  HB2    A    d: 2.49 +/- 0.11, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 891, id: 91, d: 2.99, u: 3.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   GLN15  HB3    A    d: 2.92 +/- 0.48, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 892, id: 92, d: 3.82, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   GLN15  HB3    A    d: 3.65 +/- 0.50, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 893, id: 93, d: 2.80, u: 3.28, u_viol: 0.44, %_viol: 14.3, viol: no, reliable: no, a_type: M
      VAL24    H    A -   VAL24   HB    A    d: 2.80 +/- 0.44, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 894, id: 94, d: 3.48, u: 4.12, u_viol: 0.14, %_viol: 11.4, viol: no, reliable: no, a_type: M
      ARG25    H    A -   VAL24   HB    A    d: 3.76 +/- 0.69, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 895, id: 95, d: 3.59, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       CYS9    H    A -    PRO8  HG2    A    d: 4.43 +/- 0.42, weight: 0.3

       CYS9    H    A -    PRO8  HG3    A    d: 3.89 +/- 0.57, weight: 0.7

ref_spec: NOESY_0.3s_2019, ref_peak: 897, id: 97, d: 4.07, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       CYS9    H    A -    PRO8  HB3    A    d: 4.06 +/- 0.20, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 898, id: 98, d: 4.11, u: 5.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   GLN15  HG3    A    d: 4.65 +/- 0.49, weight: 0.5

      ILE16    H    A -   GLN15  HG2    A    d: 4.66 +/- 0.44, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 900, id: 99, d: 3.64, u: 7.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   PRO10  HB2    A    d: 3.81 +/- 0.22, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 901, id: 100, d: 4.11, u: 9.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12    H    A -   PRO10  HB2    A    d: 4.36 +/- 0.54, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 903, id: 101, d: 2.98, u: 3.59, u_viol: 0.08, %_viol: 8.6, viol: no, reliable: no, a_type: M
      ASN18    H    A -   ASN18  HB3    A    d: 2.97 +/- 0.45, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 904, id: 102, d: 3.15, u: 3.83, u_viol: 0.11, %_viol: 2.9, viol: no, reliable: no, a_type: M
      ASN18    H    A -   ASN18  HB2    A    d: 3.12 +/- 0.45, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 905, id: 103, d: 3.17, u: 4.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28    H    A -   CYS27  HB3    A    d: 3.92 +/- 0.53, weight: 0.4

      ARG28    H    A -   CYS27  HB2    A    d: 3.93 +/- 0.43, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 906, id: 104, d: 2.29, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS26    H    A -   CYS26  HB2    A    d: 2.70 +/- 0.38, weight: 0.5

      CYS26    H    A -   CYS26  HB3    A    d: 3.04 +/- 0.51, weight: 0.2

       CYS9    H    A -    CYS9  HB3    A    d: 3.21 +/- 0.41, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 907, id: 105, d: 2.30, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS27    H    A -   CYS27  HB3    A    d: 2.98 +/- 0.52, weight: 0.3

      CYS27    H    A -   CYS26  HB2    A    d: 3.32 +/- 0.60, weight: 0.2

      CYS27    H    A -   CYS27  HB2    A    d: 2.83 +/- 0.45, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 908, id: 106, d: 3.57, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY20    H    A -   CYS19  HB3    A    d: 4.05 +/- 0.52, weight: 0.5

      GLY20    H    A -   CYS19  HB2    A    d: 4.06 +/- 0.46, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 909, id: 107, d: 2.84, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS19    H    A -   CYS19  HB2    A    d: 3.27 +/- 0.48, weight: 0.4

      CYS19    H    A -   CYS19  HB3    A    d: 3.16 +/- 0.45, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 910, id: 108, d: 2.81, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6    H    A -    TRP6  HB2    A    d: 2.89 +/- 0.44, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 912, id: 110, d: 2.57, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE22    H    A -   PHE22  HB3    A    d: 3.07 +/- 0.55, weight: 0.7

      ARG23    H    A -   PHE22  HB3    A    d: 3.43 +/- 0.67, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 913, id: 111, d: 2.63, u: 3.28, u_viol: 0.32, %_viol: 14.3, viol: no, reliable: no, a_type: M
      PHE13    H    A -   PHE13  HB2    A    d: 2.75 +/- 0.44, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 915, id: 113, d: 3.24, u: 3.42, u_viol: 0.20, %_viol: 22.9, viol: no, reliable: no, a_type: M
      PHE22    H    A -   PHE22  HB2    A    d: 3.14 +/- 0.29, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 916, id: 114, d: 3.91, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   PHE13  HB2    A    d: 4.02 +/- 0.11, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 917, id: 115, d: 3.01, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   PHE13  HB3    A    d: 3.07 +/- 0.37, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 918, id: 116, d: 4.09, u: 6.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY7    H    A -    TRP6  HB2    A    d: 4.27 +/- 0.33, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 922, id: 119, d: 2.91, u: 5.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1 HD22    A -    ASN1  HB3    A    d: 2.91 +/- 0.52, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 924, id: 121, d: 3.75, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1 HD21    A -    ASN1  HB3    A    d: 3.79 +/- 0.24, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 925, id: 122, d: 3.80, u: 6.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1 HD21    A -    ASN1  HB2    A    d: 3.84 +/- 0.25, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 926, id: 123, d: 3.18, u: 4.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY2    H    A -    ASN1   HA    A    d: 3.12 +/- 0.33, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 930, id: 124, d: 2.37, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY20    H    A -   GLY20  HA3    A    d: 2.77 +/- 0.21, weight: 0.4

      GLY20    H    A -   GLY20  HA2    A    d: 2.59 +/- 0.26, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 932, id: 126, d: 2.41, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY2    H    A -    GLY2  HA3    A    d: 2.74 +/- 0.21, weight: 0.5

       GLY2    H    A -    GLY2  HA2    A    d: 2.72 +/- 0.22, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 935, id: 128, d: 2.88, u: 3.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16    H    A -   ILE16   HA    A    d: 2.89 +/- 0.04, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 937, id: 129, d: 2.38, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   THR11   HA    A    d: 2.93 +/- 0.01, weight: 0.3

      ARG14    H    A -   ARG14   HA    A    d: 2.87 +/- 0.03, weight: 0.3

      ARG21    H    A -   ARG21   HA    A    d: 2.90 +/- 0.05, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 939, id: 130, d: 2.88, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   GLN15   HA    A    d: 2.87 +/- 0.04, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 940, id: 131, d: 2.89, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28    H    A -   ARG28   HA    A    d: 2.89 +/- 0.04, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 942, id: 132, d: 2.82, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6    H    A -    TRP6   HA    A    d: 2.83 +/- 0.23, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 943, id: 133, d: 2.84, u: 4.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18    H    A -   ASN18   HA    A    d: 2.82 +/- 0.23, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 946, id: 134, d: 4.98, u: 4.84, u_viol: 0.22, %_viol: 54.3, viol: yes, reliable: no, a_type: M
      GLN15    H    A -   ILE16   HA    A    d: 5.04 +/- 0.14, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 954, id: 139, d: 3.87, u: 6.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13    H    A -   PHE13  HD2    A    d: 3.77 +/- 0.72, weight: 1.0
      PHE13    H    A -   PHE13  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 955, id: 140, d: 4.10, u: 6.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   PHE13  HD2    A    d: 4.05 +/- 0.41, weight: 1.0
      ARG14    H    A -   PHE13  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 959, id: 144, d: 5.14, u: 5.29, u_viol: 0.98, %_viol: 45.7, viol: no, reliable: no, a_type: M
      CYS19    H    A -   ARG21    H    A    d: 5.25 +/- 1.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 960, id: 145, d: 2.34, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   ARG14    H    A    d: 2.51 +/- 0.10, weight: 0.8

ref_spec: NOESY_0.3s_2019, ref_peak: 974, id: 154, d: 4.26, u: 4.56, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4    H    A -    CYS5    H    A    d: 4.18 +/- 0.28, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 977, id: 155, d: 2.83, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6  HE1    A -    TRP6  HZ2    A    d: 2.83 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 978, id: 156, d: 2.57, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6  HE1    A -    TRP6  HD1    A    d: 2.57 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 979, id: 157, d: 2.15, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12    H    A -   THR11    H    A    d: 2.12 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 984, id: 159, d: 2.39, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   ILE16    H    A    d: 2.39 +/- 0.17, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 991, id: 165, d: 2.46, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6  HE3    A -    TRP6  HZ3    A    d: 2.46 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 992, id: 166, d: 2.45, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6  HZ2    A -    TRP6  HH2    A    d: 2.46 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 994, id: 167, d: 3.37, u: 5.29, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: M
       CYS5    H    A -    TRP6  HD1    A    d: 4.55 +/- 1.37, weight: 0.2

       TRP6    H    A -    TRP6  HD1    A    d: 3.74 +/- 0.84, weight: 0.8

ref_spec: NOESY_0.3s_2019, ref_peak: 995, id: 168, d: 2.57, u: 4.03, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: M
      PHE22    H    A -   PHE22  HD2    A    d: 3.43 +/- 0.86, weight: 0.5
      PHE22    H    A -   PHE22  HD1    A

      ARG23    H    A -   PHE22  HD2    A    d: 3.53 +/- 0.46, weight: 0.4
      ARG23    H    A -   PHE22  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 996, id: 169, d: 3.43, u: 4.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13    H    A -   PHE13  HD2    A    d: 3.77 +/- 0.72, weight: 0.6
      PHE13    H    A -   PHE13  HD1    A

      ARG14    H    A -   PHE13  HD2    A    d: 4.05 +/- 0.41, weight: 0.4
      ARG14    H    A -   PHE13  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 997, id: 170, d: 1.73, u: 1.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1 HD22    A -    ASN1 HD21    A    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 998, id: 171, d: 1.73, u: 1.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ASN18 HD22    A -   ASN18 HD21    A    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 999, id: 172, d: 1.73, u: 1.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15 HE22    A -   GLN15 HE21    A    d: 1.73 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1004, id: 176, d: 2.18, u: 2.10, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13  HD2    A -   PHE13  HE2    A    d: 2.18 +/- 0.00, weight: 1.0
      PHE13  HD2    A -   PHE13  HE1    A
      PHE13  HD1    A -   PHE13  HE2    A
      PHE13  HD1    A -   PHE13  HE1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1008, id: 179, d: 2.44, u: 2.30, u_viol: 0.13, %_viol: 100.0, viol: yes, reliable: no, a_type: M
       TRP6  HH2    A -    TRP6  HZ3    A    d: 2.44 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1013, id: 184, d: 2.69, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6  HD1    A -    TRP6  HB2    A    d: 2.68 +/- 0.10, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1014, id: 185, d: 1.96, u: 3.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14   HE    A -   ARG14  HD2    A    d: 2.79 +/- 0.06, weight: 0.1

      ARG23   HE    A -   ARG23  HD3    A    d: 2.78 +/- 0.08, weight: 0.1

      ARG23   HE    A -   ARG23  HD2    A    d: 2.80 +/- 0.08, weight: 0.1

      ARG25   HE    A -   ARG25  HD3    A    d: 2.78 +/- 0.10, weight: 0.1

      ARG25   HE    A -   ARG25  HD2    A    d: 2.79 +/- 0.10, weight: 0.1

      ARG30   HE    A -   ARG30  HD3    A    d: 2.80 +/- 0.11, weight: 0.1

      ARG30   HE    A -   ARG30  HD2    A    d: 2.77 +/- 0.12, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1015, id: 186, d: 2.48, u: 3.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14   HE    A -   ARG14  HD3    A    d: 2.80 +/- 0.06, weight: 0.5

      ARG14   HE    A -   ARG14  HD2    A    d: 2.79 +/- 0.06, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1016, id: 187, d: 2.48, u: 3.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21   HE    A -   ARG21  HD2    A    d: 2.78 +/- 0.08, weight: 0.5

      ARG21   HE    A -   ARG21  HD3    A    d: 2.80 +/- 0.08, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1018, id: 188, d: 4.49, u: 5.53, u_viol: 0.91, %_viol: 20.0, viol: no, reliable: no, a_type: M
       TRP6  HD1    A -    CYS5  HB2    A    d: 5.06 +/- 1.15, weight: 0.5

       TRP6  HD1    A -    CYS5  HB3    A    d: 4.94 +/- 1.13, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1019, id: 189, d: 2.51, u: 4.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HE    A -   ARG30  HG2    A    d: 2.86 +/- 0.44, weight: 0.5

      ARG30   HE    A -   ARG30  HG3    A    d: 2.91 +/- 0.47, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1021, id: 191, d: 2.45, u: 5.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4   HA    A -    ILE4 HG23    A    d: 2.64 +/- 0.42, weight: 1.0
       ILE4   HA    A -    ILE4 HG22    A
       ILE4   HA    A -    ILE4 HG21    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1022, id: 192, d: 2.97, u: 4.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16   HA    A -   ILE16 HD12    A    d: 3.31 +/- 0.82, weight: 1.0
      ILE16   HA    A -   ILE16 HD13    A
      ILE16   HA    A -   ILE16 HD11    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1023, id: 193, d: 2.41, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16   HA    A -   ILE16 HG22    A    d: 2.43 +/- 0.14, weight: 1.0
      ILE16   HA    A -   ILE16 HG21    A
      ILE16   HA    A -   ILE16 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1025, id: 195, d: 3.53, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY17  HA3    A -   ILE16 HG22    A    d: 4.02 +/- 0.51, weight: 0.6
      GLY17  HA3    A -   ILE16 HG21    A
      GLY17  HA3    A -   ILE16 HG23    A

      GLY17  HA2    A -   ILE16 HG22    A    d: 4.24 +/- 0.42, weight: 0.4
      GLY17  HA2    A -   ILE16 HG21    A
      GLY17  HA2    A -   ILE16 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1026, id: 196, d: 3.09, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23   HA    A -   VAL24 HG22    A    d: 4.03 +/- 0.75, weight: 0.3
      ARG23   HA    A -   VAL24 HG21    A
      ARG23   HA    A -   VAL24 HG23    A

      ARG25   HA    A -   VAL24 HG22    A    d: 4.59 +/- 0.92, weight: 0.2
      ARG25   HA    A -   VAL24 HG21    A
      ARG25   HA    A -   VAL24 HG23    A

      ARG25   HA    A -   VAL24 HG13    A    d: 3.98 +/- 0.70, weight: 0.4
      ARG25   HA    A -   VAL24 HG12    A
      ARG25   HA    A -   VAL24 HG11    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1028, id: 197, d: 2.61, u: 4.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29   HA    A -   ILE29 HG21    A    d: 2.72 +/- 0.43, weight: 1.0
      ILE29   HA    A -   ILE29 HG22    A
      ILE29   HA    A -   ILE29 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1030, id: 199, d: 2.13, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11   HB    A -   THR11 HG22    A    d: 2.14 +/- 0.00, weight: 1.0
      THR11   HB    A -   THR11 HG21    A
      THR11   HB    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1034, id: 202, d: 3.04, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16   HA    A -   ILE16 HG12    A    d: 3.04 +/- 0.12, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1037, id: 203, d: 3.13, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14   HA    A -   ARG14  HG3    A    d: 3.27 +/- 0.45, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1038, id: 204, d: 2.84, u: 4.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23   HA    A -   ARG23  HG2    A    d: 3.29 +/- 0.65, weight: 0.4

      ARG23   HA    A -   ARG23  HG3    A    d: 3.13 +/- 0.30, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1039, id: 205, d: 2.33, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21   HA    A -   ARG21  HB3    A    d: 2.80 +/- 0.28, weight: 0.4

      ARG21   HA    A -   ARG21  HB2    A    d: 2.60 +/- 0.24, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1041, id: 207, d: 2.17, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23   HA    A -   ARG23  HB2    A    d: 2.85 +/- 0.25, weight: 0.2

      ARG25   HA    A -   ARG25  HB3    A    d: 2.64 +/- 0.26, weight: 0.4

      ARG28   HA    A -   ARG28  HB3    A    d: 2.70 +/- 0.26, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1042, id: 208, d: 2.61, u: 3.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14   HA    A -   ARG14  HB2    A    d: 2.65 +/- 0.26, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1062, id: 220, d: 2.79, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4   HA    A -    ILE4   HB    A    d: 2.73 +/- 0.28, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1067, id: 223, d: 2.50, u: 2.75, u_viol: 0.12, %_viol: 11.4, viol: no, reliable: no, a_type: M
      ARG21    H    A -   GLY20  HA2    A    d: 2.51 +/- 0.22, weight: 0.9

ref_spec: NOESY_0.3s_2019, ref_peak: 1068, id: 224, d: 2.38, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY7  HA3    A -    GLY7    H    A    d: 2.71 +/- 0.23, weight: 0.5

       GLY7  HA2    A -    GLY7    H    A    d: 2.69 +/- 0.24, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1069, id: 225, d: 2.96, u: 3.17, u_viol: 0.35, %_viol: 48.6, viol: no, reliable: no, a_type: M
      ARG30    H    A -   ILE29   HA    A    d: 2.94 +/- 0.53, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1070, id: 226, d: 3.09, u: 3.70, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11   HB    A -   THR11    H    A    d: 3.12 +/- 0.53, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1071, id: 227, d: 2.60, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   THR11   HA    A    d: 2.93 +/- 0.01, weight: 0.5

      ARG21    H    A -   ARG21   HA    A    d: 2.90 +/- 0.05, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1073, id: 229, d: 2.84, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12   HA    A -   ALA12    H    A    d: 2.87 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1076, id: 232, d: 2.91, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL24    H    A -   VAL24   HA    A    d: 2.89 +/- 0.03, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1081, id: 237, d: 3.48, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29    H    A -   ARG28   HA    A    d: 3.49 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1083, id: 239, d: 3.43, u: 3.36, u_viol: 0.11, %_viol: 37.1, viol: no, reliable: no, a_type: M
       CYS9    H    A -    PRO8   HA    A    d: 3.43 +/- 0.07, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1088, id: 244, d: 2.28, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY17    H    A -   GLY17  HA2    A    d: 2.57 +/- 0.27, weight: 0.6

      GLY17    H    A -   GLY17  HA3    A    d: 2.68 +/- 0.27, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1090, id: 246, d: 2.88, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS27   HA    A -   CYS27    H    A    d: 2.89 +/- 0.03, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1093, id: 248, d: 3.42, u: 5.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLY20  HA2    A -   PHE22    H    A    d: 3.58 +/- 0.34, weight: 0.8

ref_spec: NOESY_0.3s_2019, ref_peak: 1094, id: 249, d: 2.91, u: 4.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4    H    A -    ILE4   HA    A    d: 2.92 +/- 0.03, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1095, id: 250, d: 3.56, u: 4.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       TRP6    H    A -    TRP6  HB3    A    d: 3.54 +/- 0.42, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1099, id: 253, d: 2.65, u: 3.50, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13    H    A -   PHE13  HB3    A    d: 2.63 +/- 0.30, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1101, id: 255, d: 3.33, u: 3.44, u_viol: 0.29, %_viol: 57.1, viol: yes, reliable: no, a_type: M
      PHE22    H    A -   PHE22  HB3    A    d: 3.07 +/- 0.55, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1104, id: 256, d: 2.56, u: 3.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       CYS5  HB3    A -    CYS5    H    A    d: 3.05 +/- 0.48, weight: 0.5

       CYS5  HB2    A -    CYS5    H    A    d: 3.02 +/- 0.50, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1108, id: 260, d: 2.39, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS27    H    A -   CYS27  HB2    A    d: 2.83 +/- 0.45, weight: 0.6

      CYS27    H    A -   CYS27  HB3    A    d: 2.98 +/- 0.52, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1113, id: 263, d: 3.04, u: 5.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1 HD22    A -    ASN1  HB2    A    d: 3.01 +/- 0.53, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1120, id: 269, d: 2.44, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE22  HB2    A -   PHE22  HD2    A    d: 2.47 +/- 0.07, weight: 1.0
      PHE22  HB2    A -   PHE22  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1138, id: 279, d: 2.05, u: 3.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS27  HB3    A -   CYS27   HA    A    d: 2.67 +/- 0.28, weight: 0.2

      CYS26  HB3    A -   CYS26   HA    A    d: 2.52 +/- 0.18, weight: 0.3

      CYS27  HB2    A -   CYS27   HA    A    d: 2.69 +/- 0.28, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1143, id: 282, d: 2.81, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1  HB2    A -    ASN1   HA    A    d: 2.79 +/- 0.27, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1144, id: 283, d: 4.14, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS19  HB2    A -   GLY20  HA3    A    d: 5.34 +/- 0.56, weight: 0.3

      CYS19  HB3    A -   GLY20  HA2    A    d: 5.46 +/- 0.66, weight: 0.2

      CYS19  HB3    A -   GLY20  HA3    A    d: 5.35 +/- 0.52, weight: 0.3

      CYS19  HB2    A -   GLY20  HA2    A    d: 5.52 +/- 0.56, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1145, id: 284, d: 3.93, u: 4.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO10  HD2    A -    CYS9  HB3    A    d: 4.65 +/- 0.52, weight: 0.4

      PRO10  HD2    A -    CYS9  HB2    A    d: 4.49 +/- 0.62, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1146, id: 285, d: 2.28, u: 3.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY7  HA2    A -    PRO8  HD3    A    d: 2.82 +/- 0.61, weight: 0.5

       GLY7  HA3    A -    PRO8  HD3    A    d: 2.84 +/- 0.55, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1147, id: 286, d: 2.47, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY7  HA2    A -    PRO8  HD2    A    d: 2.98 +/- 0.59, weight: 0.5

       GLY7  HA3    A -    PRO8  HD2    A    d: 3.01 +/- 0.65, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1155, id: 288, d: 1.77, u: 2.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD2    A -    PRO8  HD3    A    d: 1.77 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1160, id: 292, d: 1.76, u: 2.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE22  HB3    A -   PHE22  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1161, id: 293, d: 1.76, u: 1.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13  HB3    A -   PHE13  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1164, id: 296, d: 1.76, u: 1.72, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ASN1  HB3    A -    ASN1  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1171, id: 299, d: 2.20, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD3    A -    PRO8  HG3    A    d: 2.48 +/- 0.20, weight: 0.6

       PRO8  HD3    A -    PRO8  HG2    A    d: 2.59 +/- 0.28, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1173, id: 301, d: 2.28, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28  HD3    A -   ARG28  HG3    A    d: 2.82 +/- 0.28, weight: 0.3

      ARG28  HD2    A -   ARG28  HG3    A    d: 2.47 +/- 0.10, weight: 0.7

ref_spec: NOESY_0.3s_2019, ref_peak: 1174, id: 302, d: 2.33, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28  HD2    A -   ARG28  HG2    A    d: 2.99 +/- 0.13, weight: 0.2

      ARG28  HD3    A -   ARG28  HG2    A    d: 2.44 +/- 0.03, weight: 0.8

ref_spec: NOESY_0.3s_2019, ref_peak: 1175, id: 303, d: 2.04, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23  HD2    A -   ARG23  HG2    A    d: 2.62 +/- 0.27, weight: 0.3

      ARG23  HD2    A -   ARG23  HG3    A    d: 2.59 +/- 0.24, weight: 0.3

      ARG23  HD3    A -   ARG23  HG2    A    d: 2.71 +/- 0.29, weight: 0.2

      ARG23  HD3    A -   ARG23  HG3    A    d: 2.74 +/- 0.29, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1176, id: 304, d: 2.04, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HD2    A -   ARG14  HG3    A    d: 2.55 +/- 0.22, weight: 0.3

      ARG14  HD3    A -   ARG14  HG2    A    d: 2.61 +/- 0.27, weight: 0.3

      ARG14  HD3    A -   ARG14  HG3    A    d: 2.71 +/- 0.29, weight: 0.2

      ARG14  HD2    A -   ARG14  HG2    A    d: 2.71 +/- 0.29, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1179, id: 307, d: 4.01, u: 5.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD3    A -    PRO8  HB3    A    d: 4.01 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1181, id: 309, d: 2.07, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG28  HD2    A -   ARG28  HB3    A    d: 3.05 +/- 0.51, weight: 0.2

      ARG14  HD3    A -   ARG14  HB2    A    d: 3.15 +/- 0.53, weight: 0.1

      ARG23  HD3    A -   ARG23  HB2    A    d: 3.09 +/- 0.41, weight: 0.1

      ARG23  HD2    A -   ARG23  HB2    A    d: 3.24 +/- 0.68, weight: 0.1

      ARG25  HD3    A -   ARG25  HB3    A    d: 3.22 +/- 0.50, weight: 0.1

      ARG25  HD2    A -   ARG25  HB3    A    d: 2.98 +/- 0.50, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1182, id: 310, d: 2.64, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HD2    A -   ARG14  HB2    A    d: 3.31 +/- 0.49, weight: 0.4

      ARG14  HD3    A -   ARG14  HB2    A    d: 3.15 +/- 0.53, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1184, id: 312, d: 2.84, u: 4.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23  HD2    A -   ARG23  HB3    A    d: 3.46 +/- 0.50, weight: 0.3

      ARG23  HD3    A -   ARG23  HB3    A    d: 3.03 +/- 0.53, weight: 0.7

ref_spec: NOESY_0.3s_2019, ref_peak: 1187, id: 314, d: 3.48, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15    H    A -   GLN15  HG3    A    d: 4.17 +/- 0.55, weight: 0.5

      GLN15    H    A -   GLN15  HG2    A    d: 4.13 +/- 0.72, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1199, id: 323, d: 4.65, u: 5.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   PRO10  HG3    A    d: 5.34 +/- 0.36, weight: 0.5

      THR11    H    A -   PRO10  HG2    A    d: 5.29 +/- 0.34, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1203, id: 326, d: 3.16, u: 4.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29    H    A -   ILE29   HB    A    d: 3.23 +/- 0.44, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1216, id: 334, d: 4.08, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28  HG3    A -   ARG28    H    A    d: 4.17 +/- 0.70, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1233, id: 345, d: 2.28, u: 4.51, u_viol: 0.00, %_viol: 5.7, viol: no, reliable: no, a_type: A
      PHE22    H    A -   ARG21  HB3    A    d: 3.39 +/- 0.55, weight: 0.2

      PHE22    H    A -   ARG21  HB2    A    d: 3.73 +/- 0.53, weight: 0.1

      ARG23    H    A -   ARG23  HG3    A    d: 3.03 +/- 0.74, weight: 0.4

      ARG23    H    A -   ARG23  HG2    A    d: 3.91 +/- 0.44, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1235, id: 347, d: 3.48, u: 4.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14    H    A -   ARG14  HG3    A    d: 3.70 +/- 0.93, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1238, id: 350, d: 3.18, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21  HG2    A -   PHE22    H    A    d: 4.28 +/- 0.82, weight: 0.2

      ARG21  HG3    A -   PHE22    H    A    d: 4.37 +/- 0.86, weight: 0.2

       ILE4    H    A -    ILE4 HG12    A    d: 3.73 +/- 0.60, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1242, id: 354, d: 2.94, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PHE13    H    A -   ALA12  HB2    A    d: 2.96 +/- 0.26, weight: 1.0
      PHE13    H    A -   ALA12  HB3    A
      PHE13    H    A -   ALA12  HB1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1243, id: 355, d: 3.06, u: 3.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      THR11    H    A -   THR11 HG22    A    d: 3.01 +/- 0.70, weight: 1.0
      THR11    H    A -   THR11 HG21    A
      THR11    H    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1257, id: 366, d: 2.92, u: 4.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15   HA    A -   GLN15  HB2    A    d: 2.89 +/- 0.23, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1265, id: 370, d: 5.76, u: 6.89, u_viol: 0.30, %_viol: 11.4, viol: no, reliable: no, a_type: M
      GLN15  HB3    A -   PHE13   HA    A    d: 5.59 +/- 0.68, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1266, id: 371, d: 2.67, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25   HA    A -   ARG25  HB2    A    d: 2.65 +/- 0.26, weight: 0.9

ref_spec: NOESY_0.3s_2019, ref_peak: 1267, id: 372, d: 2.30, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23   HA    A -   ARG23  HB2    A    d: 2.85 +/- 0.25, weight: 0.3

      ARG25   HA    A -   ARG25  HB3    A    d: 2.64 +/- 0.26, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1269, id: 374, d: 2.66, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG28   HA    A -   ARG28  HB2    A    d: 2.80 +/- 0.27, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1270, id: 375, d: 2.61, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG23   HA    A -   ARG23  HB3    A    d: 2.56 +/- 0.22, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1272, id: 377, d: 2.52, u: 4.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23   HA    A -   ARG23  HG3    A    d: 3.13 +/- 0.30, weight: 0.4

      ARG23   HA    A -   ARG23  HG2    A    d: 3.29 +/- 0.65, weight: 0.3

      ARG25  HG2    A -   ARG25   HA    A    d: 3.45 +/- 0.46, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1273, id: 378, d: 2.96, u: 4.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG25  HG3    A -   ARG25   HA    A    d: 3.16 +/- 0.49, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1275, id: 380, d: 2.87, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HB3    A -   ARG14   HA    A    d: 2.77 +/- 0.28, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1278, id: 383, d: 2.69, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: S
      ILE29   HB    A -   ILE29   HA    A    d: 2.66 +/- 0.27, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1280, id: 385, d: 3.77, u: 5.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HG3    A -    GLY7  HA3    A    d: 5.02 +/- 0.49, weight: 0.2

       PRO8  HG3    A -    GLY7  HA2    A    d: 4.95 +/- 0.56, weight: 0.2

       PRO8  HG2    A -    GLY7  HA3    A    d: 4.82 +/- 0.58, weight: 0.3

       PRO8  HG2    A -    GLY7  HA2    A    d: 4.87 +/- 0.45, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1282, id: 387, d: 2.81, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HG2    A -   ARG14   HA    A    d: 2.87 +/- 0.41, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1286, id: 391, d: 2.13, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12   HA    A -   ALA12  HB2    A    d: 2.13 +/- 0.00, weight: 1.0
      ALA12   HA    A -   ALA12  HB3    A
      ALA12   HA    A -   ALA12  HB1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1287, id: 392, d: 2.48, u: 3.00, u_viol: 0.22, %_viol: 14.3, viol: no, reliable: no, a_type: M
      THR11   HA    A -   THR11 HG22    A    d: 2.51 +/- 0.32, weight: 1.0
      THR11   HA    A -   THR11 HG21    A
      THR11   HA    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1294, id: 398, d: 2.13, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ALA3   HA    A -    ALA3  HB2    A    d: 2.13 +/- 0.00, weight: 1.0
       ALA3   HA    A -    ALA3  HB1    A
       ALA3   HA    A -    ALA3  HB3    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1295, id: 399, d: 2.20, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO10  HD3    A -   PRO10  HG2    A    d: 2.50 +/- 0.22, weight: 0.5

      PRO10  HD3    A -   PRO10  HG3    A    d: 2.53 +/- 0.22, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1296, id: 400, d: 2.23, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO10  HD2    A -   PRO10  HG2    A    d: 2.67 +/- 0.34, weight: 0.5

      PRO10  HD2    A -   PRO10  HG3    A    d: 2.61 +/- 0.34, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1299, id: 403, d: 3.89, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      PRO10  HD3    A -   PRO10  HB2    A    d: 3.95 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1300, id: 404, d: 3.94, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD2    A -    PRO8  HB3    A    d: 3.94 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1303, id: 406, d: 2.22, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HD2    A -    PRO8  HG2    A    d: 2.62 +/- 0.35, weight: 0.5

       PRO8  HD2    A -    PRO8  HG3    A    d: 2.61 +/- 0.30, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1304, id: 407, d: 3.64, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HB2    A -    PRO8  HD3    A    d: 3.67 +/- 0.39, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1305, id: 408, d: 3.21, u: 4.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       PRO8  HB2    A -    PRO8  HD2    A    d: 3.18 +/- 0.38, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1309, id: 410, d: 5.10, u: 6.48, u_viol: 1.07, %_viol: 14.3, viol: no, reliable: no, a_type: M
      ARG25  HB2    A -   ARG23  HD3    A    d: 5.56 +/- 0.93, weight: 0.6

      ARG25  HB2    A -   ARG23  HD2    A    d: 5.78 +/- 1.09, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1310, id: 411, d: 1.97, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14  HD2    A -   ARG14  HB2    A    d: 3.31 +/- 0.49, weight: 0.1

      ARG14  HD3    A -   ARG14  HB2    A    d: 3.15 +/- 0.53, weight: 0.1

      ARG23  HD3    A -   ARG23  HB2    A    d: 3.09 +/- 0.41, weight: 0.1

      ARG23  HD2    A -   ARG23  HB2    A    d: 3.24 +/- 0.68, weight: 0.1

      ARG25  HD3    A -   ARG25  HB3    A    d: 3.22 +/- 0.50, weight: 0.1

      ARG25  HD2    A -   ARG25  HB3    A    d: 2.98 +/- 0.50, weight: 0.1

      ARG28  HD3    A -   ARG28  HB3    A    d: 3.37 +/- 0.48, weight: 0.1

      ARG28  HD2    A -   ARG28  HB3    A    d: 3.05 +/- 0.51, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1311, id: 412, d: 1.97, u: 4.35, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: A
      ARG25  HG3    A -   ARG25  HD3    A    d: 2.65 +/- 0.29, weight: 0.3

      ARG25  HG3    A -   ARG25  HD2    A    d: 2.64 +/- 0.28, weight: 0.3

      ARG14  HD2    A -   ARG14  HB3    A    d: 3.13 +/- 0.58, weight: 0.1

      ARG14  HD3    A -   ARG14  HB3    A    d: 3.14 +/- 0.50, weight: 0.1

      ARG23  HD3    A -   ARG23  HB3    A    d: 3.03 +/- 0.53, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1312, id: 413, d: 2.74, u: 4.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HD3    A -   ARG14  HB3    A    d: 3.14 +/- 0.50, weight: 0.5

      ARG14  HD2    A -   ARG14  HB3    A    d: 3.13 +/- 0.58, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1313, id: 414, d: 1.81, u: 3.68, u_viol: 0.00, %_viol: 2.9, viol: no, reliable: no, a_type: A
      ARG25  HG2    A -   ARG25  HD3    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG25  HG2    A -   ARG25  HD2    A    d: 2.74 +/- 0.29, weight: 0.1

      ARG25  HG3    A -   ARG25  HD3    A    d: 2.65 +/- 0.29, weight: 0.1

      ARG25  HG3    A -   ARG25  HD2    A    d: 2.64 +/- 0.28, weight: 0.1

      ARG28  HD2    A -   ARG28  HG3    A    d: 2.47 +/- 0.10, weight: 0.2

      ARG28  HD3    A -   ARG28  HG2    A    d: 2.44 +/- 0.03, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1314, id: 415, d: 2.29, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21  HD3    A -   ARG21  HB2    A    d: 3.04 +/- 0.41, weight: 0.2

      ARG21  HD2    A -   ARG21  HB2    A    d: 3.08 +/- 0.57, weight: 0.2

      ARG21  HD3    A -   ARG21  HB3    A    d: 2.91 +/- 0.49, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1319, id: 416, d: 2.31, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HD3    A -   ARG14  HG3    A    d: 2.71 +/- 0.29, weight: 0.4

      ARG14  HD2    A -   ARG14  HG3    A    d: 2.55 +/- 0.22, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1320, id: 417, d: 1.69, u: 3.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23  HD3    A -   ARG23  HG2    A    d: 2.71 +/- 0.29, weight: 0.1

      ARG23  HD2    A -   ARG23  HG2    A    d: 2.62 +/- 0.27, weight: 0.1

      ARG25  HG2    A -   ARG25  HD3    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG28  HD3    A -   ARG28  HG2    A    d: 2.44 +/- 0.03, weight: 0.1

      ARG30  HG2    A -   ARG30  HD3    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG30  HG2    A -   ARG30  HD2    A    d: 2.71 +/- 0.30, weight: 0.1

      ARG30  HG3    A -   ARG30  HD3    A    d: 2.69 +/- 0.29, weight: 0.1

      ARG30  HG3    A -   ARG30  HD2    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG23  HD2    A -   ARG23  HG3    A    d: 2.59 +/- 0.24, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1321, id: 418, d: 2.28, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HD3    A -   ARG14  HG2    A    d: 2.61 +/- 0.27, weight: 0.6

      ARG14  HD2    A -   ARG14  HG2    A    d: 2.71 +/- 0.29, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1324, id: 419, d: 1.90, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL24 HG22    A -   VAL24   HB    A    d: 2.13 +/- 0.00, weight: 0.5
      VAL24 HG21    A -   VAL24   HB    A
      VAL24 HG23    A -   VAL24   HB    A

      VAL24 HG13    A -   VAL24   HB    A    d: 2.13 +/- 0.00, weight: 0.5
      VAL24 HG12    A -   VAL24   HB    A
      VAL24 HG11    A -   VAL24   HB    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1327, id: 420, d: 2.13, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HG22    A -   ILE16   HB    A    d: 2.13 +/- 0.00, weight: 1.0
      ILE16 HG21    A -   ILE16   HB    A
      ILE16 HG23    A -   ILE16   HB    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1331, id: 422, d: 2.13, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HG23    A -    ILE4   HB    A    d: 2.13 +/- 0.00, weight: 1.0
       ILE4 HG22    A -    ILE4   HB    A
       ILE4 HG21    A -    ILE4   HB    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1335, id: 425, d: 2.12, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HD12    A -   ILE29 HG12    A    d: 2.12 +/- 0.00, weight: 1.0
      ILE29 HD11    A -   ILE29 HG12    A
      ILE29 HD13    A -   ILE29 HG12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1336, id: 426, d: 2.79, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HG21    A -   ILE29 HG12    A    d: 3.09 +/- 0.31, weight: 0.6
      ILE29 HG22    A -   ILE29 HG12    A
      ILE29 HG23    A -   ILE29 HG12    A

      ILE16 HG22    A -   ILE16 HG12    A    d: 3.21 +/- 0.00, weight: 0.4
      ILE16 HG21    A -   ILE16 HG12    A
      ILE16 HG23    A -   ILE16 HG12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1337, id: 427, d: 2.12, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HD12    A -   ILE16 HG12    A    d: 2.12 +/- 0.00, weight: 1.0
      ILE16 HD13    A -   ILE16 HG12    A
      ILE16 HD11    A -   ILE16 HG12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1338, id: 428, d: 2.12, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HD11    A -    ILE4 HG12    A    d: 2.12 +/- 0.00, weight: 1.0
       ILE4 HD13    A -    ILE4 HG12    A
       ILE4 HD12    A -    ILE4 HG12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1339, id: 429, d: 2.87, u: 5.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HG23    A -    ILE4 HG13    A    d: 2.69 +/- 0.45, weight: 1.0
       ILE4 HG22    A -    ILE4 HG13    A
       ILE4 HG21    A -    ILE4 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1340, id: 430, d: 2.19, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HG23    A -    ILE4 HD11    A    d: 2.50 +/- 0.63, weight: 1.0
       ILE4 HG23    A -    ILE4 HD13    A
       ILE4 HG23    A -    ILE4 HD12    A
       ILE4 HG22    A -    ILE4 HD11    A
       ILE4 HG22    A -    ILE4 HD13    A
       ILE4 HG22    A -    ILE4 HD12    A
       ILE4 HG21    A -    ILE4 HD11    A
       ILE4 HG21    A -    ILE4 HD13    A
       ILE4 HG21    A -    ILE4 HD12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1341, id: 431, d: 2.13, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HG21    A -   ILE29 HG13    A    d: 2.38 +/- 0.02, weight: 0.5
      ILE29 HG22    A -   ILE29 HG13    A
      ILE29 HG23    A -   ILE29 HG13    A

      ILE16 HG22    A -   ILE16 HG13    A    d: 2.40 +/- 0.02, weight: 0.5
      ILE16 HG21    A -   ILE16 HG13    A
      ILE16 HG23    A -   ILE16 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1342, id: 432, d: 2.12, u: 2.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HD12    A -   ILE29 HG13    A    d: 2.12 +/- 0.00, weight: 1.0
      ILE29 HD11    A -   ILE29 HG13    A
      ILE29 HD13    A -   ILE29 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1343, id: 433, d: 2.12, u: 3.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HD12    A -   ILE16 HG13    A    d: 2.12 +/- 0.00, weight: 1.0
      ILE16 HD13    A -   ILE16 HG13    A
      ILE16 HD11    A -   ILE16 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1344, id: 434, d: 2.12, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HD11    A -    ILE4 HG13    A    d: 2.12 +/- 0.00, weight: 1.0
       ILE4 HD13    A -    ILE4 HG13    A
       ILE4 HD12    A -    ILE4 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1351, id: 441, d: 2.30, u: 2.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15  HB3    A -   GLN15  HG2    A    d: 2.72 +/- 0.30, weight: 0.4

      GLN15  HB3    A -   GLN15  HG3    A    d: 2.54 +/- 0.22, weight: 0.6

ref_spec: NOESY_0.3s_2019, ref_peak: 1352, id: 442, d: 2.30, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      GLN15  HB2    A -   GLN15  HG3    A    d: 2.92 +/- 0.21, weight: 0.3

      GLN15  HB2    A -   GLN15  HG2    A    d: 2.43 +/- 0.04, weight: 0.7

ref_spec: NOESY_0.3s_2019, ref_peak: 1359, id: 449, d: 2.13, u: 2.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG28  HG3    A -   ARG28  HB2    A    d: 2.59 +/- 0.25, weight: 0.4

      ARG25  HG2    A -   ARG25  HB2    A    d: 2.66 +/- 0.31, weight: 0.3

      ARG25  HG3    A -   ARG25  HB2    A    d: 2.68 +/- 0.27, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1360, id: 450, d: 1.97, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25  HG2    A -   ARG25  HB2    A    d: 2.66 +/- 0.31, weight: 0.2

      ARG28  HG3    A -   ARG28  HB2    A    d: 2.59 +/- 0.25, weight: 0.2

      ARG28  HB2    A -   ARG28  HG2    A    d: 2.69 +/- 0.28, weight: 0.2

      ARG30  HB2    A -   ARG30  HG3    A    d: 2.73 +/- 0.27, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1361, id: 451, d: 1.92, u: 2.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25  HG2    A -   ARG25  HB2    A    d: 2.66 +/- 0.31, weight: 0.2

      ARG25  HG3    A -   ARG25  HB2    A    d: 2.68 +/- 0.27, weight: 0.2

      ARG28  HG3    A -   ARG28  HB2    A    d: 2.59 +/- 0.25, weight: 0.2

      ARG28  HB2    A -   ARG28  HG2    A    d: 2.69 +/- 0.28, weight: 0.2

      ARG30  HB2    A -   ARG30  HG3    A    d: 2.73 +/- 0.27, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1362, id: 452, d: 2.07, u: 2.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21  HG3    A -   ARG21  HB3    A    d: 2.67 +/- 0.28, weight: 0.3

      ARG21  HG3    A -   ARG21  HB2    A    d: 2.73 +/- 0.29, weight: 0.2

      ARG21  HG2    A -   ARG21  HB3    A    d: 2.75 +/- 0.29, weight: 0.2

      ARG21  HG2    A -   ARG21  HB2    A    d: 2.70 +/- 0.28, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1363, id: 453, d: 2.43, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HG3    A -   ARG14  HB3    A    d: 2.43 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1365, id: 455, d: 1.84, u: 2.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG30  HG3    A -   ARG30  HB3    A    d: 2.54 +/- 0.24, weight: 0.2

      ARG23  HG2    A -   ARG23  HB3    A    d: 2.42 +/- 0.06, weight: 0.2

      ARG25  HG2    A -   ARG25  HB3    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG28  HG3    A -   ARG28  HB3    A    d: 2.64 +/- 0.29, weight: 0.1

      ARG28  HG2    A -   ARG28  HB3    A    d: 2.65 +/- 0.28, weight: 0.1

      ARG30  HG2    A -   ARG30  HB3    A    d: 2.61 +/- 0.28, weight: 0.1

ref_spec: NOESY_0.3s_2019, ref_peak: 1366, id: 456, d: 1.85, u: 2.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23  HG3    A -   ARG23  HB2    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG25  HG2    A -   ARG25  HB3    A    d: 2.61 +/- 0.26, weight: 0.1

      ARG28  HG3    A -   ARG28  HB3    A    d: 2.64 +/- 0.29, weight: 0.1

      ARG28  HG2    A -   ARG28  HB3    A    d: 2.65 +/- 0.28, weight: 0.1

      ARG30  HG2    A -   ARG30  HB3    A    d: 2.61 +/- 0.28, weight: 0.1

      ARG30  HG3    A -   ARG30  HB3    A    d: 2.54 +/- 0.24, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1367, id: 457, d: 1.46, u: 1.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG25  HB2    A -   ARG25  HB3    A    d: 1.76 +/- 0.00, weight: 0.3

      ARG28  HB2    A -   ARG28  HB3    A    d: 1.76 +/- 0.00, weight: 0.3

      ARG30  HB2    A -   ARG30  HB3    A    d: 1.76 +/- 0.00, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1369, id: 459, d: 1.55, u: 1.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG14  HB3    A -   ARG14  HB2    A    d: 1.76 +/- 0.00, weight: 0.5

      ARG23  HB3    A -   ARG23  HB2    A    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1370, id: 460, d: 2.31, u: 2.18, u_viol: 0.15, %_viol: 80.0, viol: yes, reliable: no, a_type: M
      ARG30  HG2    A -   ARG30  HB3    A    d: 2.61 +/- 0.28, weight: 0.5

      ARG30  HG3    A -   ARG30  HB3    A    d: 2.54 +/- 0.24, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1371, id: 461, d: 1.76, u: 2.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG14  HB3    A -   ARG14  HB2    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1372, id: 462, d: 1.57, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HG13    A -   ILE29 HG12    A    d: 1.76 +/- 0.00, weight: 0.5

      ILE16 HG13    A -   ILE16 HG12    A    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1374, id: 464, d: 1.76, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HG13    A -   ILE16 HG12    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1376, id: 466, d: 1.89, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29 HD12    A -   ILE29 HG13    A    d: 2.12 +/- 0.00, weight: 0.5
      ILE29 HD11    A -   ILE29 HG13    A
      ILE29 HD13    A -   ILE29 HG13    A

      ILE16 HD12    A -   ILE16 HG13    A    d: 2.12 +/- 0.00, weight: 0.5
      ILE16 HD13    A -   ILE16 HG13    A
      ILE16 HD11    A -   ILE16 HG13    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1379, id: 469, d: 1.76, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HG13    A -    ILE4 HG12    A    d: 1.76 +/- 0.00, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1382, id: 470, d: 3.21, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HG22    A -   ILE16 HG12    A    d: 3.21 +/- 0.00, weight: 1.0
      ILE16 HG21    A -   ILE16 HG12    A
      ILE16 HG23    A -   ILE16 HG12    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1384, id: 471, d: 2.13, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29   HB    A -   ILE29 HG21    A    d: 2.13 +/- 0.00, weight: 1.0
      ILE29   HB    A -   ILE29 HG22    A
      ILE29   HB    A -   ILE29 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1386, id: 473, d: 2.82, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HD12    A -   ILE16   HB    A    d: 2.68 +/- 0.36, weight: 1.0
      ILE16 HD13    A -   ILE16   HB    A
      ILE16 HD11    A -   ILE16   HB    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1409, id: 479, d: 2.03, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG21  HD2    A -   ARG21  HG2    A    d: 2.69 +/- 0.29, weight: 0.2

      ARG21  HD3    A -   ARG21  HG3    A    d: 2.76 +/- 0.29, weight: 0.2

      ARG21  HD2    A -   ARG21  HG3    A    d: 2.57 +/- 0.25, weight: 0.3

      ARG21  HD3    A -   ARG21  HG2    A    d: 2.63 +/- 0.27, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1412, id: 480, d: 4.05, u: 4.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      VAL24   HA    A -   ARG23   HA    A    d: 4.36 +/- 0.03, weight: 0.6

      VAL24   HA    A -   ARG25   HA    A    d: 4.78 +/- 0.06, weight: 0.4

ref_spec: NOESY_0.3s_2019, ref_peak: 1418, id: 481, d: 3.80, u: 5.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY2    H    A -    ASN1  HB2    A    d: 3.90 +/- 0.39, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1419, id: 482, d: 4.18, u: 6.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       GLY2    H    A -    ASN1  HB3    A    d: 4.18 +/- 0.24, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1425, id: 483, d: 4.16, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ALA12    H    A -   PRO10  HB3    A    d: 4.16 +/- 0.50, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1427, id: 485, d: 3.52, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS19    H    A -   ASN18  HB3    A    d: 3.48 +/- 0.43, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1429, id: 486, d: 2.36, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      CYS26    H    A -   CYS26  HB2    A    d: 2.70 +/- 0.38, weight: 0.6

      CYS26    H    A -   CYS26  HB3    A    d: 3.04 +/- 0.51, weight: 0.3

ref_spec: NOESY_0.3s_2019, ref_peak: 1435, id: 488, d: 2.81, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE29    H    A -   ILE29   HA    A    d: 2.83 +/- 0.21, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1437, id: 490, d: 2.05, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG23   HE    A -   ARG23  HD3    A    d: 2.78 +/- 0.08, weight: 0.2

      ARG23   HE    A -   ARG23  HD2    A    d: 2.80 +/- 0.08, weight: 0.2

      ARG25   HE    A -   ARG25  HD3    A    d: 2.78 +/- 0.10, weight: 0.2

      ARG25   HE    A -   ARG25  HD2    A    d: 2.79 +/- 0.10, weight: 0.2

      ARG30   HE    A -   ARG30  HD2    A    d: 2.77 +/- 0.12, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 1440, id: 491, d: 2.70, u: 4.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ARG30   HA    A -   ARG30    H    A    d: 2.67 +/- 0.29, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1464, id: 504, d: 2.47, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
      ILE16 HG12    A -   ILE16   HB    A    d: 2.46 +/- 0.01, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1465, id: 505, d: 2.65, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: M
       ILE4 HG13    A -    ILE4   HB    A    d: 2.63 +/- 0.22, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1466, id: 506, d: 2.20, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE16 HG12    A -   ILE16   HB    A    d: 2.46 +/- 0.01, weight: 0.5

      ILE29   HB    A -   ILE29 HG12    A    d: 2.49 +/- 0.02, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1468, id: 507, d: 2.47, u: 4.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE29   HB    A -   ILE29 HG13    A    d: 2.95 +/- 0.20, weight: 0.5

      ILE16   HB    A -   ILE16 HG13    A    d: 2.87 +/- 0.26, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1469, id: 508, d: 3.83, u: 6.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TRP6  HB3    A -    GLY7    H    A    d: 3.92 +/- 0.50, weight: 1.0

ref_spec: NOESY_0.5s_2019, ref_peak: 13, id: 724, d: 4.24, u: 3.57, u_viol: 0.73, %_viol: 97.1, viol: yes, reliable: no, a_type: A
      ILE16   HA    A -   GLY17  HA3    A    d: 4.88 +/- 0.30, weight: 0.5

      ILE16   HA    A -   GLY17  HA2    A    d: 5.00 +/- 0.32, weight: 0.4

ref_spec: NOESY_0.5s_2019, ref_peak: 38, id: 745, d: 12.10, u: 3.68, u_viol: 8.42, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       GLY2    H    A -    CYS9    H    A    d: 12.99 +/- 2.25, weight: 0.9

ref_spec: NOESY_0.5s_2019, ref_peak: 40, id: 746, d: 11.99, u: 3.71, u_viol: 8.28, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       GLY2    H    A -    CYS9    H    A    d: 12.99 +/- 2.25, weight: 0.9

ref_spec: NOESY_0.5s_2019, ref_peak: 47, id: 752, d: 4.18, u: 3.66, u_viol: 0.52, %_viol: 97.1, viol: yes, reliable: no, a_type: A
      ILE16    H    A -   ARG14    H    A    d: 4.31 +/- 0.27, weight: 0.8

      ILE16    H    A -   PHE13    H    A    d: 5.44 +/- 0.43, weight: 0.2

ref_spec: NOESY_0.5s_2019, ref_peak: 48, id: 753, d: 9.85, u: 3.49, u_viol: 6.36, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG23    H    A -   ARG30    H    A    d: 12.37 +/- 1.35, weight: 0.3

      VAL24    H    A -   ARG30    H    A    d: 10.92 +/- 1.47, weight: 0.6

ref_spec: NOESY_0.5s_2019, ref_peak: 52, id: 757, d: 15.80, u: 2.99, u_viol: 12.82, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG14    H    A -   ARG30    H    A    d: 25.26 +/- 4.90, weight: 0.1

      ARG21    H    A -   ARG30    H    A    d: 17.51 +/- 1.55, weight: 0.8

ref_spec: NOESY_0.5s_2019_D, ref_peak: 7, id: 655, d: 6.23, u: 4.00, u_viol: 2.23, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       ASN1   HA    A -    CYS5   HA    A    d: 8.64 +/- 1.84, weight: 0.2

       PRO8   HA    A -   PRO10   HA    A    d: 7.03 +/- 0.43, weight: 0.6

ref_spec: NOESY_0.5s_2019_D, ref_peak: 9, id: 657, d: 7.07, u: 3.87, u_viol: 3.20, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       ALA3   HA    A -    ASN1   HA    A    d: 7.08 +/- 0.55, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 10, id: 658, d: 6.88, u: 4.68, u_viol: 2.20, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 0.9

ref_spec: NOESY_0.5s_2019_D, ref_peak: 11, id: 659, d: 6.85, u: 4.67, u_viol: 2.18, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 0.9

ref_spec: NOESY_0.5s_2019_D, ref_peak: 12, id: 660, d: 7.01, u: 4.55, u_viol: 2.46, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 17, id: 664, d: 12.09, u: 4.30, u_viol: 7.79, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      GLY17  HA2    A -   PRO10  HD3    A    d: 12.68 +/- 2.01, weight: 0.5

      GLY17  HA3    A -   PRO10  HD3    A    d: 12.97 +/- 1.91, weight: 0.4

ref_spec: NOESY_0.5s_2019_D, ref_peak: 32, id: 669, d: 12.83, u: 2.70, u_viol: 10.14, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       CYS9  HB2    A -    ASN1  HB3    A    d: 16.46 +/- 3.92, weight: 0.5

       CYS9  HB3    A -    ASN1  HB3    A    d: 16.31 +/- 4.02, weight: 0.5

ref_spec: NOESY_0.5s_2019_D, ref_peak: 54, id: 684, d: 9.27, u: 3.71, u_viol: 5.56, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10  HB2    A -    PRO8  HB3    A    d: 9.34 +/- 0.73, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 59, id: 685, d: 6.01, u: 4.13, u_viol: 1.87, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      GLN15  HB3    A -   ILE16   HB    A    d: 5.83 +/- 0.67, weight: 1.0

ref_spec: NOESY_0.5s_2019_D, ref_peak: 60, id: 686, d: 4.92, u: 4.02, u_viol: 0.94, %_viol: 91.4, viol: yes, reliable: no, a_type: A
      VAL24   HB    A -   ARG25  HB2    A    d: 6.28 +/- 0.96, weight: 0.3

      GLN15  HB3    A -   ILE16   HB    A    d: 5.83 +/- 0.67, weight: 0.5

ref_spec: NOESY_0.5s_2019_D, ref_peak: 74, id: 692, d: 6.97, u: 3.88, u_viol: 3.08, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG21   HA    A -   ARG23   HA    A    d: 6.99 +/- 0.40, weight: 0.9

ref_spec: NOESY_0.5s_2019_D, ref_peak: 76, id: 693, d: 9.05, u: 5.22, u_viol: 3.82, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS26   HA    A -   PHE22   HA    A    d: 9.77 +/- 0.94, weight: 0.6

      CYS27   HA    A -   PHE22   HA    A    d: 10.51 +/- 1.23, weight: 0.4

ref_spec: NOESY_0.5s_2019_D, ref_peak: 80, id: 696, d: 4.00, u: 3.96, u_viol: 0.17, %_viol: 62.9, viol: yes, reliable: no, a_type: A
      PHE22  HE2    A -   PHE22  HB2    A    d: 4.42 +/- 0.02, weight: 0.7
      PHE22  HE1    A -   PHE22  HB2    A

      PHE22   HZ    A -   PHE22  HB2    A    d: 5.78 +/- 0.00, weight: 0.1

ref_spec: NOESY_0.5s_2019_D, ref_peak: 88, id: 704, d: 3.76, u: 3.62, u_viol: 0.15, %_viol: 82.9, viol: yes, reliable: no, a_type: A
       TRP6  HD1    A -    TRP6  HB3    A    d: 3.80 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 110, id: 577, d: 4.55, u: 4.33, u_viol: 0.22, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS27   HA    A -   ARG28   HA    A    d: 4.65 +/- 0.08, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 114, id: 579, d: 6.38, u: 5.35, u_viol: 1.03, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      GLN15   HA    A -   PHE13   HA    A    d: 6.31 +/- 0.21, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 115, id: 580, d: 6.11, u: 4.63, u_viol: 1.58, %_viol: 97.1, viol: yes, reliable: no, a_type: A
       ALA3   HA    A -    CYS5   HA    A    d: 6.74 +/- 0.51, weight: 0.8

      ARG23   HA    A -   CYS19   HA    A    d: 9.75 +/- 1.30, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 140, id: 588, d: 12.09, u: 3.74, u_viol: 8.35, %_viol: 100.0, viol: yes, reliable: no, a_type: A
       ALA3   HA    A -    PRO8   HA    A    d: 12.90 +/- 2.77, weight: 0.8

ref_spec: NOESY_0.3s_2019_D, ref_peak: 141, id: 589, d: 6.87, u: 4.68, u_viol: 2.19, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 142, id: 590, d: 6.88, u: 5.58, u_viol: 1.30, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 143, id: 591, d: 6.85, u: 5.48, u_viol: 1.37, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 144, id: 592, d: 7.00, u: 4.46, u_viol: 2.54, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10   HA    A -   PHE13   HA    A    d: 6.77 +/- 0.55, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 151, id: 595, d: 16.67, u: 4.66, u_viol: 12.01, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10  HD3    A -   GLY20  HA2    A    d: 18.14 +/- 2.84, weight: 0.5

      PRO10  HD3    A -   GLY20  HA3    A    d: 17.95 +/- 3.14, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 152, id: 596, d: 12.09, u: 3.38, u_viol: 8.71, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      GLY17  HA2    A -   PRO10  HD3    A    d: 12.68 +/- 2.01, weight: 0.5

      GLY17  HA3    A -   PRO10  HD3    A    d: 12.97 +/- 1.91, weight: 0.4

ref_spec: NOESY_0.3s_2019_D, ref_peak: 167, id: 600, d: 4.89, u: 2.78, u_viol: 2.11, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ASN18  HB2    A -   CYS19  HB2    A    d: 5.56 +/- 1.24, weight: 0.5

      ASN18  HB2    A -   CYS19  HB3    A    d: 5.47 +/- 1.02, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 168, id: 601, d: 4.95, u: 2.65, u_viol: 2.31, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ASN18  HB2    A -   CYS19  HB2    A    d: 5.56 +/- 1.24, weight: 0.5

      ASN18  HB2    A -   CYS19  HB3    A    d: 5.47 +/- 1.02, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 169, id: 602, d: 4.94, u: 2.67, u_viol: 2.27, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ASN18  HB2    A -   CYS19  HB2    A    d: 5.56 +/- 1.24, weight: 0.5

      ASN18  HB2    A -   CYS19  HB3    A    d: 5.47 +/- 1.02, weight: 0.5

ref_spec: NOESY_0.3s_2019_D, ref_peak: 170, id: 603, d: 7.87, u: 3.05, u_viol: 5.14, %_viol: 94.3, viol: yes, reliable: no, a_type: A
       ASN1  HB3    A -    CYS5  HB3    A    d: 10.78 +/- 1.93, weight: 0.2

       ASN1  HB3    A -    CYS5  HB2    A    d: 10.76 +/- 2.00, weight: 0.2

       CYS9  HB3    A -    CYS5  HB3    A    d: 11.25 +/- 2.51, weight: 0.2

       CYS9  HB3    A -    CYS5  HB2    A    d: 11.28 +/- 2.36, weight: 0.2

       CYS9  HB2    A -    CYS5  HB3    A    d: 11.37 +/- 2.74, weight: 0.1

ref_spec: NOESY_0.3s_2019_D, ref_peak: 193, id: 618, d: 16.83, u: 3.83, u_viol: 13.00, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      GLN15  HB3    A -    PRO8  HB3    A    d: 17.33 +/- 1.24, weight: 0.9

ref_spec: NOESY_0.3s_2019_D, ref_peak: 198, id: 619, d: 9.27, u: 3.40, u_viol: 5.86, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      PRO10  HB2    A -    PRO8  HB3    A    d: 9.34 +/- 0.73, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 202, id: 620, d: 6.01, u: 3.76, u_viol: 2.25, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      GLN15  HB3    A -   ILE16   HB    A    d: 5.83 +/- 0.67, weight: 1.0

ref_spec: NOESY_0.3s_2019_D, ref_peak: 212, id: 625, d: 15.99, u: 3.79, u_viol: 12.20, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ILE16 HD12    A -    ILE4 HG13    A    d: 14.06 +/- 3.88, weight: 1.0
      ILE16 HD13    A -    ILE4 HG13    A
      ILE16 HD11    A -    ILE4 HG13    A

ref_spec: NOESY_0.3s_2019_D, ref_peak: 215, id: 627, d: 12.03, u: 3.83, u_viol: 8.20, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG21   HA    A -   ARG25   HA    A    d: 13.15 +/- 0.61, weight: 0.7

      ARG21   HA    A -   ARG28   HA    A    d: 16.57 +/- 0.94, weight: 0.2

ref_spec: NOESY_0.3s_2019_D, ref_peak: 216, id: 628, d: 7.91, u: 4.29, u_viol: 3.62, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS27   HA    A -   PHE22   HA    A    d: 10.51 +/- 1.23, weight: 0.2

      CYS19   HA    A -   PHE22   HA    A    d: 9.19 +/- 1.12, weight: 0.5

      CYS26   HA    A -   PHE22   HA    A    d: 9.77 +/- 0.94, weight: 0.3

ref_spec: NOESY_0.3s_2019_D, ref_peak: 221, id: 629, d: 7.96, u: 4.76, u_viol: 3.20, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS19   HA    A -   PHE22   HA    A    d: 9.19 +/- 1.12, weight: 0.5

      CYS26   HA    A -   PHE22   HA    A    d: 9.77 +/- 0.94, weight: 0.3

      CYS27   HA    A -   PHE22   HA    A    d: 10.51 +/- 1.23, weight: 0.2

ref_spec: NOESY_0.3s_2019, ref_peak: 789, id: 2, d: 3.36, u: 2.69, u_viol: 0.66, %_viol: 100.0, viol: yes, reliable: no, a_type: M
       ILE4    H    A -    ALA3   HA    A    d: 3.41 +/- 0.14, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 791, id: 4, d: 3.33, u: 2.96, u_viol: 0.37, %_viol: 100.0, viol: yes, reliable: no, a_type: M
       TRP6    H    A -    CYS5   HA    A    d: 3.27 +/- 0.18, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 794, id: 7, d: 3.43, u: 2.73, u_viol: 0.70, %_viol: 100.0, viol: yes, reliable: no, a_type: M
       CYS9    H    A -    PRO8   HA    A    d: 3.43 +/- 0.07, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 798, id: 11, d: 3.46, u: 2.51, u_viol: 0.95, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ALA12    H    A -   THR11   HA    A    d: 3.46 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 799, id: 12, d: 3.42, u: 2.79, u_viol: 0.63, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE13    H    A -   ALA12   HA    A    d: 3.41 +/- 0.12, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 805, id: 18, d: 3.47, u: 2.72, u_viol: 0.74, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ARG14    H    A -   PHE13   HA    A    d: 3.45 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 806, id: 19, d: 3.27, u: 2.60, u_viol: 0.67, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      GLN15    H    A -   ARG14   HA    A    d: 3.32 +/- 0.12, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 807, id: 20, d: 3.42, u: 2.69, u_viol: 0.73, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ILE16    H    A -   GLN15   HA    A    d: 3.47 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 817, id: 30, d: 3.42, u: 2.60, u_viol: 0.81, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22    H    A -   ARG21   HA    A    d: 3.45 +/- 0.10, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 821, id: 34, d: 6.65, u: 3.32, u_viol: 3.43, %_viol: 97.1, viol: yes, reliable: no, a_type: M
      PHE22  HD2    A -   ARG23  HD3    A    d: 6.64 +/- 1.45, weight: 1.0
      PHE22  HD1    A -   ARG23  HD3    A

ref_spec: NOESY_0.3s_2019, ref_peak: 823, id: 36, d: 2.92, u: 2.56, u_viol: 0.36, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22    H    A -   PHE22   HA    A    d: 2.93 +/- 0.02, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 826, id: 39, d: 3.47, u: 2.55, u_viol: 0.92, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      CYS26    H    A -   ARG25   HA    A    d: 3.47 +/- 0.06, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 827, id: 40, d: 3.36, u: 2.82, u_viol: 0.54, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ARG28    H    A -   CYS27   HA    A    d: 3.31 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 828, id: 41, d: 3.41, u: 2.59, u_viol: 0.83, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      CYS27    H    A -   CYS26   HA    A    d: 3.46 +/- 0.08, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 829, id: 42, d: 3.48, u: 3.15, u_viol: 0.33, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ILE29    H    A -   ARG28   HA    A    d: 3.49 +/- 0.09, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1003, id: 175, d: 2.18, u: 1.84, u_viol: 0.34, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22  HD2    A -   PHE22  HE2    A    d: 2.18 +/- 0.00, weight: 1.0
      PHE22  HD2    A -   PHE22  HE1    A
      PHE22  HD1    A -   PHE22  HE2    A
      PHE22  HD1    A -   PHE22  HE1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1005, id: 177, d: 1.94, u: 1.72, u_viol: 0.23, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22  HD2    A -   PHE22  HE2    A    d: 2.18 +/- 0.00, weight: 0.5
      PHE22  HD2    A -   PHE22  HE1    A
      PHE22  HD1    A -   PHE22  HE2    A
      PHE22  HD1    A -   PHE22  HE1    A

      PHE13  HD2    A -   PHE13  HE2    A    d: 2.18 +/- 0.00, weight: 0.5
      PHE13  HD2    A -   PHE13  HE1    A
      PHE13  HD1    A -   PHE13  HE2    A
      PHE13  HD1    A -   PHE13  HE1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1007, id: 178, d: 3.80, u: 2.50, u_viol: 1.29, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22   HZ    A -   PHE22  HD2    A    d: 3.80 +/- 0.00, weight: 1.0
      PHE22   HZ    A -   PHE22  HD1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1011, id: 182, d: 1.96, u: 1.62, u_viol: 0.34, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      PHE22   HZ    A -   PHE22  HE2    A    d: 2.19 +/- 0.00, weight: 0.5
      PHE22   HZ    A -   PHE22  HE1    A

      PHE13   HZ    A -   PHE13  HE2    A    d: 2.19 +/- 0.00, weight: 0.5
      PHE13   HZ    A -   PHE13  HE1    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1074, id: 230, d: 3.06, u: 2.55, u_viol: 0.51, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ALA12    H    A -   THR11   HA    A    d: 3.46 +/- 0.09, weight: 0.5

      PHE22    H    A -   ARG21   HA    A    d: 3.45 +/- 0.10, weight: 0.5

ref_spec: NOESY_0.3s_2019, ref_peak: 1085, id: 241, d: 3.38, u: 2.43, u_viol: 0.95, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ARG25    H    A -   VAL24   HA    A    d: 3.31 +/- 0.17, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1086, id: 242, d: 3.51, u: 2.62, u_viol: 0.89, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      GLY17    H    A -   ILE16   HA    A    d: 3.50 +/- 0.05, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1185, id: 313, d: 20.90, u: 4.32, u_viol: 16.58, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ARG30  HD3    A -   THR11 HG22    A    d: 23.92 +/- 6.26, weight: 0.5
      ARG30  HD3    A -   THR11 HG21    A
      ARG30  HD3    A -   THR11 HG23    A

      ARG30  HD2    A -   THR11 HG22    A    d: 24.09 +/- 6.28, weight: 0.5
      ARG30  HD2    A -   THR11 HG21    A
      ARG30  HD2    A -   THR11 HG23    A

ref_spec: NOESY_0.3s_2019, ref_peak: 1277, id: 382, d: 5.24, u: 3.88, u_viol: 1.35, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      ILE29   HB    A -   ARG30   HA    A    d: 5.37 +/- 0.71, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1426, id: 484, d: 5.29, u: 4.64, u_viol: 0.65, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      CYS26    H    A -   VAL24   HB    A    d: 5.44 +/- 0.49, weight: 1.0

ref_spec: NOESY_0.3s_2019, ref_peak: 1447, id: 496, d: 8.85, u: 4.32, u_viol: 4.52, %_viol: 100.0, viol: yes, reliable: no, a_type: M
      CYS19  HB2    A -   PHE22   HA    A    d: 9.87 +/- 1.35, weight: 0.5

      CYS19  HB3    A -   PHE22   HA    A    d: 9.92 +/- 1.23, weight: 0.5

# Restraints file 2: noe_restraints.unambig

# List of unambiguous distance restraints.
#
# Created by Aria 2.0a, Fri Feb 28 09:43:31 2020
#
# Author:  
# Date:    Fri Feb 28 05:40:17 2020
# Project: ARIA_P9R_redo
# Run:     12
# Path:    /NMR/P9R_redo/run12
#
# Restraints used during calculation: 218
# Violated: 4
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# active:   yes(no): restraint has (not) been used in the calculation. A restraint is inactive
#           either if it was violated in the last iteration or if it has been merged with
#           another restraint.
                       
# d:        Restaint distance [A], after calibration.
# upper:    Upper bound [A]
# lower:    Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg:    Average distance [A] found in structure ensemble.
# l_viol:   Average lower-bound violation [A].
# u_viol:   Average upper-bound violation [A].
# %_viol:   Percentage of structures in which a restraint was violated.
# viol:     'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
#           will not be used in the subsequent iteration.
#
# 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.
#
# sep:      sequence separation s: I:      s == 0  (intra-residual)
#                                  Q:      s == 1  (sequential)        
#                                  S: 2 <= s <= 3  (short)
#                                  M: 4 <= s <= 5  (medium)
#                                  L:      s >  5  (long)
#                                  i: inter-monomer
# 
# All statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n-lowest energy structures etc). See also  section in project-xml file.
#
       # ref_spec  ref_no   id  active     d  lower  upper  d_avg  l_viol  u_viol  %_viol  viol  a_type  sep  


  NOESY_0.5s_2019      11  722     yes  2.67   1.78   3.56   2.59    0.00    0.00     0.0    no       A    I  
  NOESY_0.5s_2019      12  723     yes  2.89   1.85   3.93   2.79    0.00    0.00     0.0    no       A    I  
  NOESY_0.5s_2019      17  727     yes  3.18   1.92   4.45   4.34    0.00    0.00     0.0    no       M    Q  
  NOESY_0.5s_2019      21  729     yes  2.47   1.71   3.23   3.04    0.00    0.78    34.3    no       A    Q  
  NOESY_0.5s_2019      22  730     yes  2.30   1.64   2.96   2.68    0.00    0.52    17.1    no       A    Q  
  NOESY_0.5s_2019      23  731     yes  2.36   1.66   3.06   2.21    0.00    0.00     0.0    no       A    Q  
  NOESY_0.5s_2019      28  736     yes  2.48   1.71   3.25   2.45    0.00    0.00     0.0    no       A    Q  
  NOESY_0.5s_2019      30  738     yes  2.84   1.83   3.85   4.00    0.00    0.40    48.6    no       A    S  
  NOESY_0.5s_2019      31  739     yes  2.36   1.66   3.05   2.41    0.00    0.00     0.0    no       A    Q  
  NOESY_0.5s_2019      44  749     yes  2.39   1.68   3.10   2.41    0.00    0.00     0.0    no       A    Q  
NOESY_0.5s_2019_D       1  651     yes  2.10   1.55   2.65   2.53    0.00    0.20     8.6    no       A    I  
NOESY_0.5s_2019_D       3  653     yes  2.29   1.63   2.94   2.98    0.00    0.07     0.0    no       A    I  
NOESY_0.5s_2019_D      44  679     yes  2.11   1.55   2.67   1.77    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      46  680     yes  1.95   1.48   2.43   1.71    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      77  694     yes  2.75   1.80   3.69   2.57    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      79  695     yes  3.07   1.89   4.26   4.08    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      85  701     yes  2.27   1.63   2.91   2.29    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      86  702     yes  2.28   1.63   2.92   2.47    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      87  703     yes  2.19   1.59   2.78   2.32    0.00    0.00     0.0    no       A    I  
NOESY_0.5s_2019_D      93  709     yes  3.54   1.97   5.11   4.65    0.00    0.11    17.1    no       A    Q  
NOESY_0.3s_2019_D       1  510     yes  3.92   2.00   5.84   5.09    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D       2  511     yes  3.88   2.00   5.76   4.41    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D       3  512     yes  2.70   1.79   3.61   2.70    0.00    0.12     2.9    no       A    I  
NOESY_0.3s_2019_D       4  513     yes  2.59   1.75   3.43   3.37    0.00    0.27    68.6   yes       A    I  
NOESY_0.3s_2019_D       5  514     yes  3.43   1.96   4.89   3.16    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      10  519     yes  2.73   1.80   3.66   2.72    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      12  521     yes  2.39   1.67   3.10   2.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      18  524     yes  2.25   1.62   2.88   2.56    0.00    0.06     0.0    no       A    I  
NOESY_0.3s_2019_D      19  525     yes  2.40   1.68   3.13   2.83    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      20  526     yes  2.38   1.67   3.09   2.44    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      21  527     yes  2.37   1.67   3.07   2.41    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      36  535     yes  3.10   1.90   4.31   3.81    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      37  536     yes  2.95   1.86   4.04   3.33    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      44  541     yes  2.50   1.72   3.29   2.65    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      45  542     yes  2.35   1.66   3.04   2.43    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      46  543     yes  2.30   1.64   2.95   2.28    0.00    0.00     0.0    no       A    Q  
NOESY_0.3s_2019_D      47  544     yes  2.39   1.68   3.11   2.41    0.00    0.00     0.0    no       A    Q  
NOESY_0.3s_2019_D      49  546     yes  2.59   1.75   3.44   2.61    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      50  547     yes  2.63   1.77   3.50   2.71    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      62  551     yes  3.48   1.97   5.00   3.75    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      66  555     yes  3.10   1.90   4.30   2.59    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D      85  564     yes  4.07   2.00   6.13   3.93    0.00    0.00     0.0    no       M    I  
NOESY_0.3s_2019_D     102  569     yes  3.40   1.95   4.84   3.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     103  570     yes  3.48   1.97   4.99   3.74    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     106  573     yes  3.80   2.00   5.61   3.93    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     113  578     yes  3.23   1.92   4.53   4.56    0.00    0.08    20.0    no       A    Q  
NOESY_0.3s_2019_D     116  581     yes  3.79   1.99   5.58   4.24    0.00    0.00     0.0    no       A    Q  
NOESY_0.3s_2019_D     138  586     yes  3.34   1.94   4.73   2.70    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     160  597     yes  1.62   1.29   1.95   1.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     172  605     yes  1.50   1.22   1.78   1.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     189  616     yes  1.64   1.30   1.97   1.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     214  626     yes  1.65   1.31   1.98   1.77    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     232  640     yes  2.88   1.84   3.91   3.76    0.00    0.00     0.0    no       A    I  
NOESY_0.3s_2019_D     242  650     yes  3.47   1.97   4.98   3.69    0.00    0.22     2.9    no       A    I  
  NOESY_0.3s_2019     787    0     yes  2.70   1.79   3.61   2.64    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     790    3     yes  2.24   1.61   2.87   2.19    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     797   10     yes  2.18   1.59   2.77   2.17    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     804   17     yes  3.54   1.97   5.11   4.38    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     810   23     yes  3.59   1.98   5.19   3.02    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     811   24     yes  3.56   1.98   5.14   3.04    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     812   25     yes  4.06   2.00   6.12   3.64    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     813   26     yes  4.14   2.00   6.28   3.70    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     814   27     yes  3.57   1.98   5.17   2.94    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     815   28     yes  2.45   1.70   3.20   2.62    0.00    0.22    11.4    no       M    Q  
  NOESY_0.3s_2019     818   31     yes  3.36   1.95   4.78   4.38    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     819   32     yes  3.48   1.97   5.00   4.42    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     824   37     yes  2.01   1.51   2.52   2.19    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     834   46     yes  3.02   1.88   4.17   3.50    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     836   48     yes  3.20   1.92   4.49   3.70    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     837   49     yes  3.96   2.00   5.92   3.62    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     839   51     yes  2.96   1.86   4.06   3.61    0.00    0.48     2.9    no       M    I  
  NOESY_0.3s_2019     840   52     yes  3.34   1.95   4.73   3.69    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     846   54     yes  2.35   1.66   3.05   2.26    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     849   56     yes  3.20   1.92   4.49   3.57    0.00    0.22     5.7    no       M    I  
  NOESY_0.3s_2019     853   58     yes  3.09   1.90   4.28   2.42    0.00    0.09     0.0    no       M    I  
  NOESY_0.3s_2019     855   59     yes  3.24   1.93   4.55   3.27    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     856   60     yes  3.34   1.95   4.74   3.82    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     859   61     yes  4.20   1.99   6.41   3.99    0.14    0.00     2.9    no       M    I  
  NOESY_0.3s_2019     860   62     yes  3.01   1.88   4.14   2.68    0.09    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     861   63     yes  3.21   1.92   4.49   3.67    0.00    0.03     0.0    no       M    I  
  NOESY_0.3s_2019     865   67     yes  2.64   1.77   3.51   2.61    0.00    0.13    11.4    no       M    I  
  NOESY_0.3s_2019     866   68     yes  2.95   1.86   4.03   3.14    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     867   69     yes  3.79   1.99   5.58   3.34    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     869   71     yes  2.78   1.81   3.75   2.78    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     870   72     yes  3.03   1.88   4.17   3.47    0.00    0.11     5.7    no       M    Q  
  NOESY_0.3s_2019     871   73     yes  3.03   1.88   4.18   3.89    0.00    0.11     8.6    no       M    Q  
  NOESY_0.3s_2019     872   74     yes  3.47   1.96   4.98   3.70    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     873   75     yes  3.33   1.94   4.71   4.03    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     874   76     yes  2.83   1.83   3.83   2.54    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     875   77     yes  2.50   1.72   3.28   2.86    0.00    0.31    34.3    no       M    I  
  NOESY_0.3s_2019     876   78     yes  2.67   1.78   3.56   2.83    0.00    0.03     0.0    no       M    I  
  NOESY_0.3s_2019     877   79     yes  2.80   1.82   3.78   2.81    0.00    0.15     2.9    no       M    Q  
  NOESY_0.3s_2019     878   80     yes  3.36   1.95   4.78   3.52    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     879   81     yes  3.01   1.88   4.14   2.98    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     881   83     yes  2.56   1.74   3.39   2.53    0.00    0.26     2.9    no       M    I  
  NOESY_0.3s_2019     882   84     yes  3.88   2.00   5.77   3.50    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     883   85     yes  3.58   1.98   5.18   3.76    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     889   89     yes  3.44   1.96   4.91   3.23    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     890   90     yes  2.56   1.74   3.38   2.50    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     891   91     yes  2.88   1.84   3.92   2.99    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     892   92     yes  3.24   1.93   4.55   3.82    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     893   93     yes  2.50   1.72   3.28   2.80    0.00    0.44    14.3    no       M    I  
  NOESY_0.3s_2019     894   94     yes  2.99   1.87   4.12   3.48    0.00    0.14    11.4    no       M    Q  
  NOESY_0.3s_2019     897   97     yes  3.76   1.99   5.52   4.07    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     900   99     yes  4.64   1.95   7.33   3.64    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     901  100     yes  5.76   1.61   9.91   4.11    0.00    0.00     0.0    no       M    S  
  NOESY_0.3s_2019     903  101     yes  2.69   1.78   3.59   2.98    0.00    0.08     8.6    no       M    I  
  NOESY_0.3s_2019     904  102     yes  2.83   1.83   3.83   3.15    0.00    0.11     2.9    no       M    I  
  NOESY_0.3s_2019     910  108     yes  2.80   1.82   3.78   2.81    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     913  111     yes  2.50   1.72   3.28   2.63    0.00    0.32    14.3    no       M    I  
  NOESY_0.3s_2019     915  113     yes  2.58   1.75   3.42   3.24    0.00    0.20    22.9    no       M    I  
  NOESY_0.3s_2019     916  114     yes  3.32   1.94   4.70   3.91    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     917  115     yes  3.12   1.90   4.34   3.01    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     918  116     yes  4.21   1.99   6.42   4.09    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     922  119     yes  3.55   1.98   5.13   2.91    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     924  121     yes  4.10   2.00   6.20   3.75    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     925  122     yes  4.04   2.00   6.08   3.80    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     926  123     yes  3.26   1.93   4.59   3.18    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     935  128     yes  2.65   1.77   3.52   2.88    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     939  130     yes  2.51   1.72   3.29   2.88    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     940  131     yes  2.67   1.78   3.57   2.89    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     942  132     yes  3.22   1.92   4.52   2.82    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     943  133     yes  3.36   1.95   4.77   2.84    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     946  134     yes  3.40   1.95   4.84   4.98    0.00    0.22    54.3   yes       M    Q  
  NOESY_0.3s_2019     954  139     yes  4.17   2.00   6.33   3.87    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     955  140     yes  4.35   1.99   6.71   4.10    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     959  144     yes  3.63   1.98   5.29   5.14    0.00    0.98    45.7    no       M    S  
  NOESY_0.3s_2019     960  145     yes  2.66   1.78   3.55   2.34    0.04    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     974  154     yes  3.24   1.93   4.56   4.26    0.00    0.04     0.0    no       M    Q  
  NOESY_0.3s_2019     977  155     yes  3.17   1.91   4.43   2.83    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     978  156     yes  2.35   1.66   3.05   2.57    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     979  157     yes  2.07   1.54   2.61   2.15    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     984  159     yes  2.42   1.69   3.16   2.39    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019     991  165     yes  2.09   1.54   2.63   2.46    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     992  166     yes  2.12   1.56   2.69   2.45    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     997  170     yes  1.62   1.29   1.94   1.73    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     998  171     yes  1.46   1.20   1.73   1.73    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019     999  172     yes  1.54   1.24   1.83   1.73    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1004  176     yes  1.73   1.35   2.10   2.18    0.00    0.08     0.0    no       M    I  
  NOESY_0.3s_2019    1008  179     yes  1.87   1.43   2.30   2.44    0.00    0.13   100.0   yes       M    I  
  NOESY_0.3s_2019    1013  184     yes  2.75   1.80   3.70   2.69    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1021  191     yes  3.49   1.97   5.01   2.45    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1022  192     yes  3.20   1.92   4.48   2.97    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1023  193     yes  2.55   1.74   3.36   2.41    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1028  197     yes  3.08   1.89   4.26   2.61    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1030  199     yes  2.29   1.63   2.94   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1034  202     yes  3.34   1.95   4.74   3.04    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1037  203     yes  3.13   1.91   4.35   3.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1042  208     yes  2.73   1.80   3.66   2.61    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1062  220     yes  3.47   1.97   4.98   2.79    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1067  223     yes  2.16   1.58   2.75   2.50    0.00    0.12    11.4    no       M    Q  
  NOESY_0.3s_2019    1069  225     yes  2.43   1.69   3.17   2.96    0.00    0.35    48.6    no       M    Q  
  NOESY_0.3s_2019    1070  226     yes  2.75   1.81   3.70   3.09    0.00    0.01     0.0    no       M    I  
  NOESY_0.3s_2019    1073  229     yes  2.68   1.78   3.58   2.84    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1076  232     yes  2.66   1.77   3.54   2.91    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1081  237     yes  2.74   1.80   3.68   3.48    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019    1083  239     yes  2.55   1.74   3.36   3.43    0.00    0.11    37.1    no       M    Q  
  NOESY_0.3s_2019    1090  246     yes  3.18   1.92   4.44   2.88    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1093  248     yes  3.57   1.98   5.16   3.42    0.00    0.00     0.0    no       M    S  
  NOESY_0.3s_2019    1094  249     yes  3.45   1.96   4.93   2.91    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1095  250     yes  3.05   1.89   4.22   3.56    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1099  253     yes  2.64   1.77   3.50   2.65    0.00    0.09     0.0    no       M    I  
  NOESY_0.3s_2019    1101  255     yes  2.60   1.75   3.44   3.33    0.00    0.29    57.1   yes       M    I  
  NOESY_0.3s_2019    1113  263     yes  3.55   1.97   5.13   3.04    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1120  269     yes  2.78   1.82   3.75   2.44    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1143  282     yes  2.65   1.77   3.53   2.81    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1155  288     yes  1.68   1.33   2.03   1.77    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1160  292     yes  1.67   1.32   2.01   1.76    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1161  293     yes  1.63   1.30   1.97   1.76    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1164  296     yes  1.46   1.19   1.72   1.76    0.00    0.04     0.0    no       M    I  
  NOESY_0.3s_2019    1179  307     yes  3.98   2.00   5.97   4.01    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1203  326     yes  3.09   1.90   4.28   3.16    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1216  334     yes  4.12   2.00   6.24   4.08    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1235  347     yes  3.41   1.96   4.86   3.48    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1242  354     yes  2.67   1.78   3.57   2.94    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019    1243  355     yes  2.89   1.85   3.94   3.06    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1257  366     yes  2.98   1.87   4.08   2.92    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1265  370     yes  4.43   1.98   6.89   5.76    0.00    0.30    11.4    no       M    S  
  NOESY_0.3s_2019    1266  371     yes  2.96   1.87   4.06   2.67    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1269  374     yes  3.10   1.90   4.30   2.66    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1270  375     yes  2.75   1.81   3.70   2.61    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1273  378     yes  3.36   1.95   4.77   2.96    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1275  380     yes  2.80   1.82   3.78   2.87    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1278  383     yes  3.22   1.92   4.52   2.69    0.00    0.00     0.0    no       S    I  
  NOESY_0.3s_2019    1282  387     yes  3.14   1.91   4.38   2.81    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1286  391     yes  2.29   1.64   2.95   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1287  392     yes  2.32   1.65   3.00   2.48    0.00    0.22    14.3    no       M    I  
  NOESY_0.3s_2019    1294  398     yes  2.41   1.68   3.13   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1299  403     yes  3.73   1.99   5.47   3.89    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1300  404     yes  3.51   1.97   5.05   3.94    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1304  407     yes  3.03   1.88   4.19   3.64    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1305  408     yes  3.02   1.88   4.15   3.21    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1327  420     yes  2.57   1.74   3.39   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1331  422     yes  2.39   1.68   3.10   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1335  425     yes  2.09   1.54   2.63   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1337  427     yes  2.28   1.63   2.93   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1338  428     yes  2.45   1.70   3.20   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1339  429     yes  3.95   2.00   5.90   2.87    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1340  430     yes  3.22   1.92   4.52   2.19    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1342  432     yes  2.09   1.54   2.63   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1343  433     yes  2.38   1.67   3.08   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1344  434     yes  2.16   1.58   2.74   2.12    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1363  453     yes  2.21   1.60   2.83   2.43    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1371  461     yes  1.71   1.34   2.07   1.76    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1374  464     yes  1.93   1.47   2.40   1.76    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1379  469     yes  2.42   1.69   3.15   1.76    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1382  470     yes  3.38   1.95   4.81   3.21    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1384  471     yes  2.90   1.85   3.96   2.13    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1386  473     yes  3.10   1.90   4.30   2.82    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1418  481     yes  3.63   1.98   5.28   3.80    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019    1419  482     yes  4.19   2.00   6.39   4.18    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019    1425  483     yes  4.10   2.00   6.20   4.16    0.00    0.00     0.0    no       M    S  
  NOESY_0.3s_2019    1427  485     yes  3.27   1.93   4.61   3.52    0.00    0.00     0.0    no       M    Q  
  NOESY_0.3s_2019    1435  488     yes  3.18   1.92   4.45   2.81    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1440  491     yes  3.10   1.90   4.29   2.70    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1464  504     yes  2.71   1.79   3.62   2.47    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1465  505     yes  2.95   1.86   4.03   2.65    0.00    0.00     0.0    no       M    I  
  NOESY_0.3s_2019    1469  508     yes  4.07   2.00   6.14   3.83    0.00    0.00     0.0    no       A    Q  
  NOESY_0.5s_2019      38  745      no  2.74   1.80   3.68  12.10    0.00    8.42   100.0   yes       A    L  
  NOESY_0.5s_2019      40  746      no  2.76   1.81   3.71  11.99    0.00    8.28   100.0   yes       A    L  
NOESY_0.5s_2019_D       9  657      no  2.85   1.84   3.87   7.07    0.00    3.20   100.0   yes       A    S  
NOESY_0.5s_2019_D      10  658      no  3.31   1.94   4.68   6.88    0.00    2.20   100.0   yes       A    S  
NOESY_0.5s_2019_D      11  659      no  3.30   1.94   4.67   6.85    0.00    2.18   100.0   yes       A    S  
NOESY_0.5s_2019_D      12  660      no  3.24   1.93   4.55   7.01    0.00    2.46   100.0   yes       A    S  
NOESY_0.5s_2019_D      54  684      no  2.76   1.81   3.71   9.27    0.00    5.56   100.0   yes       A    S  
NOESY_0.5s_2019_D      59  685      no  3.01   1.88   4.13   6.01    0.00    1.87   100.0   yes       A    Q  
NOESY_0.5s_2019_D      74  692      no  2.86   1.84   3.88   6.97    0.00    3.08   100.0   yes       A    S  
NOESY_0.5s_2019_D      88  704      no  2.71   1.79   3.62   3.76    0.00    0.15    82.9   yes       A    I  
NOESY_0.3s_2019_D     110  577      no  3.12   1.90   4.33   4.55    0.00    0.22   100.0   yes       A    Q  
NOESY_0.3s_2019_D     114  579      no  3.67   1.99   5.35   6.38    0.00    1.03   100.0   yes       M    S  
NOESY_0.3s_2019_D     140  588      no  2.77   1.81   3.74  12.09    0.00    8.35   100.0   yes       A    M  
NOESY_0.3s_2019_D     141  589      no  3.31   1.94   4.68   6.87    0.00    2.19   100.0   yes       A    S  
NOESY_0.3s_2019_D     142  590      no  3.79   1.99   5.58   6.88    0.00    1.30   100.0   yes       A    S  
NOESY_0.3s_2019_D     143  591      no  3.73   1.99   5.48   6.85    0.00    1.37   100.0   yes       A    S  
NOESY_0.3s_2019_D     144  592      no  3.19   1.92   4.46   7.00    0.00    2.54   100.0   yes       A    S  
NOESY_0.3s_2019_D     193  618      no  2.83   1.83   3.83  16.83    0.00   13.00   100.0   yes       A    L  
NOESY_0.3s_2019_D     198  619      no  2.58   1.75   3.40   9.27    0.00    5.86   100.0   yes       A    S  
NOESY_0.3s_2019_D     202  620      no  2.79   1.82   3.76   6.01    0.00    2.25   100.0   yes       A    Q  
NOESY_0.3s_2019_D     212  625      no  2.80   1.82   3.79  15.99    0.00   12.20   100.0   yes       A    L  
  NOESY_0.3s_2019     789    2      no  2.13   1.56   2.69   3.36    0.00    0.66   100.0   yes       M    Q  
  NOESY_0.3s_2019     791    4      no  2.30   1.64   2.96   3.33    0.00    0.37   100.0   yes       M    Q  
  NOESY_0.3s_2019     794    7      no  2.15   1.57   2.73   3.43    0.00    0.70   100.0   yes       M    Q  
  NOESY_0.3s_2019     798   11      no  2.01   1.50   2.51   3.46    0.00    0.95   100.0   yes       M    Q  
  NOESY_0.3s_2019     799   12      no  2.19   1.59   2.79   3.42    0.00    0.63   100.0   yes       M    Q  
  NOESY_0.3s_2019     805   18      no  2.15   1.57   2.72   3.47    0.00    0.74   100.0   yes       M    Q  
  NOESY_0.3s_2019     806   19      no  2.06   1.53   2.60   3.27    0.00    0.67   100.0   yes       M    Q  
  NOESY_0.3s_2019     807   20      no  2.12   1.56   2.69   3.42    0.00    0.73   100.0   yes       M    Q  
  NOESY_0.3s_2019     817   30      no  2.07   1.53   2.60   3.42    0.00    0.81   100.0   yes       M    Q  
  NOESY_0.3s_2019     821   34      no  2.53   1.73   3.32   6.65    0.00    3.43    97.1   yes       M    Q  
  NOESY_0.3s_2019     823   36      no  2.04   1.52   2.56   2.92    0.00    0.36   100.0   yes       M    I  
  NOESY_0.3s_2019     826   39      no  2.03   1.52   2.55   3.47    0.00    0.92   100.0   yes       M    Q  
  NOESY_0.3s_2019     827   40      no  2.21   1.60   2.82   3.36    0.00    0.54   100.0   yes       M    Q  
  NOESY_0.3s_2019     828   41      no  2.06   1.53   2.59   3.41    0.00    0.83   100.0   yes       M    Q  
  NOESY_0.3s_2019     829   42      no  2.42   1.69   3.15   3.48    0.00    0.33   100.0   yes       M    Q  
  NOESY_0.3s_2019    1003  175      no  1.54   1.25   1.84   2.18    0.00    0.34   100.0   yes       M    I  
  NOESY_0.3s_2019    1007  178      no  2.00   1.50   2.50   3.80    0.00    1.29   100.0   yes       M    I  
  NOESY_0.3s_2019    1085  241      no  1.95   1.48   2.43   3.38    0.00    0.95   100.0   yes       M    Q  
  NOESY_0.3s_2019    1086  242      no  2.08   1.54   2.62   3.51    0.00    0.89   100.0   yes       M    Q  
  NOESY_0.3s_2019    1277  382      no  2.86   1.84   3.88   5.24    0.00    1.35   100.0   yes       M    Q  
  NOESY_0.3s_2019    1426  484      no  3.29   1.94   4.64   5.29    0.00    0.65   100.0   yes       M    S  
# Restraints file 3: noe_restraints.merged
# List of merged peaks.
#
# Author:  
# Date:    Fri Feb 28 09:43:31 2020
# Project: ARIA_P9R_redo
# Run:     12
# Path:    /NMR/P9R_redo
#
# Total no. of merged peaks:    317
#
# Abbreviations:
#
# m_spec:  Name of spectrum.
# m_no:    Number of peak that has been merged.
# m_id:    Internal peak id (unique over all spectra).
#
# If two peaks M:=(m_spec, m_no) and P:=(spec, no), respectively, have been merged,
# peak M will not appear in the restraint list anymore. Peak P is used instead.
#
# spec:    Name of spectrum.
# no:      Number of peak that remains in restraint-list
# id:      Internal peak id (unique over all spectra).
#
         # m_spec  m_no  m_id               spec    no   id  

  NOESY_0.5s_2019     4   717  NOESY_0.3s_2019_D     6  515  
  NOESY_0.5s_2019     5   718  NOESY_0.5s_2019_D    94  710  
  NOESY_0.5s_2019     8   720  NOESY_0.3s_2019_D     5  514  
  NOESY_0.5s_2019    10   721    NOESY_0.5s_2019    11  722  
  NOESY_0.5s_2019    20   728    NOESY_0.5s_2019    36  743  
  NOESY_0.5s_2019    25   733    NOESY_0.5s_2019    23  731  
  NOESY_0.5s_2019    26   734    NOESY_0.5s_2019    31  739  
  NOESY_0.5s_2019    27   735    NOESY_0.5s_2019    31  739  
  NOESY_0.5s_2019    29   737    NOESY_0.5s_2019    28  736  
  NOESY_0.5s_2019    32   740    NOESY_0.5s_2019    23  731  
  NOESY_0.5s_2019    33   741    NOESY_0.5s_2019    22  730  
  NOESY_0.5s_2019    37   744    NOESY_0.5s_2019    28  736  
  NOESY_0.5s_2019    45   750    NOESY_0.5s_2019    44  749  
  NOESY_0.5s_2019    46   751    NOESY_0.5s_2019    47  752  
  NOESY_0.5s_2019    49   754    NOESY_0.5s_2019    48  753  
  NOESY_0.5s_2019    57   758    NOESY_0.5s_2019    59  760  
NOESY_0.5s_2019_D     2   652  NOESY_0.5s_2019_D     3  653  
NOESY_0.5s_2019_D     8   656  NOESY_0.5s_2019_D     7  655  
NOESY_0.5s_2019_D    13   661  NOESY_0.3s_2019_D   113  578  
NOESY_0.5s_2019_D    14   662  NOESY_0.3s_2019_D   113  578  
NOESY_0.5s_2019_D    16   663    NOESY_0.3s_2019  1412  480  
NOESY_0.5s_2019_D    18   665  NOESY_0.3s_2019_D   152  596  
NOESY_0.5s_2019_D    26   666  NOESY_0.3s_2019_D   160  597  
NOESY_0.5s_2019_D    27   667  NOESY_0.3s_2019_D   160  597  
NOESY_0.5s_2019_D    28   668  NOESY_0.3s_2019_D   160  597  
NOESY_0.5s_2019_D    33   670  NOESY_0.3s_2019_D   170  603  
NOESY_0.5s_2019_D    34   671  NOESY_0.3s_2019_D   172  605  
NOESY_0.5s_2019_D    35   672  NOESY_0.3s_2019_D   172  605  
NOESY_0.5s_2019_D    38   673    NOESY_0.3s_2019  1351  441  
NOESY_0.5s_2019_D    39   674    NOESY_0.3s_2019  1351  441  
NOESY_0.5s_2019_D    41   676  NOESY_0.5s_2019_D    44  679  
NOESY_0.5s_2019_D    42   677  NOESY_0.3s_2019_D   182  611  
NOESY_0.5s_2019_D    43   678  NOESY_0.3s_2019_D   182  611  
NOESY_0.5s_2019_D    47   681  NOESY_0.3s_2019_D   189  616  
NOESY_0.5s_2019_D    48   682  NOESY_0.3s_2019_D   189  616  
NOESY_0.5s_2019_D    51   683  NOESY_0.3s_2019_D   193  618  
NOESY_0.5s_2019_D    68   687  NOESY_0.3s_2019_D   209  622  
NOESY_0.5s_2019_D    69   688  NOESY_0.3s_2019_D   210  623  
NOESY_0.5s_2019_D    70   689  NOESY_0.3s_2019_D   209  622  
NOESY_0.5s_2019_D    72   690  NOESY_0.3s_2019_D   214  626  
NOESY_0.5s_2019_D    73   691  NOESY_0.3s_2019_D   214  626  
NOESY_0.5s_2019_D    90   706  NOESY_0.3s_2019_D   224  632  
NOESY_0.5s_2019_D    92   708  NOESY_0.5s_2019_D    93  709  
NOESY_0.5s_2019_D    95   711  NOESY_0.5s_2019_D    91  707  
NOESY_0.3s_2019_D    17   523    NOESY_0.3s_2019  1257  366  
NOESY_0.3s_2019_D    22   528  NOESY_0.3s_2019_D    21  527  
NOESY_0.3s_2019_D    27   532  NOESY_0.3s_2019_D    26  531  
NOESY_0.3s_2019_D    38   537  NOESY_0.3s_2019_D    39  538  
NOESY_0.3s_2019_D    40   539  NOESY_0.3s_2019_D    39  538  
NOESY_0.3s_2019_D    65   554  NOESY_0.3s_2019_D    23  529  
NOESY_0.3s_2019_D    77   558  NOESY_0.3s_2019_D    78  559  
NOESY_0.3s_2019_D    81   560  NOESY_0.3s_2019_D   103  570  
NOESY_0.3s_2019_D    82   561  NOESY_0.3s_2019_D   106  573  
NOESY_0.3s_2019_D    84   563  NOESY_0.3s_2019_D   102  569  
NOESY_0.3s_2019_D    95   567  NOESY_0.3s_2019_D    70  557  
NOESY_0.3s_2019_D   101   568  NOESY_0.3s_2019_D    47  544  
NOESY_0.3s_2019_D   105   572  NOESY_0.3s_2019_D    83  562  
NOESY_0.3s_2019_D   108   575  NOESY_0.3s_2019_D    90  566  
NOESY_0.3s_2019_D   139   587  NOESY_0.5s_2019_D     7  655  
NOESY_0.3s_2019_D   150   594    NOESY_0.3s_2019  1412  480  
NOESY_0.3s_2019_D   161   598  NOESY_0.3s_2019_D   160  597  
NOESY_0.3s_2019_D   162   599  NOESY_0.3s_2019_D   160  597  
NOESY_0.3s_2019_D   171   604  NOESY_0.3s_2019_D   172  605  
NOESY_0.3s_2019_D   176   606    NOESY_0.3s_2019  1351  441  
NOESY_0.3s_2019_D   178   607    NOESY_0.3s_2019  1351  441  
NOESY_0.3s_2019_D   179   608  NOESY_0.5s_2019_D    40  675  
NOESY_0.3s_2019_D   180   609  NOESY_0.5s_2019_D    46  680  
NOESY_0.3s_2019_D   181   610  NOESY_0.5s_2019_D    44  679  
NOESY_0.3s_2019_D   183   612  NOESY_0.3s_2019_D   182  611  
NOESY_0.3s_2019_D   184   613  NOESY_0.5s_2019_D    44  679  
NOESY_0.3s_2019_D   187   614  NOESY_0.5s_2019_D    46  680  
NOESY_0.3s_2019_D   188   615  NOESY_0.5s_2019_D    46  680  
NOESY_0.3s_2019_D   190   617  NOESY_0.3s_2019_D   189  616  
NOESY_0.3s_2019_D   203   621  NOESY_0.3s_2019_D   202  620  
NOESY_0.3s_2019_D   222   630  NOESY_0.5s_2019_D    77  694  
NOESY_0.3s_2019_D   223   631  NOESY_0.5s_2019_D    79  695  
NOESY_0.3s_2019_D   225   633  NOESY_0.5s_2019_D    81  697  
NOESY_0.3s_2019_D   226   634  NOESY_0.5s_2019_D    82  698  
NOESY_0.3s_2019_D   227   635  NOESY_0.5s_2019_D    83  699  
NOESY_0.3s_2019_D   228   636  NOESY_0.5s_2019_D    84  700  
NOESY_0.3s_2019_D   229   637  NOESY_0.5s_2019_D    85  701  
NOESY_0.3s_2019_D   231   639  NOESY_0.5s_2019_D    87  703  
NOESY_0.3s_2019_D   233   641  NOESY_0.5s_2019_D    89  705  
NOESY_0.3s_2019_D   234   642  NOESY_0.3s_2019_D   224  632  
NOESY_0.3s_2019_D   235   643  NOESY_0.5s_2019_D    91  707  
NOESY_0.3s_2019_D   236   644  NOESY_0.5s_2019_D    93  709  
NOESY_0.3s_2019_D   237   645  NOESY_0.5s_2019_D    94  710  
NOESY_0.3s_2019_D   239   647  NOESY_0.5s_2019_D    96  712  
NOESY_0.3s_2019_D   240   648  NOESY_0.5s_2019_D    97  713  
NOESY_0.3s_2019_D   241   649  NOESY_0.5s_2019_D    98  714  
  NOESY_0.3s_2019   792     5    NOESY_0.3s_2019  1146  285  
  NOESY_0.3s_2019   793     6    NOESY_0.3s_2019  1147  286  
  NOESY_0.3s_2019   796     9    NOESY_0.3s_2019  1145  284  
  NOESY_0.3s_2019   800    13  NOESY_0.3s_2019_D     3  512  
  NOESY_0.3s_2019   801    14  NOESY_0.5s_2019_D    86  702  
  NOESY_0.3s_2019   802    15  NOESY_0.5s_2019_D    85  701  
  NOESY_0.3s_2019   803    16  NOESY_0.3s_2019_D     2  511  
  NOESY_0.3s_2019   808    21    NOESY_0.3s_2019  1086  242  
  NOESY_0.3s_2019   816    29    NOESY_0.3s_2019  1067  223  
  NOESY_0.3s_2019   820    33  NOESY_0.5s_2019_D    87  703  
  NOESY_0.3s_2019   822    35  NOESY_0.3s_2019_D     4  513  
  NOESY_0.3s_2019   825    38    NOESY_0.3s_2019  1085  241  
  NOESY_0.3s_2019   830    43    NOESY_0.3s_2019  1069  225  
  NOESY_0.3s_2019   831    44    NOESY_0.3s_2019   978  156  
  NOESY_0.3s_2019   832    45    NOESY_0.3s_2019   977  155  
  NOESY_0.3s_2019   843    53    NOESY_0.3s_2019  1243  355  
  NOESY_0.3s_2019   847    55    NOESY_0.3s_2019  1242  354  
  NOESY_0.3s_2019   862    64    NOESY_0.3s_2019  1235  347  
  NOESY_0.3s_2019   880    82    NOESY_0.3s_2019  1203  326  
  NOESY_0.3s_2019   885    87    NOESY_0.3s_2019  1199  323  
  NOESY_0.3s_2019   886    88    NOESY_0.3s_2019  1425  483  
  NOESY_0.3s_2019   896    96    NOESY_0.3s_2019  1187  314  
  NOESY_0.3s_2019   911   109    NOESY_0.3s_2019  1095  250  
  NOESY_0.3s_2019   914   112    NOESY_0.3s_2019  1099  253  
  NOESY_0.3s_2019   920   117  NOESY_0.5s_2019_D    77  694  
  NOESY_0.3s_2019   921   118  NOESY_0.5s_2019_D    79  695  
  NOESY_0.3s_2019   923   120    NOESY_0.3s_2019  1113  263  
  NOESY_0.3s_2019   931   125    NOESY_0.3s_2019  1088  244  
  NOESY_0.3s_2019   934   127    NOESY_0.3s_2019  1076  232  
  NOESY_0.3s_2019   947   135    NOESY_0.3s_2019  1435  488  
  NOESY_0.3s_2019   948   136    NOESY_0.3s_2019  1094  249  
  NOESY_0.3s_2019   951   137  NOESY_0.3s_2019_D   242  650  
  NOESY_0.3s_2019   953   138    NOESY_0.3s_2019   995  168  
  NOESY_0.3s_2019   956   141    NOESY_0.3s_2019   994  167  
  NOESY_0.3s_2019   957   142    NOESY_0.5s_2019    22  730  
  NOESY_0.3s_2019   958   143    NOESY_0.5s_2019    23  731  
  NOESY_0.3s_2019   961   146    NOESY_0.5s_2019    21  729  
  NOESY_0.3s_2019   964   147    NOESY_0.5s_2019    31  739  
  NOESY_0.3s_2019   966   148    NOESY_0.5s_2019    28  736  
  NOESY_0.3s_2019   969   149    NOESY_0.5s_2019    31  739  
  NOESY_0.3s_2019   970   150    NOESY_0.5s_2019    23  731  
  NOESY_0.3s_2019   971   151    NOESY_0.5s_2019    22  730  
  NOESY_0.3s_2019   972   152    NOESY_0.3s_2019   960  145  
  NOESY_0.3s_2019   973   153    NOESY_0.5s_2019    21  729  
  NOESY_0.3s_2019   980   158    NOESY_0.3s_2019   979  157  
  NOESY_0.3s_2019   985   160    NOESY_0.3s_2019   984  159  
  NOESY_0.3s_2019   986   161    NOESY_0.5s_2019    44  749  
  NOESY_0.3s_2019   987   162    NOESY_0.3s_2019   997  170  
  NOESY_0.3s_2019   988   163    NOESY_0.3s_2019   998  171  
  NOESY_0.3s_2019   989   164    NOESY_0.3s_2019   999  172  
  NOESY_0.3s_2019  1001   173    NOESY_0.3s_2019   991  165  
  NOESY_0.3s_2019  1002   174    NOESY_0.3s_2019   992  166  
  NOESY_0.3s_2019  1009   180    NOESY_0.3s_2019  1008  179  
  NOESY_0.3s_2019  1010   181    NOESY_0.3s_2019  1011  182  
  NOESY_0.3s_2019  1012   183  NOESY_0.3s_2019_D   232  640  
  NOESY_0.3s_2019  1020   190  NOESY_0.5s_2019_D    93  709  
  NOESY_0.3s_2019  1024   194  NOESY_0.3s_2019_D    25  530  
  NOESY_0.3s_2019  1029   198    NOESY_0.3s_2019  1287  392  
  NOESY_0.3s_2019  1032   200    NOESY_0.3s_2019  1286  391  
  NOESY_0.3s_2019  1033   201  NOESY_0.3s_2019_D    29  533  
  NOESY_0.3s_2019  1040   206    NOESY_0.3s_2019  1270  375  
  NOESY_0.3s_2019  1043   209  NOESY_0.3s_2019_D     9  518  
  NOESY_0.3s_2019  1045   210    NOESY_0.3s_2019  1257  366  
  NOESY_0.3s_2019  1046   211    NOESY_0.3s_2019  1294  398  
  NOESY_0.3s_2019  1051   212    NOESY_0.3s_2019  1295  399  
  NOESY_0.3s_2019  1052   213    NOESY_0.3s_2019  1296  400  
  NOESY_0.3s_2019  1053   214    NOESY_0.3s_2019  1299  403  
  NOESY_0.3s_2019  1054   215  NOESY_0.3s_2019_D    19  525  
  NOESY_0.3s_2019  1055   216  NOESY_0.3s_2019_D    18  524  
  NOESY_0.3s_2019  1056   217  NOESY_0.3s_2019_D    23  529  
  NOESY_0.3s_2019  1057   218  NOESY_0.3s_2019_D    20  526  
  NOESY_0.3s_2019  1058   219  NOESY_0.3s_2019_D    21  527  
  NOESY_0.3s_2019  1065   221  NOESY_0.3s_2019_D   214  626  
  NOESY_0.3s_2019  1066   222  NOESY_0.3s_2019_D   214  626  
  NOESY_0.3s_2019  1072   228    NOESY_0.3s_2019   799   12  
  NOESY_0.3s_2019  1075   231    NOESY_0.3s_2019   824   37  
  NOESY_0.3s_2019  1077   233    NOESY_0.3s_2019   807   20  
  NOESY_0.3s_2019  1078   234    NOESY_0.3s_2019   935  128  
  NOESY_0.3s_2019  1079   235    NOESY_0.3s_2019   806   19  
  NOESY_0.3s_2019  1080   236    NOESY_0.3s_2019   939  130  
  NOESY_0.3s_2019  1082   238    NOESY_0.3s_2019   790    3  
  NOESY_0.3s_2019  1084   240    NOESY_0.3s_2019   826   39  
  NOESY_0.3s_2019  1087   243    NOESY_0.3s_2019   930  124  
  NOESY_0.3s_2019  1089   245    NOESY_0.3s_2019   809   22  
  NOESY_0.3s_2019  1091   247    NOESY_0.3s_2019   932  126  
  NOESY_0.3s_2019  1097   251    NOESY_0.3s_2019   910  108  
  NOESY_0.3s_2019  1098   252    NOESY_0.3s_2019   915  113  
  NOESY_0.3s_2019  1100   254    NOESY_0.3s_2019   913  111  
  NOESY_0.3s_2019  1105   257    NOESY_0.3s_2019   909  107  
  NOESY_0.3s_2019  1106   258    NOESY_0.3s_2019   908  106  
  NOESY_0.3s_2019  1107   259    NOESY_0.3s_2019   906  104  
  NOESY_0.3s_2019  1109   261    NOESY_0.3s_2019   904  102  
  NOESY_0.3s_2019  1110   262    NOESY_0.3s_2019   903  101  
  NOESY_0.3s_2019  1114   264    NOESY_0.3s_2019   922  119  
  NOESY_0.3s_2019  1115   265  NOESY_0.5s_2019_D    77  694  
  NOESY_0.3s_2019  1117   266    NOESY_0.3s_2019   810   23  
  NOESY_0.3s_2019  1118   267    NOESY_0.3s_2019   811   24  
  NOESY_0.3s_2019  1119   268  NOESY_0.3s_2019_D   232  640  
  NOESY_0.3s_2019  1121   270  NOESY_0.5s_2019_D    85  701  
  NOESY_0.3s_2019  1122   271  NOESY_0.5s_2019_D    87  703  
  NOESY_0.3s_2019  1123   272  NOESY_0.5s_2019_D    86  702  
  NOESY_0.3s_2019  1124   273    NOESY_0.3s_2019  1015  186  
  NOESY_0.3s_2019  1125   274    NOESY_0.3s_2019  1016  187  
  NOESY_0.3s_2019  1129   275    NOESY_0.3s_2019   813   26  
  NOESY_0.3s_2019  1132   276  NOESY_0.3s_2019_D    45  542  
  NOESY_0.3s_2019  1136   277  NOESY_0.3s_2019_D    44  541  
  NOESY_0.3s_2019  1137   278  NOESY_0.5s_2019_D     3  653  
  NOESY_0.3s_2019  1139   280  NOESY_0.5s_2019_D     4  654  
  NOESY_0.3s_2019  1141   281  NOESY_0.3s_2019_D    41  540  
  NOESY_0.3s_2019  1154   287    NOESY_0.3s_2019  1155  288  
  NOESY_0.3s_2019  1156   289  NOESY_0.3s_2019_D   160  597  
  NOESY_0.3s_2019  1157   290  NOESY_0.3s_2019_D   160  597  
  NOESY_0.3s_2019  1159   291    NOESY_0.3s_2019  1160  292  
  NOESY_0.3s_2019  1162   294    NOESY_0.3s_2019  1161  293  
  NOESY_0.3s_2019  1163   295    NOESY_0.3s_2019  1164  296  
  NOESY_0.3s_2019  1165   297  NOESY_0.3s_2019_D   172  605  
  NOESY_0.3s_2019  1166   298  NOESY_0.3s_2019_D   172  605  
  NOESY_0.3s_2019  1172   300    NOESY_0.3s_2019  1303  406  
  NOESY_0.3s_2019  1177   305    NOESY_0.3s_2019  1409  479  
  NOESY_0.3s_2019  1178   306    NOESY_0.3s_2019  1314  415  
  NOESY_0.3s_2019  1180   308    NOESY_0.3s_2019  1300  404  
  NOESY_0.3s_2019  1183   311    NOESY_0.3s_2019  1312  413  
  NOESY_0.3s_2019  1188   315    NOESY_0.3s_2019   894   94  
  NOESY_0.3s_2019  1189   316    NOESY_0.3s_2019   897   97  
  NOESY_0.3s_2019  1191   317    NOESY_0.3s_2019   898   98  
  NOESY_0.3s_2019  1194   318    NOESY_0.3s_2019   893   93  
  NOESY_0.3s_2019  1195   319    NOESY_0.3s_2019   892   92  
  NOESY_0.3s_2019  1196   320    NOESY_0.3s_2019   891   91  
  NOESY_0.3s_2019  1197   321    NOESY_0.3s_2019   890   90  
  NOESY_0.3s_2019  1198   322    NOESY_0.3s_2019   889   89  
  NOESY_0.3s_2019  1200   324    NOESY_0.3s_2019   883   85  
  NOESY_0.3s_2019  1202   325    NOESY_0.3s_2019   881   83  
  NOESY_0.3s_2019  1204   327    NOESY_0.3s_2019   879   81  
  NOESY_0.3s_2019  1205   328    NOESY_0.3s_2019   876   78  
  NOESY_0.3s_2019  1206   329    NOESY_0.3s_2019   878   80  
  NOESY_0.3s_2019  1208   330    NOESY_0.3s_2019   875   77  
  NOESY_0.3s_2019  1209   331    NOESY_0.3s_2019   874   76  
  NOESY_0.3s_2019  1210   332    NOESY_0.3s_2019   855   59  
  NOESY_0.3s_2019  1211   333    NOESY_0.3s_2019   856   60  
  NOESY_0.3s_2019  1217   335    NOESY_0.3s_2019   872   74  
  NOESY_0.3s_2019  1219   336    NOESY_0.3s_2019   873   75  
  NOESY_0.3s_2019  1220   337    NOESY_0.3s_2019   869   71  
  NOESY_0.3s_2019  1221   338    NOESY_0.3s_2019   866   68  
  NOESY_0.3s_2019  1222   339    NOESY_0.3s_2019   882   84  
  NOESY_0.3s_2019  1223   340    NOESY_0.3s_2019   867   69  
  NOESY_0.3s_2019  1224   341    NOESY_0.3s_2019   868   70  
  NOESY_0.3s_2019  1225   342    NOESY_0.3s_2019   865   67  
  NOESY_0.3s_2019  1226   343    NOESY_0.3s_2019   863   65  
  NOESY_0.3s_2019  1232   344    NOESY_0.3s_2019   864   66  
  NOESY_0.3s_2019  1234   346    NOESY_0.3s_2019   860   62  
  NOESY_0.3s_2019  1236   348    NOESY_0.3s_2019   861   63  
  NOESY_0.3s_2019  1237   349    NOESY_0.3s_2019   853   58  
  NOESY_0.3s_2019  1239   351    NOESY_0.3s_2019   850   57  
  NOESY_0.3s_2019  1240   352    NOESY_0.5s_2019    16  726  
  NOESY_0.3s_2019  1241   353    NOESY_0.3s_2019   846   54  
  NOESY_0.3s_2019  1244   356    NOESY_0.3s_2019   840   52  
  NOESY_0.3s_2019  1245   357    NOESY_0.3s_2019   838   50  
  NOESY_0.3s_2019  1246   358    NOESY_0.3s_2019   835   47  
  NOESY_0.3s_2019  1247   359    NOESY_0.3s_2019   834   46  
  NOESY_0.3s_2019  1250   360    NOESY_0.3s_2019  1019  189  
  NOESY_0.3s_2019  1251   361  NOESY_0.3s_2019_D    21  527  
  NOESY_0.3s_2019  1252   362  NOESY_0.3s_2019_D    20  526  
  NOESY_0.3s_2019  1253   363  NOESY_0.3s_2019_D    23  529  
  NOESY_0.3s_2019  1255   364  NOESY_0.3s_2019_D    13  522  
  NOESY_0.3s_2019  1256   365  NOESY_0.3s_2019_D    18  524  
  NOESY_0.3s_2019  1258   367  NOESY_0.3s_2019_D    11  520  
  NOESY_0.3s_2019  1259   368  NOESY_0.3s_2019_D    12  521  
  NOESY_0.3s_2019  1261   369  NOESY_0.3s_2019_D    10  519  
  NOESY_0.3s_2019  1268   373  NOESY_0.3s_2019_D     8  517  
  NOESY_0.3s_2019  1271   376    NOESY_0.3s_2019  1038  204  
  NOESY_0.3s_2019  1274   379    NOESY_0.3s_2019  1042  208  
  NOESY_0.3s_2019  1276   381    NOESY_0.3s_2019  1039  205  
  NOESY_0.3s_2019  1279   384  NOESY_0.3s_2019_D    19  525  
  NOESY_0.3s_2019  1281   386    NOESY_0.3s_2019  1062  220  
  NOESY_0.3s_2019  1283   388    NOESY_0.3s_2019  1037  203  
  NOESY_0.3s_2019  1284   389  NOESY_0.3s_2019_D    29  533  
  NOESY_0.3s_2019  1285   390    NOESY_0.3s_2019  1034  202  
  NOESY_0.3s_2019  1288   393    NOESY_0.3s_2019  1030  199  
  NOESY_0.3s_2019  1289   394  NOESY_0.3s_2019_D    25  530  
  NOESY_0.3s_2019  1290   395    NOESY_0.3s_2019  1023  193  
  NOESY_0.3s_2019  1291   396    NOESY_0.3s_2019  1022  192  
  NOESY_0.3s_2019  1293   397    NOESY_0.3s_2019  1021  191  
  NOESY_0.3s_2019  1297   401  NOESY_0.3s_2019_D    36  535  
  NOESY_0.3s_2019  1298   402  NOESY_0.3s_2019_D    37  536  
  NOESY_0.3s_2019  1302   405    NOESY_0.3s_2019  1171  299  
  NOESY_0.3s_2019  1308   409    NOESY_0.3s_2019  1179  307  
  NOESY_0.3s_2019  1328   421    NOESY_0.3s_2019  1386  473  
  NOESY_0.3s_2019  1333   423    NOESY_0.3s_2019  1465  505  
  NOESY_0.3s_2019  1334   424    NOESY_0.3s_2019  1464  504  
  NOESY_0.3s_2019  1345   435  NOESY_0.5s_2019_D    40  675  
  NOESY_0.3s_2019  1346   436  NOESY_0.3s_2019_D   182  611  
  NOESY_0.3s_2019  1347   437    NOESY_0.3s_2019  1351  441  
  NOESY_0.3s_2019  1348   438    NOESY_0.3s_2019  1352  442  
  NOESY_0.3s_2019  1349   439  NOESY_0.5s_2019_D    46  680  
  NOESY_0.3s_2019  1350   440  NOESY_0.5s_2019_D    44  679  
  NOESY_0.3s_2019  1353   443  NOESY_0.5s_2019_D    46  680  
  NOESY_0.3s_2019  1354   444  NOESY_0.5s_2019_D    44  679  
  NOESY_0.3s_2019  1355   445  NOESY_0.3s_2019_D   182  611  
  NOESY_0.3s_2019  1356   446  NOESY_0.3s_2019_D   189  616  
  NOESY_0.3s_2019  1357   447  NOESY_0.3s_2019_D   189  616  
  NOESY_0.3s_2019  1358   448    NOESY_0.3s_2019  1359  449  
  NOESY_0.3s_2019  1364   454  NOESY_0.3s_2019_D   209  622  
  NOESY_0.3s_2019  1368   458    NOESY_0.3s_2019  1367  457  
  NOESY_0.3s_2019  1373   463    NOESY_0.3s_2019  1362  452  
  NOESY_0.3s_2019  1375   465    NOESY_0.3s_2019  1335  425  
  NOESY_0.3s_2019  1377   467    NOESY_0.3s_2019  1324  419  
  NOESY_0.3s_2019  1378   468    NOESY_0.3s_2019  1379  469  
  NOESY_0.3s_2019  1385   472    NOESY_0.3s_2019  1327  420  
  NOESY_0.3s_2019  1387   474    NOESY_0.3s_2019  1331  422  
  NOESY_0.3s_2019  1393   475    NOESY_0.3s_2019  1344  434  
  NOESY_0.3s_2019  1398   476  NOESY_0.3s_2019_D    66  555  
  NOESY_0.3s_2019  1403   477    NOESY_0.3s_2019  1339  429  
  NOESY_0.3s_2019  1407   478    NOESY_0.3s_2019  1340  430  
  NOESY_0.3s_2019  1434   487    NOESY_0.3s_2019   940  131  
  NOESY_0.3s_2019  1436   489    NOESY_0.3s_2019   946  134  
  NOESY_0.3s_2019  1441   492    NOESY_0.3s_2019  1093  248  
  NOESY_0.3s_2019  1442   493    NOESY_0.3s_2019  1104  256  
  NOESY_0.3s_2019  1445   494    NOESY_0.5s_2019    12  723  
  NOESY_0.3s_2019  1446   495    NOESY_0.5s_2019    11  722  
  NOESY_0.3s_2019  1448   497    NOESY_0.3s_2019   877   79  
  NOESY_0.3s_2019  1450   498  NOESY_0.3s_2019_D     9  518  
  NOESY_0.3s_2019  1451   499  NOESY_0.3s_2019_D    36  535  
  NOESY_0.3s_2019  1452   500  NOESY_0.3s_2019_D    37  536  
  NOESY_0.3s_2019  1453   501    NOESY_0.3s_2019  1304  407  
  NOESY_0.3s_2019  1454   502    NOESY_0.3s_2019  1305  408  
  NOESY_0.3s_2019  1463   503  NOESY_0.3s_2019_D    55  548  
  NOESY_0.3s_2019  1470   509  NOESY_0.3s_2019_D   212  625  # Restraints file 4: noe_restraints.ambig

# List of ambiguous distance restraints.
#
# Created by Aria 2.0a, Fri Feb 28 09:43:31 2020
#
# Author:  
# Date:    Fri Feb 28 05:40:17 2020
# Project: ARIA_P9R_redo
# Run:     12
# Path:    /NMR/P9R_redo/run12
#
# Restraints used during calculation: 160
# Violated: 1
#
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# active:   yes(no): restraint has (not) been used in the calculation. A restraint is inactive
#           either if it was violated in the last iteration or if it has been merged with
#           another restraint.
                       
# d:        Restaint distance [A], after calibration.
# upper:    Upper bound [A]
# lower:    Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg:    Average distance [A] found in structure ensemble.
# l_viol:   Average lower-bound violation [A].
# u_viol:   Average upper-bound violation [A].
# %_viol:   Percentage of structures in which a restraint was violated.
# viol:     'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
#           will not be used in the subsequent iteration.
#
# 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.
#
# n_c:      The number of contributions. (see noe_restraints.assignments for
#           explicit list of contributions).
#
# Statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n lowest energy structures etc.) See  section in project-xml file.
#
       # ref_spec  ref_no   id  active     d  lower  upper  d_avg  l_viol  u_viol  %_viol  viol  a_type  n_c  


  NOESY_0.5s_2019       1  715     yes  3.44   1.96   4.92   4.06    0.00    0.07     0.0    no       A    2  
  NOESY_0.5s_2019       3  716     yes  3.86   2.00   5.71   4.82    0.00    0.24     8.6    no       A    5  
  NOESY_0.5s_2019       7  719     yes  3.56   1.98   5.14   3.55    0.00    0.00     0.0    no       A    3  
  NOESY_0.5s_2019      15  725     yes  2.76   1.81   3.71   3.07    0.00    0.00     0.0    no       A    2  
  NOESY_0.5s_2019      16  726     yes  3.28   1.93   4.62   4.21    0.00    0.20     2.9    no       A    2  
  NOESY_0.5s_2019      24  732     yes  3.33   1.94   4.72   3.61    0.00    0.00     0.0    no       A    3  
  NOESY_0.5s_2019      34  742     yes  3.35   1.95   4.76   2.11    0.07    0.00     2.9    no       A    2  
  NOESY_0.5s_2019      36  743     yes  2.19   1.59   2.79   2.31    0.00    0.00     0.0    no       A    2  
  NOESY_0.5s_2019      42  747     yes  2.39   1.67   3.10   2.20    0.00    0.00     0.0    no       A    2  
  NOESY_0.5s_2019      43  748     yes  2.38   1.67   3.08   2.07    0.00    0.00     0.0    no       A    3  
  NOESY_0.5s_2019      50  755     yes  1.75   1.37   2.14   1.85    0.00    0.00     0.0    no       A    2  
  NOESY_0.5s_2019      51  756     yes  1.91   1.46   2.37   1.85    0.00    0.00     0.0    no       A    3  
  NOESY_0.5s_2019      58  759     yes  3.66   1.99   5.33   3.88    0.00    0.00     0.0    no       A    5  
  NOESY_0.5s_2019      59  760     yes  3.05   1.89   4.21   3.74    0.00    0.28     5.7    no       A    4  
  NOESY_0.5s_2019      60  761     yes  3.43   1.96   4.91   4.00    0.00    0.13     8.6    no       A    4  
NOESY_0.5s_2019_D       4  654     yes  1.94   1.47   2.41   2.31    0.00    0.00     0.0    no       A    2  
NOESY_0.5s_2019_D      40  675     yes  2.29   1.64   2.95   2.20    0.00    0.00     0.0    no       A    2  
NOESY_0.5s_2019_D      81  697     yes  3.04   1.89   4.20   3.91    0.00    0.02     0.0    no       A    2  
NOESY_0.5s_2019_D      82  698     yes  2.78   1.81   3.74   3.80    0.00    0.06     0.0    no       A    2  
NOESY_0.5s_2019_D      83  699     yes  2.34   1.66   3.03   2.10    0.00    0.00     0.0    no       A    4  
NOESY_0.5s_2019_D      84  700     yes  2.22   1.60   2.83   1.94    0.00    0.00     0.0    no       A    6  
NOESY_0.5s_2019_D      89  705     yes  3.51   1.97   5.05   4.12    0.00    0.00     0.0    no       A    2  
NOESY_0.5s_2019_D      91  707     yes  3.51   1.97   5.06   3.97    0.00    0.77    11.4    no       A    2  
NOESY_0.5s_2019_D      94  710     yes  3.24   1.93   4.54   2.19    0.15    0.00     8.6    no       A    3  
NOESY_0.5s_2019_D      96  712     yes  3.62   1.98   5.26   4.91    0.00    0.71    45.7    no       A    2  
NOESY_0.5s_2019_D      97  713     yes  3.65   1.98   5.31   3.58    0.00    0.00     0.0    no       A    2  
NOESY_0.5s_2019_D      98  714     yes  2.90   1.85   3.95   2.88    0.03    0.03     0.0    no       A    2  
NOESY_0.3s_2019_D       6  515     yes  3.76   1.99   5.53   4.33    0.00    0.36    14.3    no       A    4  
NOESY_0.3s_2019_D       7  516     yes  3.18   1.92   4.45   2.45    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D       8  517     yes  2.65   1.77   3.53   2.30    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D       9  518     yes  2.55   1.74   3.37   2.33    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      11  520     yes  3.01   1.88   4.15   3.15    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      13  522     yes  2.81   1.82   3.80   3.10    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      23  529     yes  2.75   1.80   3.70   2.61    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      25  530     yes  2.20   1.60   2.81   2.17    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      26  531     yes  2.18   1.59   2.78   1.95    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      29  533     yes  2.57   1.74   3.39   2.66    0.00    0.04     0.0    no       A    2  
NOESY_0.3s_2019_D      30  534     yes  3.03   1.88   4.18   2.71    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      39  538     yes  2.39   1.68   3.10   2.24    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D      41  540     yes  2.13   1.56   2.70   2.30    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      48  545     yes  2.44   1.69   3.18   2.17    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D      55  548     yes  3.31   1.94   4.68   2.44    0.05    0.00     2.9    no       A    4  
NOESY_0.3s_2019_D      56  549     yes  3.44   1.96   4.91   2.99    0.00    0.00     0.0    no       A    5  
NOESY_0.3s_2019_D      57  550     yes  3.59   1.98   5.20   3.68    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      63  552     yes  3.10   1.90   4.29   2.17    0.00    0.00     0.0    no       A    5  
NOESY_0.3s_2019_D      64  553     yes  3.76   1.99   5.52   3.83    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      69  556     yes  3.48   1.97   5.00   3.79    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D      70  557     yes  3.84   2.00   5.69   4.14    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      78  559     yes  3.55   1.98   5.13   3.92    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      83  562     yes  3.75   1.99   5.51   3.93    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D      89  565     yes  3.37   1.95   4.80   3.40    0.07    0.00     0.0    no       A    5  
NOESY_0.3s_2019_D      90  566     yes  3.39   1.95   4.82   3.64    0.07    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D     104  571     yes  4.10   2.00   6.21   3.63    0.00    0.00     0.0    no       A    4  
NOESY_0.3s_2019_D     107  574     yes  4.05   2.00   6.10   4.81    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D     109  576     yes  3.33   1.94   4.72   3.94    0.06    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     133  582     yes  3.26   1.93   4.59   3.65    0.00    0.14     2.9    no       A    6  
NOESY_0.3s_2019_D     134  583     yes  3.52   1.97   5.07   3.73    0.00    0.00     0.0    no       A    5  
NOESY_0.3s_2019_D     135  584     yes  3.48   1.97   4.99   4.04    0.00    0.00     0.0    no       A    4  
NOESY_0.3s_2019_D     136  585     yes  3.50   1.97   5.03   3.58    0.00    0.00     0.0    no       A    6  
NOESY_0.3s_2019_D     145  593     yes  3.18   1.92   4.44   4.08    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     182  611     yes  2.09   1.55   2.64   2.18    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     209  622     yes  1.89   1.44   2.34   2.04    0.00    0.00     0.0    no       A    3  
NOESY_0.3s_2019_D     210  623     yes  1.95   1.47   2.42   1.91    0.00    0.00     0.0    no       A    5  
NOESY_0.3s_2019_D     211  624     yes  1.94   1.47   2.41   1.66    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     224  632     yes  3.09   1.90   4.29   4.00    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     230  638     yes  2.36   1.66   3.06   2.13    0.00    0.00     0.0    no       A    2  
NOESY_0.3s_2019_D     238  646     yes  4.08   2.00   6.15   3.50    0.00    0.00     0.0    no       A    4  
  NOESY_0.3s_2019     788    1     yes  2.89   1.85   3.93   2.53    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     795    8     yes  3.58   1.98   5.19   4.10    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     809   22     yes  2.05   1.52   2.58   2.21    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     835   47     yes  2.75   1.80   3.69   3.20    0.00    0.01     0.0    no       M    2  
  NOESY_0.3s_2019     838   50     yes  2.47   1.71   3.24   2.16    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     850   57     yes  2.85   1.83   3.86   3.07    0.00    0.14    34.3    no       M    2  
  NOESY_0.3s_2019     863   65     yes  2.38   1.67   3.09   2.46    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     864   66     yes  2.83   1.83   3.83   3.06    0.00    0.07     2.9    no       M    2  
  NOESY_0.3s_2019     868   70     yes  2.40   1.68   3.12   2.62    0.00    0.13     8.6    no       M    2  
  NOESY_0.3s_2019     884   86     yes  4.14   2.00   6.29   5.78    0.00    1.48    28.6    no       M    2  
  NOESY_0.3s_2019     895   95     yes  3.74   1.99   5.50   3.59    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     898   98     yes  3.75   1.99   5.51   4.11    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     905  103     yes  3.09   1.90   4.28   3.17    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     906  104     yes  2.28   1.63   2.94   2.29    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019     907  105     yes  2.51   1.72   3.30   2.30    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019     908  106     yes  3.17   1.91   4.43   3.57    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     909  107     yes  2.59   1.75   3.44   2.84    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     912  110     yes  2.40   1.68   3.13   2.57    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     930  124     yes  2.12   1.56   2.69   2.37    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     932  126     yes  2.64   1.77   3.51   2.41    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019     937  129     yes  2.35   1.66   3.05   2.38    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019     994  167     yes  3.63   1.98   5.29   3.37    0.18    0.00     2.9    no       M    2  
  NOESY_0.3s_2019     995  168     yes  2.95   1.86   4.03   2.57    0.24    0.00     2.9    no       M    2  
  NOESY_0.3s_2019     996  169     yes  3.28   1.94   4.63   3.43    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1014  185     yes  2.70   1.79   3.60   1.96    0.00    0.00     0.0    no       A    7  
  NOESY_0.3s_2019    1015  186     yes  2.87   1.84   3.90   2.48    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1016  187     yes  2.89   1.85   3.94   2.48    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1018  188     yes  3.76   1.99   5.53   4.49    0.00    0.91    20.0    no       M    2  
  NOESY_0.3s_2019    1019  189     yes  3.21   1.92   4.50   2.51    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1025  195     yes  3.54   1.97   5.10   3.53    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1026  196     yes  3.71   1.99   5.43   3.09    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019    1038  204     yes  3.05   1.89   4.22   2.84    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1039  205     yes  2.34   1.66   3.03   2.33    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1041  207     yes  2.63   1.77   3.50   2.17    0.00    0.00     0.0    no       A    3  
  NOESY_0.3s_2019    1068  224     yes  2.59   1.75   3.42   2.38    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1071  227     yes  2.33   1.65   3.00   2.60    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1088  244     yes  2.09   1.54   2.63   2.28    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1104  256     yes  2.81   1.82   3.81   2.56    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1108  260     yes  2.70   1.79   3.61   2.39    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1138  279     yes  2.60   1.76   3.45   2.05    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019    1144  283     yes  3.92   2.00   5.84   4.14    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1145  284     yes  3.31   1.94   4.69   3.93    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1146  285     yes  2.41   1.69   3.14   2.28    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1147  286     yes  2.43   1.69   3.17   2.47    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1171  299     yes  2.42   1.69   3.15   2.20    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1173  301     yes  2.67   1.78   3.56   2.28    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1174  302     yes  2.47   1.71   3.23   2.33    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1175  303     yes  2.53   1.73   3.33   2.04    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1176  304     yes  2.63   1.77   3.50   2.04    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1181  309     yes  3.18   1.92   4.44   2.07    0.03    0.00     0.0    no       A    6  
  NOESY_0.3s_2019    1182  310     yes  3.16   1.91   4.41   2.64    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1184  312     yes  3.40   1.95   4.84   2.84    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1187  314     yes  3.17   1.91   4.43   3.48    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1199  323     yes  3.66   1.99   5.34   4.65    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1233  345     yes  3.22   1.92   4.51   2.28    0.09    0.00     5.7    no       A    4  
  NOESY_0.3s_2019    1238  350     yes  3.34   1.95   4.74   3.18    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019    1267  372     yes  2.59   1.75   3.43   2.30    0.00    0.00     0.0    no       A    2  
  NOESY_0.3s_2019    1272  377     yes  3.15   1.91   4.40   2.52    0.00    0.00     0.0    no       A    3  
  NOESY_0.3s_2019    1280  385     yes  3.90   2.00   5.80   3.77    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1295  399     yes  2.70   1.79   3.61   2.20    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1296  400     yes  2.67   1.78   3.55   2.23    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1303  406     yes  2.35   1.66   3.05   2.22    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1309  410     yes  4.24   1.99   6.48   5.10    0.00    1.07    14.3    no       M    2  
  NOESY_0.3s_2019    1310  411     yes  2.95   1.86   4.04   1.97    0.02    0.00     0.0    no       A    8  
  NOESY_0.3s_2019    1311  412     yes  3.13   1.90   4.35   1.97    0.04    0.00     2.9    no       A    5  
  NOESY_0.3s_2019    1312  413     yes  3.07   1.89   4.24   2.74    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1313  414     yes  2.74   1.80   3.68   1.81    0.04    0.00     2.9    no       A    6  
  NOESY_0.3s_2019    1314  415     yes  2.90   1.85   3.95   2.29    0.00    0.00     0.0    no       M    3  
  NOESY_0.3s_2019    1319  416     yes  2.88   1.84   3.91   2.31    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1320  417     yes  2.41   1.68   3.14   1.69    0.01    0.00     0.0    no       A    9  
  NOESY_0.3s_2019    1321  418     yes  2.55   1.74   3.36   2.28    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1324  419     yes  2.07   1.54   2.61   1.90    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1336  426     yes  3.27   1.93   4.60   2.79    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1341  431     yes  2.70   1.79   3.61   2.13    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1351  441     yes  1.97   1.48   2.45   2.30    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1352  442     yes  2.20   1.60   2.81   2.30    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1359  449     yes  1.90   1.45   2.35   2.13    0.00    0.00     0.0    no       A    3  
  NOESY_0.3s_2019    1360  450     yes  1.99   1.49   2.48   1.97    0.00    0.00     0.0    no       A    4  
  NOESY_0.3s_2019    1361  451     yes  2.02   1.51   2.54   1.92    0.00    0.00     0.0    no       A    5  
  NOESY_0.3s_2019    1362  452     yes  1.89   1.44   2.34   2.07    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1365  455     yes  1.72   1.35   2.09   1.84    0.00    0.00     0.0    no       A    6  
  NOESY_0.3s_2019    1366  456     yes  1.76   1.37   2.14   1.85    0.00    0.00     0.0    no       A    6  
  NOESY_0.3s_2019    1367  457     yes  1.54   1.25   1.84   1.46    0.00    0.00     0.0    no       A    3  
  NOESY_0.3s_2019    1369  459     yes  1.65   1.31   1.99   1.55    0.00    0.00     0.0    no       A    2  
  NOESY_0.3s_2019    1370  460     yes  1.78   1.39   2.18   2.31    0.00    0.15    80.0   yes       M    2  
  NOESY_0.3s_2019    1372  462     yes  2.03   1.52   2.55   1.57    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1376  466     yes  2.38   1.67   3.09   1.89    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1409  479     yes  2.72   1.79   3.64   2.03    0.00    0.00     0.0    no       M    4  
  NOESY_0.3s_2019    1412  480     yes  3.07   1.89   4.26   4.05    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1429  486     yes  3.32   1.94   4.70   2.36    0.00    0.00     0.0    no       M    2  
  NOESY_0.3s_2019    1437  490     yes  3.13   1.91   4.35   2.05    0.00    0.00     0.0    no       A    5  
  NOESY_0.3s_2019    1466  506     yes  3.74   1.99   5.49   2.20    0.00    0.00     0.0    no       A    2  
  NOESY_0.3s_2019    1468  507     yes  3.18   1.92   4.45   2.47    0.00    0.00     0.0    no       A    2  
  NOESY_0.5s_2019      13  724      no  2.68   1.78   3.57   4.24    0.00    0.73    97.1   yes       A    2  
  NOESY_0.5s_2019      47  752      no  2.73   1.80   3.66   4.18    0.00    0.52    97.1   yes       A    2  
  NOESY_0.5s_2019      48  753      no  2.63   1.76   3.49   9.85    0.00    6.36   100.0   yes       A    2  
  NOESY_0.5s_2019      52  757      no  2.32   1.65   2.99  15.80    0.00   12.82   100.0   yes       A    2  
NOESY_0.5s_2019_D       7  655      no  2.93   1.86   4.00   6.23    0.00    2.23   100.0   yes       A    2  
NOESY_0.5s_2019_D      17  664      no  3.10   1.90   4.30  12.09    0.00    7.79   100.0   yes       A    2  
NOESY_0.5s_2019_D      32  669      no  2.13   1.56   2.70  12.83    0.00   10.14   100.0   yes       A    2  
NOESY_0.5s_2019_D      60  686      no  2.94   1.86   4.02   4.92    0.00    0.94    91.4   yes       A    2  
NOESY_0.5s_2019_D      76  693      no  3.60   1.98   5.22   9.05    0.00    3.82   100.0   yes       A    2  
NOESY_0.5s_2019_D      80  696      no  2.91   1.85   3.96   4.00    0.00    0.17    62.9   yes       A    2  
NOESY_0.3s_2019_D     115  580      no  3.28   1.94   4.63   6.11    0.00    1.58    97.1   yes       A    2  
NOESY_0.3s_2019_D     151  595      no  3.30   1.94   4.66  16.67    0.00   12.01   100.0   yes       A    2  
NOESY_0.3s_2019_D     152  596      no  2.56   1.74   3.38  12.09    0.00    8.71   100.0   yes       A    2  
NOESY_0.3s_2019_D     167  600      no  2.18   1.59   2.78   4.89    0.00    2.11   100.0   yes       A    2  
NOESY_0.3s_2019_D     168  601      no  2.10   1.55   2.65   4.95    0.00    2.31   100.0   yes       A    2  
NOESY_0.3s_2019_D     169  602      no  2.11   1.55   2.67   4.94    0.00    2.27   100.0   yes       A    2  
NOESY_0.3s_2019_D     170  603      no  2.35   1.66   3.05   7.87    0.00    5.14    94.3   yes       A    5  
NOESY_0.3s_2019_D     215  627      no  2.83   1.83   3.83  12.03    0.00    8.20   100.0   yes       A    2  
NOESY_0.3s_2019_D     216  628      no  3.09   1.90   4.29   7.91    0.00    3.62   100.0   yes       A    3  
NOESY_0.3s_2019_D     221  629      no  3.35   1.95   4.76   7.96    0.00    3.20   100.0   yes       A    3  
  NOESY_0.3s_2019    1005  177      no  1.45   1.19   1.72   1.94    0.00    0.23   100.0   yes       M    2  
  NOESY_0.3s_2019    1011  182      no  1.38   1.14   1.62   1.96    0.00    0.34   100.0   yes       M    2  
  NOESY_0.3s_2019    1074  230      no  2.03   1.52   2.55   3.06    0.00    0.51   100.0   yes       M    2  
  NOESY_0.3s_2019    1185  313      no  3.11   1.90   4.32  20.90    0.00   16.58   100.0   yes       M    2  
  NOESY_0.3s_2019    1447  496      no  3.11   1.90   4.32   8.85    0.00    4.52   100.0   yes       M    2  
# Restraints file 5: noe_restraints.violations
#
# Restraint list sorted by upper-bound violations.
#
# Created by Aria 2.0a, Fri Feb 28 09:43:31 2020
#
# Author:  
# Date:    Fri Feb 28 05:40:17 2020
# Project: ARIA_P9R_redo
# Run:     12
# Path:    /NMR/P9R_redo/run12
#
# Abbreviations:
#
# ref_spec: Spectrum name
# ref_no:   Reference peak number (as in spectrum)
# id:       Internal ARIA restraint-id (unique over all spectra)
# active:   yes(no): restraint has (not) been used in the calculation. A restraint is inactive
#           either if it was violated in the last iteration or if it has been merged with
#           another restraint.
                       
# d:        Restaint distance [A], after calibration.
# upper:    Upper bound [A]
# lower:    Lower bound [A]
#
# Statistical quantities which have been calculated with respect to the structures of
# this iteration:
#
# d_avg:    Average distance [A] found in structure ensemble.
# l_viol:   Average lower-bound violation [A].
# u_viol:   Average upper-bound violation [A].
# %_viol:   Percentage of structures in which a restraint was violated.
# viol:     'yes' if the restraint has been violated. 'no' otherwise. Violated restraints
#           will not be used in the subsequent iteration.
#
# 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.
#
# n_c:      For ambiguous restraints, n_c denotes the number of contributions
#           (see noe_restraints.assignments for explicit list of contributions).
#           For unambiguous restraints, n_c denotes the sequence separation, s,
#           of both contributions:
#                                  I:      s == 0  (intra-residual)
#                                  Q:      s == 1  (sequential)        
#                                  S: 2 <= s <= 3  (short)
#                                  M: 4 <= s <= 5  (medium)
#                                  L:      s >  5  (long)
# 
# All statistical quantities are calculated with respect to a 'filtered' ensemble of structures
# (e.g. n-lowest energy structures etc). See also  section in project-xml file.
#
       # ref_spec  ref_no   id  active     d  lower  upper  d_avg  l_viol  u_viol  %_viol  viol  a_type  n_c  


  NOESY_0.3s_2019    1101  255     yes  2.60   1.75   3.44   3.33    0.00    0.29    57.1   yes       M    I  
NOESY_0.3s_2019_D       4  513     yes  2.59   1.75   3.43   3.37    0.00    0.27    68.6   yes       A    I  
  NOESY_0.3s_2019     946  134     yes  3.40   1.95   4.84   4.98    0.00    0.22    54.3   yes       M    Q  
  NOESY_0.3s_2019    1370  460     yes  1.78   1.39   2.18   2.31    0.00    0.15    80.0   yes       M    2  
  NOESY_0.3s_2019    1008  179     yes  1.87   1.43   2.30   2.44    0.00    0.13   100.0   yes       M    I  
  NOESY_0.3s_2019    1185  313      no  3.11   1.90   4.32  20.90    0.00   16.58   100.0   yes       M    2  
NOESY_0.3s_2019_D     193  618      no  2.83   1.83   3.83  16.83    0.00   13.00   100.0   yes       A    L  
  NOESY_0.5s_2019      52  757      no  2.32   1.65   2.99  15.80    0.00   12.82   100.0   yes       A    2  
NOESY_0.3s_2019_D     212  625      no  2.80   1.82   3.79  15.99    0.00   12.20   100.0   yes       A    L  
NOESY_0.3s_2019_D     151  595      no  3.30   1.94   4.66  16.67    0.00   12.01   100.0   yes       A    2  
NOESY_0.5s_2019_D      32  669      no  2.13   1.56   2.70  12.83    0.00   10.14   100.0   yes       A    2  
NOESY_0.3s_2019_D     152  596      no  2.56   1.74   3.38  12.09    0.00    8.71   100.0   yes       A    2  
  NOESY_0.5s_2019      38  745      no  2.74   1.80   3.68  12.10    0.00    8.42   100.0   yes       A    L  
NOESY_0.3s_2019_D     140  588      no  2.77   1.81   3.74  12.09    0.00    8.35   100.0   yes       A    M  
  NOESY_0.5s_2019      40  746      no  2.76   1.81   3.71  11.99    0.00    8.28   100.0   yes       A    L  
NOESY_0.3s_2019_D     215  627      no  2.83   1.83   3.83  12.03    0.00    8.20   100.0   yes       A    2  
NOESY_0.5s_2019_D      17  664      no  3.10   1.90   4.30  12.09    0.00    7.79   100.0   yes       A    2  
  NOESY_0.5s_2019      48  753      no  2.63   1.76   3.49   9.85    0.00    6.36   100.0   yes       A    2  
NOESY_0.3s_2019_D     198  619      no  2.58   1.75   3.40   9.27    0.00    5.86   100.0   yes       A    S  
NOESY_0.5s_2019_D      54  684      no  2.76   1.81   3.71   9.27    0.00    5.56   100.0   yes       A    S  
NOESY_0.3s_2019_D     170  603      no  2.35   1.66   3.05   7.87    0.00    5.14    94.3   yes       A    5  
  NOESY_0.3s_2019    1447  496      no  3.11   1.90   4.32   8.85    0.00    4.52   100.0   yes       M    2  
NOESY_0.5s_2019_D      76  693      no  3.60   1.98   5.22   9.05    0.00    3.82   100.0   yes       A    2  
NOESY_0.3s_2019_D     216  628      no  3.09   1.90   4.29   7.91    0.00    3.62   100.0   yes       A    3  
  NOESY_0.3s_2019     821   34      no  2.53   1.73   3.32   6.65    0.00    3.43    97.1   yes       M    Q  
NOESY_0.5s_2019_D       9  657      no  2.85   1.84   3.87   7.07    0.00    3.20   100.0   yes       A    S  
NOESY_0.3s_2019_D     221  629      no  3.35   1.95   4.76   7.96    0.00    3.20   100.0   yes       A    3  
NOESY_0.5s_2019_D      74  692      no  2.86   1.84   3.88   6.97    0.00    3.08   100.0   yes       A    S  
NOESY_0.3s_2019_D     144  592      no  3.19   1.92   4.46   7.00    0.00    2.54   100.0   yes       A    S  
NOESY_0.5s_2019_D      12  660      no  3.24   1.93   4.55   7.01    0.00    2.46   100.0   yes       A    S  
NOESY_0.3s_2019_D     168  601      no  2.10   1.55   2.65   4.95    0.00    2.31   100.0   yes       A    2  
NOESY_0.3s_2019_D     169  602      no  2.11   1.55   2.67   4.94    0.00    2.27   100.0   yes       A    2  
NOESY_0.3s_2019_D     202  620      no  2.79   1.82   3.76   6.01    0.00    2.25   100.0   yes       A    Q  
NOESY_0.5s_2019_D       7  655      no  2.93   1.86   4.00   6.23    0.00    2.23   100.0   yes       A    2  
NOESY_0.5s_2019_D      10  658      no  3.31   1.94   4.68   6.88    0.00    2.20   100.0   yes       A    S  
NOESY_0.3s_2019_D     141  589      no  3.31   1.94   4.68   6.87    0.00    2.19   100.0   yes       A    S  
NOESY_0.5s_2019_D      11  659      no  3.30   1.94   4.67   6.85    0.00    2.18   100.0   yes       A    S  
NOESY_0.3s_2019_D     167  600      no  2.18   1.59   2.78   4.89    0.00    2.11   100.0   yes       A    2  
NOESY_0.5s_2019_D      59  685      no  3.01   1.88   4.13   6.01    0.00    1.87   100.0   yes       A    Q  
NOESY_0.3s_2019_D     115  580      no  3.28   1.94   4.63   6.11    0.00    1.58    97.1   yes       A    2  
NOESY_0.3s_2019_D     143  591      no  3.73   1.99   5.48   6.85    0.00    1.37   100.0   yes       A    S  
  NOESY_0.3s_2019    1277  382      no  2.86   1.84   3.88   5.24    0.00    1.35   100.0   yes       M    Q  
NOESY_0.3s_2019_D     142  590      no  3.79   1.99   5.58   6.88    0.00    1.30   100.0   yes       A    S  
  NOESY_0.3s_2019    1007  178      no  2.00   1.50   2.50   3.80    0.00    1.29   100.0   yes       M    I  
NOESY_0.3s_2019_D     114  579      no  3.67   1.99   5.35   6.38    0.00    1.03   100.0   yes       M    S  
  NOESY_0.3s_2019    1085  241      no  1.95   1.48   2.43   3.38    0.00    0.95   100.0   yes       M    Q  
  NOESY_0.3s_2019     798   11      no  2.01   1.50   2.51   3.46    0.00    0.95   100.0   yes       M    Q  
NOESY_0.5s_2019_D      60  686      no  2.94   1.86   4.02   4.92    0.00    0.94    91.4   yes       A    2  
  NOESY_0.3s_2019     826   39      no  2.03   1.52   2.55   3.47    0.00    0.92   100.0   yes       M    Q  
  NOESY_0.3s_2019    1086  242      no  2.08   1.54   2.62   3.51    0.00    0.89   100.0   yes       M    Q  
  NOESY_0.3s_2019     828   41      no  2.06   1.53   2.59   3.41    0.00    0.83   100.0   yes       M    Q  
  NOESY_0.3s_2019     817   30      no  2.07   1.53   2.60   3.42    0.00    0.81   100.0   yes       M    Q  
  NOESY_0.3s_2019     805   18      no  2.15   1.57   2.72   3.47    0.00    0.74   100.0   yes       M    Q  
  NOESY_0.5s_2019      13  724      no  2.68   1.78   3.57   4.24    0.00    0.73    97.1   yes       A    2  
  NOESY_0.3s_2019     807   20      no  2.12   1.56   2.69   3.42    0.00    0.73   100.0   yes       M    Q  
  NOESY_0.3s_2019     794    7      no  2.15   1.57   2.73   3.43    0.00    0.70   100.0   yes       M    Q  
  NOESY_0.3s_2019     806   19      no  2.06   1.53   2.60   3.27    0.00    0.67   100.0   yes       M    Q  
  NOESY_0.3s_2019     789    2      no  2.13   1.56   2.69   3.36    0.00    0.66   100.0   yes       M    Q  
  NOESY_0.3s_2019    1426  484      no  3.29   1.94   4.64   5.29    0.00    0.65   100.0   yes       M    S  
  NOESY_0.3s_2019     799   12      no  2.19   1.59   2.79   3.42    0.00    0.63   100.0   yes       M    Q  
  NOESY_0.3s_2019     827   40      no  2.21   1.60   2.82   3.36    0.00    0.54   100.0   yes       M    Q  
  NOESY_0.5s_2019      47  752      no  2.73   1.80   3.66   4.18    0.00    0.52    97.1   yes       A    2  
  NOESY_0.3s_2019    1074  230      no  2.03   1.52   2.55   3.06    0.00    0.51   100.0   yes       M    2  
  NOESY_0.3s_2019     791    4      no  2.30   1.64   2.96   3.33    0.00    0.37   100.0   yes       M    Q  
  NOESY_0.3s_2019     823   36      no  2.04   1.52   2.56   2.92    0.00    0.36   100.0   yes       M    I  
  NOESY_0.3s_2019    1003  175      no  1.54   1.25   1.84   2.18    0.00    0.34   100.0   yes       M    I  
  NOESY_0.3s_2019    1011  182      no  1.38   1.14   1.62   1.96    0.00    0.34   100.0   yes       M    2  
  NOESY_0.3s_2019     829   42      no  2.42   1.69   3.15   3.48    0.00    0.33   100.0   yes       M    Q  
  NOESY_0.3s_2019    1005  177      no  1.45   1.19   1.72   1.94    0.00    0.23   100.0   yes       M    2  
NOESY_0.3s_2019_D     110  577      no  3.12   1.90   4.33   4.55    0.00    0.22   100.0   yes       A    Q  
NOESY_0.5s_2019_D      80  696      no  2.91   1.85   3.96   4.00    0.00    0.17    62.9   yes       A    2  
NOESY_0.5s_2019_D      88  704      no  2.71   1.79   3.62   3.76    0.00    0.15    82.9   yes       A    I  
# Restraints file 6: noe_restraints.rms
# Active restraints RMS violation
all restraints           0.157
ambiguous restraints     0.188
unambiguous restraints   0.129

# RMS violation per residue
1    0.011
2    0.000
3    0.000
4    0.000
5    0.000
6    0.098
7    0.175
8    0.014
9    0.041
10    0.064
11    0.030
12    0.010
13    0.326
14    0.200
15    0.061
16    0.039
17    0.101
18    0.057
19    0.117
20    0.044
21    0.378
22    0.469
23    0.325
24    0.290
25    0.204
26    0.106
27    0.071
28    0.178
29    0.000
30    0.171

# RMS violation 2D map
  4    A -   3    A    0.000
  3    A -   3    A    0.000
  3    A -   2    A    0.000
 13    A -  10    A    0.085
 13    A -  13    A    0.311
 14    A -  13    A    0.473
 13    A -  12    A    0.020
 15    A -  13    A    0.000
 13    A -  11    A    0.340
 21    A -  20    A    0.000
 21    A -  21    A    0.121
 21    A -  19    A    0.202
 22    A -  21    A    0.749
 15    A -  14    A    0.019
 15    A -  15    A    0.058
 16    A -  15    A    0.087
 15    A -  13    A    0.000
 17    A -  15    A    0.078
 30    A -  30    A    0.190
 30    A -  29    A    0.000
 24    A -  23    A    0.188
 23    A -  20    A    0.260
 25    A -  23    A    0.000
 23    A -  23    A    0.109
 23    A -  22    A    0.793
 24    A -  22    A    0.412
 22    A -  20    A    0.000
 22    A -  22    A    0.237
 23    A -  22    A    0.793
 22    A -  21    A    0.749
 16    A -  15    A    0.087
 16    A -  16    A    0.000
 17    A -  16    A    0.039
 23    A -  20    A    0.260
 20    A -  20    A    0.053
 22    A -  20    A    0.000
 20    A -  19    A    0.000
 21    A -  20    A    0.000
 14    A -  14    A    0.036
 15    A -  14    A    0.019
 14    A -  13    A    0.473
 17    A -  14    A    0.257
  6    A -   6    A    0.032
  6    A -   5    A    0.000
  7    A -   6    A    0.221
 20    A -  19    A    0.000
 19    A -  19    A    0.195
 19    A -  18    A    0.000
 21    A -  19    A    0.202
 28    A -  24    A    0.633
 28    A -  28    A    0.117
 28    A -  27    A    0.109
 29    A -  28    A    0.000
 12    A -  11    A    0.000
 11    A -  10    A    0.029
 13    A -  11    A    0.340
 11    A -  11    A    0.000
 17    A -  14    A    0.257
 17    A -  17    A    0.033
 17    A -  15    A    0.078
 17    A -  16    A    0.039
 18    A -  17    A    0.164
  8    A -   7    A    0.000
  9    A -   7    A    0.000
  7    A -   6    A    0.221
 10    A -   7    A    0.325
  7    A -   7    A    0.000
  9    A -   8    A    0.034
  9    A -   9    A    0.122
 10    A -   9    A    0.000
  9    A -   7    A    0.000
 10    A -   9    A    0.000
 10    A -   7    A    0.325
 10    A -  10    A    0.000
 13    A -  10    A    0.085
 12    A -  10    A    0.000
 11    A -  10    A    0.029
  5    A -   4    A    0.000
  6    A -   5    A    0.000
  5    A -   5    A    0.000
  2    A -   1    A    0.000
  3    A -   2    A    0.000
  2    A -   2    A    0.000
  1    A -   1    A    0.014
  2    A -   1    A    0.000
 12    A -  12    A    0.000
 12    A -  11    A    0.000
 13    A -  12    A    0.020
 12    A -  10    A    0.000
 26    A -  25    A    0.232
 27    A -  26    A    0.010
 26    A -  26    A    0.036
 25    A -  24    A    0.348
 28    A -  24    A    0.633
 24    A -  23    A    0.188
 24    A -  24    A    0.000
 24    A -  22    A    0.412
  8    A -   8    A    0.000
  9    A -   8    A    0.034
  8    A -   7    A    0.000
 25    A -  24    A    0.348
 25    A -  25    A    0.099
 25    A -  23    A    0.000
 26    A -  25    A    0.232
 29    A -  28    A    0.000
 30    A -  29    A    0.000
 29    A -  29    A    0.000
  4    A -   4    A    0.000
  4    A -   3    A    0.000
  5    A -   4    A    0.000
 28    A -  27    A    0.109
 27    A -  27    A    0.000
 27    A -  26    A    0.010
 19    A -  18    A    0.000
 18    A -  18    A    0.000
 18    A -  17    A    0.164
# Restraints file 7: D_1300016060_mr_P1.dat.V1
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -74.14 25.86 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -15.80 44.20 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -79.23 90.77 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 136.53 46.53 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -84.67 35.33 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -13.08 26.92 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -60.48 29.52 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -27.21 22.79 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -98.16 81.84 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 152.03 72.03 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -55.87 24.13 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 140.50 20.50 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -67.90 42.10 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -14.46 25.54 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -68.16 41.84 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -16.31 33.69 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -65.72 24.28 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -36.26 33.74 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -64.44 25.56 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -20.33 49.67 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -72.39 27.61 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -19.35 40.65 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -74.56 25.44 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -25.30 44.70 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -79.28 50.72 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -14.87 45.13 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -134.61 45.39 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 150.91 50.91 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -65.26 34.74 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 143.68 53.68 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -65.93 44.07 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -24.85 45.15 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -61.61 28.39 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -41.36 28.64 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -68.10 21.90 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -36.63 33.37 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -74.25 25.75 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -34.45 35.55 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -69.93 30.07 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -39.99 30.01 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1          1H        ASN   1 -19.618   6.828  -2.016
    2    H2   ASN   1          2H        ASN   1 -19.078   8.307  -1.403
    3    H3   ASN   1          3H        ASN   1 -18.532   6.865  -0.721
    4    HA   ASN   1           HA       ASN   1 -17.428   6.283  -2.777
    5    HB2  ASN   1          1HB       ASN   1 -17.193   8.009  -4.531
    6    HB3  ASN   1          2HB       ASN   1 -18.864   7.505  -4.326
    7   HD21  ASN   1          1HD2      ASN   1 -17.704   9.969  -5.432
    8   HD22  ASN   1          2HD2      ASN   1 -18.427  11.259  -4.534
    9    H    GLY   2           H        GLY   2 -15.223   6.753  -2.940
   10    HA2  GLY   2          1HA       GLY   2 -13.586   8.678  -2.362
   11    HA3  GLY   2          2HA       GLY   2 -14.271   8.466  -0.754
   12    H    ALA   3           H        ALA   3 -12.511   7.666   0.318
   13    HA   ALA   3           HA       ALA   3 -10.974   5.478  -0.806
   14    HB1  ALA   3          1HB       ALA   3  -9.633   5.649   1.229
   15    HB2  ALA   3          2HB       ALA   3 -10.788   6.799   1.902
   16    HB3  ALA   3          3HB       ALA   3  -9.842   7.231   0.479
   17    H    ILE   4           H        ILE   4 -13.475   6.014   1.552
   18    HA   ILE   4           HA       ILE   4 -13.367   3.355   2.652
   19    HB   ILE   4           HB       ILE   4 -15.472   5.515   2.908
   20   HG12  ILE   4          1HG1      ILE   4 -13.297   6.164   3.848
   21   HG13  ILE   4          2HG1      ILE   4 -14.487   5.913   5.126
   22   HG21  ILE   4          1HG2      ILE   4 -16.312   4.244   4.824
   23   HG22  ILE   4          2HG2      ILE   4 -15.149   2.964   4.483
   24   HG23  ILE   4          3HG2      ILE   4 -16.431   3.320   3.327
   25   HD11  ILE   4          1HD1      ILE   4 -13.515   3.691   5.550
   26   HD12  ILE   4          2HD1      ILE   4 -12.352   4.997   5.773
   27   HD13  ILE   4          3HD1      ILE   4 -12.298   4.008   4.314
   28    H    CYS   5           H        CYS   5 -14.218   1.607   1.740
   29    HA   CYS   5           HA       CYS   5 -15.980   1.912  -0.558
   30    HB2  CYS   5          1HB       CYS   5 -14.713  -0.591   0.566
   31    HB3  CYS   5          2HB       CYS   5 -15.529  -0.439  -0.986
   32    HG   CYS   5           HG       CYS   5 -13.539   1.627  -1.727
   33    H    TRP   6           H        TRP   6 -16.303   1.536   2.695
   34    HA   TRP   6           HA       TRP   6 -18.012   1.070   4.098
   35    HB2  TRP   6          1HB       TRP   6 -19.651   0.995   1.561
   36    HB3  TRP   6          2HB       TRP   6 -20.322   0.959   3.184
   37    HD1  TRP   6           HD1      TRP   6 -19.150   3.307   0.536
   38    HE1  TRP   6           HE1      TRP   6 -19.306   5.733   1.379
   39    HE3  TRP   6           HE3      TRP   6 -19.994   2.383   5.490
   40    HZ2  TRP   6           HZ2      TRP   6 -19.722   7.074   3.831
   41    HZ3  TRP   6           HZ3      TRP   6 -20.256   4.292   7.017
   42    HH2  TRP   6           HH2      TRP   6 -20.122   6.586   6.203
   43    H    GLY   7           H        GLY   7 -16.334  -1.000   3.193
   44    HA2  GLY   7          1HA       GLY   7 -18.191  -3.293   3.261
   45    HA3  GLY   7          2HA       GLY   7 -16.612  -3.340   2.488
   46    HA   PRO   8           HA       PRO   8 -16.576  -4.417   7.267
   47    HB2  PRO   8          1HB       PRO   8 -16.825  -7.185   6.198
   48    HB3  PRO   8          2HB       PRO   8 -17.448  -6.498   7.703
   49    HG2  PRO   8          1HG       PRO   8 -19.078  -6.973   5.662
   50    HG3  PRO   8          2HG       PRO   8 -19.268  -5.515   6.654
   51    HD2  PRO   8          1HD       PRO   8 -18.095  -5.809   3.920
   52    HD3  PRO   8          2HD       PRO   8 -19.090  -4.501   4.590
   53    H    CYS   9           H        CYS   9 -15.423  -6.187   4.414
   54    HA   CYS   9           HA       CYS   9 -12.682  -5.659   5.254
   55    HB2  CYS   9          1HB       CYS   9 -13.283  -7.934   6.103
   56    HB3  CYS   9          2HB       CYS   9 -13.602  -8.425   4.444
   57    HG   CYS   9           HG       CYS   9 -11.110  -8.661   3.630
   58    HA   PRO  10           HA       PRO  10 -13.455  -4.736   0.808
   59    HB2  PRO  10          1HB       PRO  10 -11.462  -2.643   1.333
   60    HB3  PRO  10          2HB       PRO  10 -13.097  -2.493   0.686
   61    HG2  PRO  10          1HG       PRO  10 -12.477  -1.639   3.150
   62    HG3  PRO  10          2HG       PRO  10 -14.057  -2.353   2.774
   63    HD2  PRO  10          1HD       PRO  10 -11.682  -3.612   4.103
   64    HD3  PRO  10          2HD       PRO  10 -13.402  -3.732   4.528
   65    H    THR  11           H        THR  11 -12.404  -6.033  -0.530
   66    HA   THR  11           HA       THR  11  -9.639  -6.759  -0.014
   67    HB   THR  11           HB       THR  11 -11.443  -7.778  -2.216
   68    HG1  THR  11           HG1      THR  11 -12.523  -8.743  -0.677
   69   HG21  THR  11          1HG2      THR  11  -9.054  -8.294  -2.471
   70   HG22  THR  11          2HG2      THR  11  -9.993  -9.748  -2.128
   71   HG23  THR  11          3HG2      THR  11  -9.035  -8.996  -0.853
   72    H    ALA  12           H        ALA  12 -11.600  -5.203  -2.499
   73    HA   ALA  12           HA       ALA  12  -9.584  -4.934  -4.450
   74    HB1  ALA  12          1HB       ALA  12 -11.058  -3.282  -5.483
   75    HB2  ALA  12          2HB       ALA  12 -12.031  -3.220  -4.015
   76    HB3  ALA  12          3HB       ALA  12 -11.963  -4.703  -4.965
   77    H    PHE  13           H        PHE  13 -10.565  -2.928  -1.748
   78    HA   PHE  13           HA       PHE  13  -9.024  -0.656  -2.256
   79    HB2  PHE  13          1HB       PHE  13 -10.735  -0.715  -0.523
   80    HB3  PHE  13          2HB       PHE  13  -9.807  -1.898   0.387
   81    HD1  PHE  13           HD1      PHE  13  -9.786   1.590  -0.829
   82    HD2  PHE  13           HD2      PHE  13  -8.162  -1.230   1.908
   83    HE1  PHE  13           HE1      PHE  13  -8.660   3.413   0.373
   84    HE2  PHE  13           HE2      PHE  13  -7.032   0.584   3.116
   85    HZ   PHE  13           HZ       PHE  13  -7.279   2.912   2.350
   86    H    ARG  14           H        ARG  14  -8.183  -3.720  -0.732
   87    HA   ARG  14           HA       ARG  14  -5.609  -2.836   0.156
   88    HB2  ARG  14          1HB       ARG  14  -6.743  -5.622  -0.139
   89    HB3  ARG  14          2HB       ARG  14  -5.216  -5.241   0.638
   90    HG2  ARG  14          1HG       ARG  14  -7.937  -4.320   1.545
   91    HG3  ARG  14          2HG       ARG  14  -6.979  -5.610   2.269
   92    HD2  ARG  14          1HD       ARG  14  -5.228  -3.992   2.837
   93    HD3  ARG  14          2HD       ARG  14  -6.181  -2.702   2.104
   94    HE   ARG  14           HE       ARG  14  -7.697  -4.034   4.087
   95   HH11  ARG  14          1HH1      ARG  14  -5.019  -1.798   3.741
   96   HH12  ARG  14          2HH1      ARG  14  -5.315  -1.011   5.256
   97   HH21  ARG  14          1HH2      ARG  14  -8.087  -2.998   6.096
   98   HH22  ARG  14          2HH2      ARG  14  -7.061  -1.688   6.594
   99    H    GLN  15           H        GLN  15  -6.887  -4.354  -2.699
  100    HA   GLN  15           HA       GLN  15  -4.381  -5.141  -3.807
  101    HB2  GLN  15          1HB       GLN  15  -7.044  -4.634  -5.148
  102    HB3  GLN  15          2HB       GLN  15  -5.654  -5.379  -5.919
  103    HG2  GLN  15          1HG       GLN  15  -5.762  -7.241  -4.366
  104    HG3  GLN  15          2HG       GLN  15  -7.123  -6.487  -3.539
  105   HE21  GLN  15          1HE2      GLN  15  -6.698  -6.424  -7.006
  106   HE22  GLN  15          2HE2      GLN  15  -8.027  -7.464  -7.379
  107    H    ILE  16           H        ILE  16  -6.273  -2.231  -3.795
  108    HA   ILE  16           HA       ILE  16  -4.665  -0.931  -5.814
  109    HB   ILE  16           HB       ILE  16  -6.769   0.184  -3.944
  110   HG12  ILE  16          1HG1      ILE  16  -6.891  -0.511  -6.890
  111   HG13  ILE  16          2HG1      ILE  16  -7.626  -1.447  -5.589
  112   HG21  ILE  16          1HG2      ILE  16  -5.377   1.471  -6.290
  113   HG22  ILE  16          2HG2      ILE  16  -5.232   1.933  -4.595
  114   HG23  ILE  16          3HG2      ILE  16  -6.765   2.146  -5.438
  115   HD11  ILE  16          1HD1      ILE  16  -9.107   0.405  -5.073
  116   HD12  ILE  16          2HD1      ILE  16  -9.254  -0.064  -6.766
  117   HD13  ILE  16          3HD1      ILE  16  -8.343   1.381  -6.328
  118    H    GLY  17           H        GLY  17  -5.169  -0.670  -2.306
  119    HA2  GLY  17          1HA       GLY  17  -2.990   1.200  -1.992
  120    HA3  GLY  17          2HA       GLY  17  -3.947   0.477  -0.706
  121    H    ASN  18           H        ASN  18  -1.412  -0.236  -3.056
  122    HA   ASN  18           HA       ASN  18  -0.029  -1.813  -1.030
  123    HB2  ASN  18          1HB       ASN  18  -1.292  -3.485  -2.252
  124    HB3  ASN  18          2HB       ASN  18  -0.713  -2.852  -3.786
  125   HD21  ASN  18          1HD2      ASN  18   0.166  -4.850  -4.357
  126   HD22  ASN  18          2HD2      ASN  18   1.612  -5.451  -3.631
  127    H    CYS  19           H        CYS  19   1.936  -1.022  -0.902
  128    HA   CYS  19           HA       CYS  19   3.255  -0.108  -3.367
  129    HB2  CYS  19          1HB       CYS  19   4.485   1.505  -1.805
  130    HB3  CYS  19          2HB       CYS  19   2.803   1.873  -2.175
  131    HG   CYS  19           HG       CYS  19   4.019   1.992   0.680
  132    H    GLY  20           H        GLY  20   3.380  -2.713  -2.429
  133    HA2  GLY  20          1HA       GLY  20   5.695  -3.119  -0.785
  134    HA3  GLY  20          2HA       GLY  20   4.790  -4.355  -1.644
  135    H    ARG  21           H        ARG  21   5.355  -2.298  -4.018
  136    HA   ARG  21           HA       ARG  21   7.657  -3.736  -4.980
  137    HB2  ARG  21          1HB       ARG  21   7.354  -2.531  -7.052
  138    HB3  ARG  21          2HB       ARG  21   5.800  -3.128  -6.492
  139    HG2  ARG  21          1HG       ARG  21   5.187  -0.934  -5.716
  140    HG3  ARG  21          2HG       ARG  21   6.788  -0.311  -6.121
  141    HD2  ARG  21          1HD       ARG  21   4.796  -1.450  -8.078
  142    HD3  ARG  21          2HD       ARG  21   5.118   0.265  -7.829
  143    HE   ARG  21           HE       ARG  21   7.538  -0.513  -8.470
  144   HH11  ARG  21          1HH1      ARG  21   4.514  -1.593  -9.871
  145   HH12  ARG  21          2HH1      ARG  21   5.203  -1.911 -11.431
  146   HH21  ARG  21          1HH2      ARG  21   8.445  -0.936 -10.533
  147   HH22  ARG  21          2HH2      ARG  21   7.430  -1.530 -11.807
  148    H    PHE  22           H        PHE  22   7.478  -1.454  -2.799
  149    HA   PHE  22           HA       PHE  22   9.583   0.309  -3.743
  150    HB2  PHE  22          1HB       PHE  22   7.659   1.116  -2.346
  151    HB3  PHE  22          2HB       PHE  22   8.278   0.151  -1.015
  152    HD1  PHE  22           HD1      PHE  22   9.146   2.938  -3.295
  153    HD2  PHE  22           HD2      PHE  22   9.885   1.011   0.424
  154    HE1  PHE  22           HE1      PHE  22  10.557   4.826  -2.601
  155    HE2  PHE  22           HE2      PHE  22  11.304   2.892   1.120
  156    HZ   PHE  22           HZ       PHE  22  11.641   4.805  -0.391
  157    H    ARG  23           H        ARG  23  11.688   0.322  -2.905
  158    HA   ARG  23           HA       ARG  23  12.440  -2.229  -1.687
  159    HB2  ARG  23          1HB       ARG  23  14.122  -0.160  -3.101
  160    HB3  ARG  23          2HB       ARG  23  14.746  -1.644  -2.404
  161    HG2  ARG  23          1HG       ARG  23  12.737  -1.473  -4.645
  162    HG3  ARG  23          2HG       ARG  23  14.458  -1.806  -4.827
  163    HD2  ARG  23          1HD       ARG  23  13.349  -3.901  -4.928
  164    HD3  ARG  23          2HD       ARG  23  14.113  -3.816  -3.343
  165    HE   ARG  23           HE       ARG  23  11.490  -2.878  -3.095
  166   HH11  ARG  23          1HH1      ARG  23  13.158  -5.867  -3.805
  167   HH12  ARG  23          2HH1      ARG  23  11.912  -6.870  -3.139
  168   HH21  ARG  23          1HH2      ARG  23   9.845  -4.192  -2.209
  169   HH22  ARG  23          2HH2      ARG  23  10.022  -5.918  -2.233
  170    H    VAL  24           H        VAL  24  12.241  -2.065   0.424
  171    HA   VAL  24           HA       VAL  24  12.599   0.269   1.955
  172    HB   VAL  24           HB       VAL  24  12.669  -2.610   2.870
  173   HG11  VAL  24          1HG1      VAL  24  12.034  -1.722   5.061
  174   HG12  VAL  24          2HG1      VAL  24  12.180  -0.081   4.434
  175   HG13  VAL  24          3HG1      VAL  24  13.605  -1.115   4.542
  176   HG21  VAL  24          1HG2      VAL  24  10.305  -2.295   3.415
  177   HG22  VAL  24          2HG2      VAL  24  10.601  -2.076   1.690
  178   HG23  VAL  24          3HG2      VAL  24  10.363  -0.672   2.730
  179    H    ARG  25           H        ARG  25  14.710  -2.512   1.348
  180    HA   ARG  25           HA       ARG  25  16.781  -1.766   3.101
  181    HB2  ARG  25          1HB       ARG  25  16.770  -3.471   0.612
  182    HB3  ARG  25          2HB       ARG  25  18.199  -3.254   1.608
  183    HG2  ARG  25          1HG       ARG  25  15.587  -4.376   2.601
  184    HG3  ARG  25          2HG       ARG  25  16.964  -5.346   2.070
  185    HD2  ARG  25          1HD       ARG  25  18.354  -4.281   3.800
  186    HD3  ARG  25          2HD       ARG  25  16.952  -3.369   4.352
  187    HE   ARG  25           HE       ARG  25  16.051  -5.866   4.586
  188   HH11  ARG  25          1HH1      ARG  25  19.123  -4.471   5.504
  189   HH12  ARG  25          2HH1      ARG  25  19.350  -5.534   6.855
  190   HH21  ARG  25          1HH2      ARG  25  16.336  -7.264   6.365
  191   HH22  ARG  25          2HH2      ARG  25  17.755  -7.121   7.351
  192    H    CYS  26           H        CYS  26  16.289  -1.137  -0.345
  193    HA   CYS  26           HA       CYS  26  18.741   0.185  -0.771
  194    HB2  CYS  26          1HB       CYS  26  16.158   0.551  -2.298
  195    HB3  CYS  26          2HB       CYS  26  17.779   0.928  -2.872
  196    HG   CYS  26           HG       CYS  26  18.551  -1.866  -2.588
  197    H    CYS  27           H        CYS  27  15.520   1.386   0.096
  198    HA   CYS  27           HA       CYS  27  16.300   4.143  -0.030
  199    HB2  CYS  27          1HB       CYS  27  13.958   3.360  -0.363
  200    HB3  CYS  27          2HB       CYS  27  13.898   2.914   1.338
  201    HG   CYS  27           HG       CYS  27  14.806   6.089   0.872
  202    H    ARG  28           H        ARG  28  16.688   1.670   2.251
  203    HA   ARG  28           HA       ARG  28  16.817   3.339   4.584
  204    HB2  ARG  28          1HB       ARG  28  16.232   0.900   4.619
  205    HB3  ARG  28          2HB       ARG  28  17.894   0.541   4.176
  206    HG2  ARG  28          1HG       ARG  28  18.663   1.581   6.257
  207    HG3  ARG  28          2HG       ARG  28  16.984   1.898   6.703
  208    HD2  ARG  28          1HD       ARG  28  16.547  -0.546   6.540
  209    HD3  ARG  28          2HD       ARG  28  18.271  -0.791   6.272
  210    HE   ARG  28           HE       ARG  28  17.460   0.616   8.696
  211   HH11  ARG  28          1HH1      ARG  28  18.679  -2.284   7.175
  212   HH12  ARG  28          2HH1      ARG  28  19.164  -3.019   8.669
  213   HH21  ARG  28          1HH2      ARG  28  18.090  -0.358  10.674
  214   HH22  ARG  28          2HH2      ARG  28  18.840  -1.922  10.652
  215    H    ILE  29           H        ILE  29  19.051   2.030   2.232
  216    HA   ILE  29           HA       ILE  29  21.345   3.095   3.679
  217    HB   ILE  29           HB       ILE  29  21.299   1.612   1.043
  218   HG12  ILE  29          1HG1      ILE  29  20.420   0.207   2.845
  219   HG13  ILE  29          2HG1      ILE  29  22.015  -0.354   2.354
  220   HG21  ILE  29          1HG2      ILE  29  23.687   1.240   1.475
  221   HG22  ILE  29          2HG2      ILE  29  23.575   2.225   2.932
  222   HG23  ILE  29          3HG2      ILE  29  23.309   2.958   1.350
  223   HD11  ILE  29          1HD1      ILE  29  22.994   0.758   4.300
  224   HD12  ILE  29          2HD1      ILE  29  21.773  -0.427   4.758
  225   HD13  ILE  29          3HD1      ILE  29  21.388   1.292   4.794
  226    H    ARG  30           H        ARG  30  19.558   3.622   0.681
  227    HA   ARG  30           HA       ARG  30  21.251   5.967   0.137
  228    HB2  ARG  30          1HB       ARG  30  19.300   4.631  -1.749
  229    HB3  ARG  30          2HB       ARG  30  20.479   5.869  -2.149
  230    HG2  ARG  30          1HG       ARG  30  21.081   3.048  -1.288
  231    HG3  ARG  30          2HG       ARG  30  21.209   3.696  -2.923
  232    HD2  ARG  30          1HD       ARG  30  22.828   4.556  -0.524
  233    HD3  ARG  30          2HD       ARG  30  23.400   3.572  -1.869
  234    HE   ARG  30           HE       ARG  30  22.394   6.257  -2.454
  235   HH11  ARG  30          1HH1      ARG  30  25.109   4.067  -2.167
  236   HH12  ARG  30          2HH1      ARG  30  26.221   5.136  -2.959
  237   HH21  ARG  30          1HH2      ARG  30  23.849   7.660  -3.512
  238   HH22  ARG  30          2HH2      ARG  30  25.497   7.173  -3.738
  Start of MODEL    2
    1    H1   ASN   1          1H        ASN   1 -24.692  -8.264   6.741
    2    H2   ASN   1          2H        ASN   1 -25.137  -6.719   7.261
    3    H3   ASN   1          3H        ASN   1 -24.303  -7.754   8.304
    4    HA   ASN   1           HA       ASN   1 -22.360  -7.684   6.922
    5    HB2  ASN   1          1HB       ASN   1 -23.954  -5.732   5.247
    6    HB3  ASN   1          2HB       ASN   1 -22.255  -6.114   5.025
    7   HD21  ASN   1          1HD2      ASN   1 -21.673  -8.095   4.127
    8   HD22  ASN   1          2HD2      ASN   1 -22.820  -9.110   3.324
    9    H    GLY   2           H        GLY   2 -24.396  -5.696   8.660
   10    HA2  GLY   2          1HA       GLY   2 -23.664  -4.206  10.333
   11    HA3  GLY   2          2HA       GLY   2 -22.139  -4.028   9.474
   12    H    ALA   3           H        ALA   3 -22.282  -1.738   9.627
   13    HA   ALA   3           HA       ALA   3 -24.515  -0.379   8.412
   14    HB1  ALA   3          1HB       ALA   3 -23.329   1.659   8.920
   15    HB2  ALA   3          2HB       ALA   3 -21.855   0.757   9.266
   16    HB3  ALA   3          3HB       ALA   3 -23.259   0.586  10.318
   17    H    ILE   4           H        ILE   4 -21.059  -0.758   7.663
   18    HA   ILE   4           HA       ILE   4 -21.459   0.228   4.972
   19    HB   ILE   4           HB       ILE   4 -18.987  -1.072   6.139
   20   HG12  ILE   4          1HG1      ILE   4 -19.638   0.933   7.430
   21   HG13  ILE   4          2HG1      ILE   4 -18.148   1.200   6.525
   22   HG21  ILE   4          1HG2      ILE   4 -19.014  -1.065   3.713
   23   HG22  ILE   4          2HG2      ILE   4 -17.829   0.098   4.301
   24   HG23  ILE   4          3HG2      ILE   4 -19.386   0.658   3.695
   25   HD11  ILE   4          1HD1      ILE   4 -20.897   2.181   5.774
   26   HD12  ILE   4          2HD1      ILE   4 -19.432   2.419   4.819
   27   HD13  ILE   4          3HD1      ILE   4 -19.572   3.150   6.419
   28    H    CYS   5           H        CYS   5 -22.894  -1.221   4.069
   29    HA   CYS   5           HA       CYS   5 -22.490  -4.047   4.174
   30    HB2  CYS   5          1HB       CYS   5 -24.730  -3.009   3.924
   31    HB3  CYS   5          2HB       CYS   5 -24.271  -2.447   2.323
   32    HG   CYS   5           HG       CYS   5 -23.797  -5.205   1.491
   33    H    TRP   6           H        TRP   6 -21.086  -1.584   2.370
   34    HA   TRP   6           HA       TRP   6 -20.657  -2.934  -0.088
   35    HB2  TRP   6          1HB       TRP   6 -19.137  -0.645   1.181
   36    HB3  TRP   6          2HB       TRP   6 -18.903  -1.205  -0.468
   37    HD1  TRP   6           HD1      TRP   6 -21.389   0.692   1.717
   38    HE1  TRP   6           HE1      TRP   6 -23.065   1.920   0.198
   39    HE3  TRP   6           HE3      TRP   6 -19.991  -1.286  -2.779
   40    HZ2  TRP   6           HZ2      TRP   6 -23.702   2.031  -2.552
   41    HZ3  TRP   6           HZ3      TRP   6 -21.183  -0.565  -4.806
   42    HH2  TRP   6           HH2      TRP   6 -22.998   1.056  -4.692
   43    H    GLY   7           H        GLY   7 -19.287  -3.302   3.009
   44    HA2  GLY   7          1HA       GLY   7 -18.040  -5.597   2.797
   45    HA3  GLY   7          2HA       GLY   7 -16.886  -4.586   1.942
   46    HA   PRO   8           HA       PRO   8 -16.703  -3.881   6.770
   47    HB2  PRO   8          1HB       PRO   8 -16.125  -6.705   7.352
   48    HB3  PRO   8          2HB       PRO   8 -17.186  -5.582   8.207
   49    HG2  PRO   8          1HG       PRO   8 -18.150  -7.619   6.734
   50    HG3  PRO   8          2HG       PRO   8 -18.996  -6.067   6.870
   51    HD2  PRO   8          1HD       PRO   8 -17.313  -7.123   4.632
   52    HD3  PRO   8          2HD       PRO   8 -18.819  -6.185   4.566
   53    H    CYS   9           H        CYS   9 -15.103  -6.203   4.702
   54    HA   CYS   9           HA       CYS   9 -12.531  -4.984   5.384
   55    HB2  CYS   9          1HB       CYS   9 -13.011  -7.964   5.156
   56    HB3  CYS   9          2HB       CYS   9 -11.439  -7.198   5.346
   57    HG   CYS   9           HG       CYS   9 -12.874  -5.966   7.821
   58    HA   PRO  10           HA       PRO  10 -13.477  -4.812   0.877
   59    HB2  PRO  10          1HB       PRO  10 -11.465  -2.649   1.158
   60    HB3  PRO  10          2HB       PRO  10 -13.032  -2.626   0.343
   61    HG2  PRO  10          1HG       PRO  10 -12.720  -1.392   2.669
   62    HG3  PRO  10          2HG       PRO  10 -14.204  -2.305   2.326
   63    HD2  PRO  10          1HD       PRO  10 -11.840  -3.093   3.992
   64    HD3  PRO  10          2HD       PRO  10 -13.570  -3.334   4.309
   65    H    THR  11           H        THR  11 -12.489  -6.295  -0.332
   66    HA   THR  11           HA       THR  11  -9.695  -6.921   0.106
   67    HB   THR  11           HB       THR  11 -10.138  -8.710  -1.629
   68    HG1  THR  11           HG1      THR  11 -12.051  -8.813  -2.547
   69   HG21  THR  11          1HG2      THR  11 -11.453 -10.106  -0.088
   70   HG22  THR  11          2HG2      THR  11 -11.879  -8.666   0.837
   71   HG23  THR  11          3HG2      THR  11 -10.199  -9.199   0.757
   72    H    ALA  12           H        ALA  12 -11.752  -5.624  -2.454
   73    HA   ALA  12           HA       ALA  12  -9.756  -5.519  -4.459
   74    HB1  ALA  12          1HB       ALA  12 -11.269  -4.047  -5.653
   75    HB2  ALA  12          2HB       ALA  12 -12.209  -3.783  -4.186
   76    HB3  ALA  12          3HB       ALA  12 -12.173  -5.380  -4.933
   77    H    PHE  13           H        PHE  13 -10.635  -3.424  -1.831
   78    HA   PHE  13           HA       PHE  13  -9.234  -1.110  -2.598
   79    HB2  PHE  13          1HB       PHE  13 -10.867  -1.124  -0.777
   80    HB3  PHE  13          2HB       PHE  13  -9.824  -2.176   0.167
   81    HD1  PHE  13           HD1      PHE  13  -8.187  -1.299   1.562
   82    HD2  PHE  13           HD2      PHE  13 -10.016   1.192  -1.359
   83    HE1  PHE  13           HE1      PHE  13  -7.094   0.661   2.552
   84    HE2  PHE  13           HE2      PHE  13  -8.923   3.158  -0.370
   85    HZ   PHE  13           HZ       PHE  13  -7.457   2.895   1.589
   86    H    ARG  14           H        ARG  14  -8.211  -4.106  -1.126
   87    HA   ARG  14           HA       ARG  14  -5.694  -3.247  -0.164
   88    HB2  ARG  14          1HB       ARG  14  -6.593  -6.010  -1.001
   89    HB3  ARG  14          2HB       ARG  14  -5.147  -5.652  -0.068
   90    HG2  ARG  14          1HG       ARG  14  -6.479  -4.828   1.766
   91    HG3  ARG  14          2HG       ARG  14  -7.955  -5.020   0.819
   92    HD2  ARG  14          1HD       ARG  14  -7.561  -7.455   0.734
   93    HD3  ARG  14          2HD       ARG  14  -6.113  -7.242   1.719
   94    HE   ARG  14           HE       ARG  14  -8.012  -6.104   3.243
   95   HH11  ARG  14          1HH1      ARG  14  -7.853  -9.215   1.634
   96   HH12  ARG  14          2HH1      ARG  14  -8.869 -10.005   2.794
   97   HH21  ARG  14          1HH2      ARG  14  -9.325  -7.148   4.778
   98   HH22  ARG  14          2HH2      ARG  14  -9.695  -8.832   4.591
   99    H    GLN  15           H        GLN  15  -6.844  -4.130  -3.292
  100    HA   GLN  15           HA       GLN  15  -4.349  -4.766  -4.494
  101    HB2  GLN  15          1HB       GLN  15  -6.635  -5.382  -5.377
  102    HB3  GLN  15          2HB       GLN  15  -6.826  -3.706  -5.857
  103    HG2  GLN  15          1HG       GLN  15  -6.163  -5.028  -7.747
  104    HG3  GLN  15          2HG       GLN  15  -4.870  -3.909  -7.314
  105   HE21  GLN  15          1HE2      GLN  15  -3.297  -5.151  -8.314
  106   HE22  GLN  15          2HE2      GLN  15  -2.751  -6.653  -7.658
  107    H    ILE  16           H        ILE  16  -6.032  -1.836  -3.777
  108    HA   ILE  16           HA       ILE  16  -4.177  -0.237  -5.376
  109    HB   ILE  16           HB       ILE  16  -6.601   0.615  -3.777
  110   HG12  ILE  16          1HG1      ILE  16  -7.198  -0.746  -5.737
  111   HG13  ILE  16          2HG1      ILE  16  -7.684   0.932  -5.968
  112   HG21  ILE  16          1HG2      ILE  16  -4.884   2.201  -5.688
  113   HG22  ILE  16          2HG2      ILE  16  -4.951   2.400  -3.936
  114   HG23  ILE  16          3HG2      ILE  16  -6.368   2.770  -4.920
  115   HD11  ILE  16          1HD1      ILE  16  -5.274  -0.419  -7.169
  116   HD12  ILE  16          2HD1      ILE  16  -5.684   1.286  -7.360
  117   HD13  ILE  16          3HD1      ILE  16  -6.756   0.043  -8.006
  118    H    GLY  17           H        GLY  17  -5.215  -0.807  -2.057
  119    HA2  GLY  17          1HA       GLY  17  -3.681   1.148  -0.769
  120    HA3  GLY  17          2HA       GLY  17  -4.234  -0.352  -0.041
  121    H    ASN  18           H        ASN  18  -2.922  -2.336  -0.952
  122    HA   ASN  18           HA       ASN  18  -0.091  -1.566  -1.062
  123    HB2  ASN  18          1HB       ASN  18  -1.247  -3.822   0.585
  124    HB3  ASN  18          2HB       ASN  18   0.468  -3.556   0.321
  125   HD21  ASN  18          1HD2      ASN  18  -2.348  -2.550   2.036
  126   HD22  ASN  18          2HD2      ASN  18  -1.557  -1.431   3.086
  127    H    CYS  19           H        CYS  19  -0.901  -4.901  -0.888
  128    HA   CYS  19           HA       CYS  19  -0.508  -6.614  -2.321
  129    HB2  CYS  19          1HB       CYS  19  -2.766  -5.733  -3.012
  130    HB3  CYS  19          2HB       CYS  19  -1.957  -4.881  -4.321
  131    HG   CYS  19           HG       CYS  19  -3.265  -7.236  -5.243
  132    H    GLY  20           H        GLY  20   1.777  -5.388  -2.129
  133    HA2  GLY  20          1HA       GLY  20   3.777  -5.680  -3.330
  134    HA3  GLY  20          2HA       GLY  20   2.860  -5.643  -4.827
  135    H    ARG  21           H        ARG  21   2.603  -3.242  -2.273
  136    HA   ARG  21           HA       ARG  21   3.363  -1.162  -4.140
  137    HB2  ARG  21          1HB       ARG  21   2.404  -1.126  -1.284
  138    HB3  ARG  21          2HB       ARG  21   3.000   0.326  -2.074
  139    HG2  ARG  21          1HG       ARG  21   0.760  -1.338  -3.184
  140    HG3  ARG  21          2HG       ARG  21   0.510   0.007  -2.071
  141    HD2  ARG  21          1HD       ARG  21   1.953   0.244  -4.707
  142    HD3  ARG  21          2HD       ARG  21   0.240   0.597  -4.482
  143    HE   ARG  21           HE       ARG  21   1.265   2.182  -2.646
  144   HH11  ARG  21          1HH1      ARG  21   2.418   1.592  -5.893
  145   HH12  ARG  21          2HH1      ARG  21   3.064   3.190  -6.088
  146   HH21  ARG  21          1HH2      ARG  21   2.116   4.280  -2.896
  147   HH22  ARG  21          2HH2      ARG  21   2.898   4.717  -4.382
  148    H    PHE  22           H        PHE  22   4.673  -2.813  -1.370
  149    HA   PHE  22           HA       PHE  22   7.231  -1.463  -1.863
  150    HB2  PHE  22          1HB       PHE  22   7.734  -1.700   0.553
  151    HB3  PHE  22          2HB       PHE  22   6.361  -0.646   0.254
  152    HD1  PHE  22           HD1      PHE  22   7.525  -3.679   1.818
  153    HD2  PHE  22           HD2      PHE  22   4.061  -1.469   0.710
  154    HE1  PHE  22           HE1      PHE  22   6.176  -5.014   3.379
  155    HE2  PHE  22           HE2      PHE  22   2.708  -2.804   2.267
  156    HZ   PHE  22           HZ       PHE  22   3.763  -4.580   3.607
  157    H    ARG  23           H        ARG  23   8.983  -2.759  -2.044
  158    HA   ARG  23           HA       ARG  23   8.470  -5.648  -1.929
  159    HB2  ARG  23          1HB       ARG  23  10.728  -4.145  -3.265
  160    HB3  ARG  23          2HB       ARG  23  10.452  -5.876  -3.358
  161    HG2  ARG  23          1HG       ARG  23   8.460  -3.850  -4.347
  162    HG3  ARG  23          2HG       ARG  23   9.742  -4.515  -5.357
  163    HD2  ARG  23          1HD       ARG  23   7.665  -5.713  -5.726
  164    HD3  ARG  23          2HD       ARG  23   8.860  -6.772  -4.984
  165    HE   ARG  23           HE       ARG  23   7.105  -5.525  -3.079
  166   HH11  ARG  23          1HH1      ARG  23   7.462  -8.173  -5.321
  167   HH12  ARG  23          2HH1      ARG  23   6.393  -9.231  -4.456
  168   HH21  ARG  23          1HH2      ARG  23   5.680  -6.907  -1.923
  169   HH22  ARG  23          2HH2      ARG  23   5.373  -8.505  -2.522
  170    H    VAL  24           H        VAL  24   9.076  -6.593  -0.111
  171    HA   VAL  24           HA       VAL  24  10.743  -5.343   1.797
  172    HB   VAL  24           HB       VAL  24   8.966  -6.919   2.431
  173   HG11  VAL  24          1HG1      VAL  24   9.184  -8.565   0.668
  174   HG12  VAL  24          2HG1      VAL  24   9.317  -9.339   2.247
  175   HG13  VAL  24          3HG1      VAL  24  10.764  -9.047   1.283
  176   HG21  VAL  24          1HG2      VAL  24  11.709  -7.782   3.333
  177   HG22  VAL  24          2HG2      VAL  24  10.195  -8.118   4.172
  178   HG23  VAL  24          3HG2      VAL  24  10.760  -6.456   4.006
  179    H    ARG  25           H        ARG  25  11.358  -7.660  -0.747
  180    HA   ARG  25           HA       ARG  25  13.936  -8.472   0.122
  181    HB2  ARG  25          1HB       ARG  25  12.760  -8.401  -2.666
  182    HB3  ARG  25          2HB       ARG  25  14.243  -9.230  -2.223
  183    HG2  ARG  25          1HG       ARG  25  11.478  -9.863  -1.208
  184    HG3  ARG  25          2HG       ARG  25  12.401 -10.794  -2.388
  185    HD2  ARG  25          1HD       ARG  25  14.053 -11.358  -0.734
  186    HD3  ARG  25          2HD       ARG  25  13.309 -10.278   0.442
  187    HE   ARG  25           HE       ARG  25  11.414 -12.192  -0.365
  188   HH11  ARG  25          1HH1      ARG  25  14.417 -11.973   1.422
  189   HH12  ARG  25          2HH1      ARG  25  14.017 -13.270   2.504
  190   HH21  ARG  25          1HH2      ARG  25  10.887 -13.916   1.064
  191   HH22  ARG  25          2HH2      ARG  25  12.019 -14.374   2.299
  192    H    CYS  26           H        CYS  26  12.755  -5.831  -1.844
  193    HA   CYS  26           HA       CYS  26  15.330  -4.894  -2.634
  194    HB2  CYS  26          1HB       CYS  26  12.679  -3.434  -2.584
  195    HB3  CYS  26          2HB       CYS  26  14.121  -2.932  -3.459
  196    HG   CYS  26           HG       CYS  26  14.108  -5.096  -5.214
  197    H    CYS  27           H        CYS  27  13.343  -4.514   0.157
  198    HA   CYS  27           HA       CYS  27  14.727  -2.163   1.113
  199    HB2  CYS  27          1HB       CYS  27  12.780  -3.985   2.546
  200    HB3  CYS  27          2HB       CYS  27  13.331  -2.410   3.108
  201    HG   CYS  27           HG       CYS  27  11.390  -3.002   0.351
  202    H    ARG  28           H        ARG  28  14.807  -5.635   1.600
  203    HA   ARG  28           HA       ARG  28  16.556  -5.639   3.825
  204    HB2  ARG  28          1HB       ARG  28  15.920  -7.713   1.727
  205    HB3  ARG  28          2HB       ARG  28  17.087  -8.012   3.005
  206    HG2  ARG  28          1HG       ARG  28  14.196  -7.289   3.445
  207    HG3  ARG  28          2HG       ARG  28  14.859  -8.924   3.498
  208    HD2  ARG  28          1HD       ARG  28  15.670  -6.635   5.289
  209    HD3  ARG  28          2HD       ARG  28  14.619  -7.973   5.746
  210    HE   ARG  28           HE       ARG  28  16.692  -9.381   5.128
  211   HH11  ARG  28          1HH1      ARG  28  16.790  -6.198   6.598
  212   HH12  ARG  28          2HH1      ARG  28  18.267  -6.502   7.450
  213   HH21  ARG  28          1HH2      ARG  28  18.649  -9.771   6.235
  214   HH22  ARG  28          2HH2      ARG  28  19.323  -8.530   7.245
  215    H    ILE  29           H        ILE  29  17.135  -6.058   0.351
  216    HA   ILE  29           HA       ILE  29  19.921  -5.231   0.832
  217    HB   ILE  29           HB       ILE  29  18.926  -7.098  -1.336
  218   HG12  ILE  29          1HG1      ILE  29  20.671  -7.615   1.089
  219   HG13  ILE  29          2HG1      ILE  29  19.011  -8.167   0.872
  220   HG21  ILE  29          1HG2      ILE  29  21.728  -6.144  -0.723
  221   HG22  ILE  29          2HG2      ILE  29  20.754  -5.676  -2.117
  222   HG23  ILE  29          3HG2      ILE  29  21.292  -7.347  -1.936
  223   HD11  ILE  29          1HD1      ILE  29  21.385  -9.006  -0.779
  224   HD12  ILE  29          2HD1      ILE  29  19.724  -9.549  -1.014
  225   HD13  ILE  29          3HD1      ILE  29  20.585  -9.964   0.466
  226    H    ARG  30           H        ARG  30  19.889  -3.124   0.326
  227    HA   ARG  30           HA       ARG  30  18.455  -2.265  -2.077
  228    HB2  ARG  30          1HB       ARG  30  19.791  -0.527   0.004
  229    HB3  ARG  30          2HB       ARG  30  18.684  -0.006  -1.257
  230    HG2  ARG  30          1HG       ARG  30  16.928  -1.421  -0.168
  231    HG3  ARG  30          2HG       ARG  30  18.058  -1.667   1.165
  232    HD2  ARG  30          1HD       ARG  30  16.544   0.135   1.712
  233    HD3  ARG  30          2HD       ARG  30  18.170   0.777   1.483
  234    HE   ARG  30           HE       ARG  30  16.902   0.989  -0.967
  235   HH11  ARG  30          1HH1      ARG  30  16.435   2.237   2.267
  236   HH12  ARG  30          2HH1      ARG  30  15.662   3.690   1.734
  237   HH21  ARG  30          1HH2      ARG  30  15.886   2.902  -1.676
  238   HH22  ARG  30          2HH2      ARG  30  15.337   4.064  -0.512
  Start of MODEL    3
    1    H1   ASN   1          1H        ASN   1 -24.164  -7.937  13.814
    2    H2   ASN   1          2H        ASN   1 -24.680  -9.486  13.389
    3    H3   ASN   1          3H        ASN   1 -25.464  -8.134  12.753
    4    HA   ASN   1           HA       ASN   1 -22.678  -8.966  12.218
    5    HB2  ASN   1          1HB       ASN   1 -24.454 -10.317  11.108
    6    HB3  ASN   1          2HB       ASN   1 -25.077  -8.850  10.375
    7   HD21  ASN   1          1HD2      ASN   1 -21.656  -9.605  10.795
    8   HD22  ASN   1          2HD2      ASN   1 -21.313  -9.742   9.107
    9    H    GLY   2           H        GLY   2 -25.039  -6.440  12.227
   10    HA2  GLY   2          1HA       GLY   2 -24.510  -4.149  12.072
   11    HA3  GLY   2          2HA       GLY   2 -23.020  -4.573  11.237
   12    H    ALA   3           H        ALA   3 -24.198  -2.599  10.048
   13    HA   ALA   3           HA       ALA   3 -26.217  -3.295   8.178
   14    HB1  ALA   3          1HB       ALA   3 -25.705  -1.183   7.095
   15    HB2  ALA   3          2HB       ALA   3 -24.204  -1.052   8.009
   16    HB3  ALA   3          3HB       ALA   3 -25.754  -0.966   8.844
   17    H    ILE   4           H        ILE   4 -22.685  -3.077   7.998
   18    HA   ILE   4           HA       ILE   4 -22.569  -4.041   5.312
   19    HB   ILE   4           HB       ILE   4 -20.749  -2.673   6.183
   20   HG12  ILE   4          1HG1      ILE   4 -18.828  -4.120   5.514
   21   HG13  ILE   4          2HG1      ILE   4 -19.916  -5.509   5.537
   22   HG21  ILE   4          1HG2      ILE   4 -19.162  -3.527   7.843
   23   HG22  ILE   4          2HG2      ILE   4 -20.188  -4.941   8.086
   24   HG23  ILE   4          3HG2      ILE   4 -20.782  -3.337   8.511
   25   HD11  ILE   4          1HD1      ILE   4 -20.153  -3.100   3.745
   26   HD12  ILE   4          2HD1      ILE   4 -21.254  -4.477   3.772
   27   HD13  ILE   4          3HD1      ILE   4 -19.577  -4.699   3.280
   28    H    CYS   5           H        CYS   5 -23.183  -6.006   4.790
   29    HA   CYS   5           HA       CYS   5 -23.266  -8.060   6.845
   30    HB2  CYS   5          1HB       CYS   5 -24.411  -8.127   4.054
   31    HB3  CYS   5          2HB       CYS   5 -24.790  -9.221   5.378
   32    HG   CYS   5           HG       CYS   5 -25.343  -5.991   6.068
   33    H    TRP   6           H        TRP   6 -21.778  -7.487   3.682
   34    HA   TRP   6           HA       TRP   6 -20.074  -9.805   4.250
   35    HB2  TRP   6          1HB       TRP   6 -20.151 -10.614   2.025
   36    HB3  TRP   6          2HB       TRP   6 -21.819 -10.312   2.475
   37    HD1  TRP   6           HD1      TRP   6 -23.044  -8.206   1.258
   38    HE1  TRP   6           HE1      TRP   6 -22.559  -7.056  -0.993
   39    HE3  TRP   6           HE3      TRP   6 -18.318  -9.977   0.449
   40    HZ2  TRP   6           HZ2      TRP   6 -20.450  -6.933  -2.870
   41    HZ3  TRP   6           HZ3      TRP   6 -17.141  -9.301  -1.603
   42    HH2  TRP   6           HH2      TRP   6 -18.186  -7.813  -3.226
   43    H    GLY   7           H        GLY   7 -17.975  -9.437   4.119
   44    HA2  GLY   7          1HA       GLY   7 -15.967  -8.480   3.551
   45    HA3  GLY   7          2HA       GLY   7 -16.796  -7.643   2.250
   46    HA   PRO   8           HA       PRO   8 -17.090  -4.759   6.188
   47    HB2  PRO   8          1HB       PRO   8 -15.011  -5.997   7.890
   48    HB3  PRO   8          2HB       PRO   8 -16.593  -5.353   8.342
   49    HG2  PRO   8          1HG       PRO   8 -16.134  -7.980   8.319
   50    HG3  PRO   8          2HG       PRO   8 -17.693  -7.314   7.803
   51    HD2  PRO   8          1HD       PRO   8 -15.415  -8.308   6.131
   52    HD3  PRO   8          2HD       PRO   8 -17.159  -8.554   5.914
   53    H    CYS   9           H        CYS   9 -14.173  -6.427   5.261
   54    HA   CYS   9           HA       CYS   9 -12.883  -3.839   4.741
   55    HB2  CYS   9          1HB       CYS   9 -11.521  -6.438   5.494
   56    HB3  CYS   9          2HB       CYS   9 -10.721  -4.905   5.171
   57    HG   CYS   9           HG       CYS   9 -11.417  -3.654   7.436
   58    HA   PRO  10           HA       PRO  10 -13.666  -5.732   0.671
   59    HB2  PRO  10          1HB       PRO  10 -12.693  -3.068  -0.176
   60    HB3  PRO  10          2HB       PRO  10 -14.166  -3.925  -0.641
   61    HG2  PRO  10          1HG       PRO  10 -14.268  -1.843   1.018
   62    HG3  PRO  10          2HG       PRO  10 -15.310  -3.259   1.264
   63    HD2  PRO  10          1HD       PRO  10 -12.790  -2.489   2.692
   64    HD3  PRO  10          2HD       PRO  10 -14.290  -3.177   3.346
   65    H    THR  11           H        THR  11 -12.284  -6.883  -0.472
   66    HA   THR  11           HA       THR  11  -9.479  -6.765   0.022
   67    HB   THR  11           HB       THR  11 -10.876  -8.323  -2.165
   68    HG1  THR  11           HG1      THR  11 -10.544  -8.898   0.611
   69   HG21  THR  11          1HG2      THR  11  -9.017  -9.889  -1.866
   70   HG22  THR  11          2HG2      THR  11  -8.330  -8.846  -0.623
   71   HG23  THR  11          3HG2      THR  11  -8.425  -8.283  -2.290
   72    H    ALA  12           H        ALA  12 -11.633  -5.453  -2.329
   73    HA   ALA  12           HA       ALA  12  -9.932  -4.935  -4.467
   74    HB1  ALA  12          1HB       ALA  12 -12.358  -4.585  -4.530
   75    HB2  ALA  12          2HB       ALA  12 -11.477  -3.155  -5.070
   76    HB3  ALA  12          3HB       ALA  12 -12.179  -3.199  -3.454
   77    H    PHE  13           H        PHE  13 -10.506  -3.008  -1.535
   78    HA   PHE  13           HA       PHE  13  -8.756  -0.907  -2.312
   79    HB2  PHE  13          1HB       PHE  13  -9.960  -1.665   0.342
   80    HB3  PHE  13          2HB       PHE  13  -8.875  -0.296   0.155
   81    HD1  PHE  13           HD1      PHE  13 -12.209  -1.247   0.251
   82    HD2  PHE  13           HD2      PHE  13  -9.546   1.308  -1.858
   83    HE1  PHE  13           HE1      PHE  13 -14.106   0.149  -0.439
   84    HE2  PHE  13           HE2      PHE  13 -11.436   2.717  -2.549
   85    HZ   PHE  13           HZ       PHE  13 -13.723   2.139  -1.842
   86    H    ARG  14           H        ARG  14  -8.316  -3.958  -0.717
   87    HA   ARG  14           HA       ARG  14  -5.693  -3.417   0.280
   88    HB2  ARG  14          1HB       ARG  14  -7.089  -6.031  -0.320
   89    HB3  ARG  14          2HB       ARG  14  -5.517  -5.910   0.454
   90    HG2  ARG  14          1HG       ARG  14  -6.556  -4.640   2.296
   91    HG3  ARG  14          2HG       ARG  14  -8.127  -4.864   1.529
   92    HD2  ARG  14          1HD       ARG  14  -7.791  -6.501   3.306
   93    HD3  ARG  14          2HD       ARG  14  -7.880  -7.295   1.736
   94    HE   ARG  14           HE       ARG  14  -5.227  -6.970   2.064
   95   HH11  ARG  14          1HH1      ARG  14  -7.705  -8.272   4.166
   96   HH12  ARG  14          2HH1      ARG  14  -6.634  -9.396   4.939
   97   HH21  ARG  14          1HH2      ARG  14  -3.820  -8.450   3.074
   98   HH22  ARG  14          2HH2      ARG  14  -4.422  -9.505   4.314
   99    H    GLN  15           H        GLN  15  -7.007  -4.067  -2.781
  100    HA   GLN  15           HA       GLN  15  -4.486  -4.921  -3.943
  101    HB2  GLN  15          1HB       GLN  15  -6.541  -5.933  -4.787
  102    HB3  GLN  15          2HB       GLN  15  -7.183  -4.351  -5.194
  103    HG2  GLN  15          1HG       GLN  15  -5.435  -4.054  -6.856
  104    HG3  GLN  15          2HG       GLN  15  -4.757  -5.623  -6.432
  105   HE21  GLN  15          1HE2      GLN  15  -5.809  -4.633  -8.979
  106   HE22  GLN  15          2HE2      GLN  15  -7.061  -5.733  -9.432
  107    H    ILE  16           H        ILE  16  -6.521  -2.090  -3.674
  108    HA   ILE  16           HA       ILE  16  -5.033  -0.509  -5.537
  109    HB   ILE  16           HB       ILE  16  -6.908   0.394  -3.337
  110   HG12  ILE  16          1HG1      ILE  16  -8.041  -1.048  -4.968
  111   HG13  ILE  16          2HG1      ILE  16  -8.581   0.619  -5.139
  112   HG21  ILE  16          1HG2      ILE  16  -5.856   1.898  -5.734
  113   HG22  ILE  16          2HG2      ILE  16  -5.394   2.166  -4.053
  114   HG23  ILE  16          3HG2      ILE  16  -7.044   2.498  -4.576
  115   HD11  ILE  16          1HD1      ILE  16  -7.098   0.886  -7.071
  116   HD12  ILE  16          2HD1      ILE  16  -8.269  -0.413  -7.304
  117   HD13  ILE  16          3HD1      ILE  16  -6.594  -0.796  -6.906
  118    H    GLY  17           H        GLY  17  -5.211  -0.693  -1.994
  119    HA2  GLY  17          1HA       GLY  17  -3.117  -0.787  -0.767
  120    HA3  GLY  17          2HA       GLY  17  -2.454   0.355  -1.924
  121    H    ASN  18           H        ASN  18  -3.443   0.094   1.150
  122    HA   ASN  18           HA       ASN  18  -4.028   2.978   1.269
  123    HB2  ASN  18          1HB       ASN  18  -5.211   0.800   3.007
  124    HB3  ASN  18          2HB       ASN  18  -5.372   2.519   3.329
  125   HD21  ASN  18          1HD2      ASN  18  -6.644   3.788   1.939
  126   HD22  ASN  18          2HD2      ASN  18  -7.830   3.074   0.909
  127    H    CYS  19           H        CYS  19  -2.931   0.197   3.195
  128    HA   CYS  19           HA       CYS  19  -1.483   1.935   4.997
  129    HB2  CYS  19          1HB       CYS  19  -1.565  -1.085   4.906
  130    HB3  CYS  19          2HB       CYS  19  -0.997  -0.087   6.241
  131    HG   CYS  19           HG       CYS  19  -3.252  -0.193   7.442
  132    H    GLY  20           H        GLY  20  -0.242   2.648   2.957
  133    HA2  GLY  20          1HA       GLY  20   1.789   2.795   1.904
  134    HA3  GLY  20          2HA       GLY  20   2.426   1.932   3.295
  135    H    ARG  21           H        ARG  21   0.393   1.153   0.474
  136    HA   ARG  21           HA       ARG  21   1.848  -1.379   0.243
  137    HB2  ARG  21          1HB       ARG  21  -0.754  -0.479  -0.995
  138    HB3  ARG  21          2HB       ARG  21   0.001  -2.037  -1.295
  139    HG2  ARG  21          1HG       ARG  21  -0.866  -1.071   1.422
  140    HG3  ARG  21          2HG       ARG  21  -1.839  -2.099   0.371
  141    HD2  ARG  21          1HD       ARG  21  -0.721  -3.478   1.996
  142    HD3  ARG  21          2HD       ARG  21  -0.017  -3.783   0.409
  143    HE   ARG  21           HE       ARG  21   1.359  -1.828   2.059
  144   HH11  ARG  21          1HH1      ARG  21   1.150  -5.167   1.033
  145   HH12  ARG  21          2HH1      ARG  21   2.799  -5.523   1.426
  146   HH21  ARG  21          1HH2      ARG  21   3.544  -2.292   2.557
  147   HH22  ARG  21          2HH2      ARG  21   4.164  -3.889   2.285
  148    H    PHE  22           H        PHE  22   2.427   1.514  -0.746
  149    HA   PHE  22           HA       PHE  22   3.027   0.960  -3.528
  150    HB2  PHE  22          1HB       PHE  22   3.968   3.248  -3.532
  151    HB3  PHE  22          2HB       PHE  22   2.313   3.227  -2.942
  152    HD1  PHE  22           HD1      PHE  22   5.800   3.825  -2.104
  153    HD2  PHE  22           HD2      PHE  22   1.826   3.666  -0.594
  154    HE1  PHE  22           HE1      PHE  22   6.522   5.031  -0.088
  155    HE2  PHE  22           HE2      PHE  22   2.542   4.866   1.426
  156    HZ   PHE  22           HZ       PHE  22   4.892   5.553   1.684
  157    H    ARG  23           H        ARG  23   5.251   1.080  -4.313
  158    HA   ARG  23           HA       ARG  23   6.991  -0.333  -2.469
  159    HB2  ARG  23          1HB       ARG  23   8.483  -0.564  -4.492
  160    HB3  ARG  23          2HB       ARG  23   6.909  -1.335  -4.610
  161    HG2  ARG  23          1HG       ARG  23   6.090   0.353  -6.051
  162    HG3  ARG  23          2HG       ARG  23   7.490   1.384  -5.749
  163    HD2  ARG  23          1HD       ARG  23   7.561   0.212  -7.940
  164    HD3  ARG  23          2HD       ARG  23   8.937  -0.144  -6.898
  165    HE   ARG  23           HE       ARG  23   6.770  -2.039  -6.699
  166   HH11  ARG  23          1HH1      ARG  23   9.722  -1.169  -8.358
  167   HH12  ARG  23          2HH1      ARG  23  10.046  -2.788  -8.894
  168   HH21  ARG  23          1HH2      ARG  23   7.205  -4.176  -7.385
  169   HH22  ARG  23          2HH2      ARG  23   8.625  -4.500  -8.328
  170    H    VAL  24           H        VAL  24   8.447   0.609  -1.303
  171    HA   VAL  24           HA       VAL  24   8.942   3.398  -1.423
  172    HB   VAL  24           HB       VAL  24  10.557   1.331   0.075
  173   HG11  VAL  24          1HG1      VAL  24  10.116   4.271   0.576
  174   HG12  VAL  24          2HG1      VAL  24  11.600   3.522  -0.008
  175   HG13  VAL  24          3HG1      VAL  24  11.022   3.178   1.621
  176   HG21  VAL  24          1HG2      VAL  24   8.037   2.754   0.924
  177   HG22  VAL  24          2HG2      VAL  24   9.059   1.784   1.981
  178   HG23  VAL  24          3HG2      VAL  24   8.221   1.026   0.629
  179    H    ARG  25           H        ARG  25  10.463   0.612  -2.792
  180    HA   ARG  25           HA       ARG  25  13.015   1.667  -3.312
  181    HB2  ARG  25          1HB       ARG  25  12.389  -0.747  -3.461
  182    HB3  ARG  25          2HB       ARG  25  11.495  -0.387  -4.931
  183    HG2  ARG  25          1HG       ARG  25  13.501   0.214  -6.085
  184    HG3  ARG  25          2HG       ARG  25  14.446   0.102  -4.598
  185    HD2  ARG  25          1HD       ARG  25  13.042  -2.181  -5.990
  186    HD3  ARG  25          2HD       ARG  25  14.777  -1.873  -6.000
  187    HE   ARG  25           HE       ARG  25  13.671  -2.144  -3.357
  188   HH11  ARG  25          1HH1      ARG  25  15.024  -3.864  -6.092
  189   HH12  ARG  25          2HH1      ARG  25  15.482  -5.246  -5.150
  190   HH21  ARG  25          1HH2      ARG  25  14.261  -3.961  -2.129
  191   HH22  ARG  25          2HH2      ARG  25  15.039  -5.305  -2.904
  192    H    CYS  26           H        CYS  26   9.957   2.288  -4.748
  193    HA   CYS  26           HA       CYS  26  11.102   3.461  -7.141
  194    HB2  CYS  26          1HB       CYS  26   8.894   2.323  -7.213
  195    HB3  CYS  26          2HB       CYS  26   8.249   3.546  -6.124
  196    HG   CYS  26           HG       CYS  26   8.017   5.511  -7.861
  197    H    CYS  27           H        CYS  27   9.717   4.479  -4.067
  198    HA   CYS  27           HA       CYS  27   9.640   7.253  -4.722
  199    HB2  CYS  27          1HB       CYS  27   9.569   5.931  -2.003
  200    HB3  CYS  27          2HB       CYS  27   9.089   7.586  -2.368
  201    HG   CYS  27           HG       CYS  27   7.132   6.413  -4.310
  202    H    ARG  28           H        ARG  28  12.057   5.147  -3.338
  203    HA   ARG  28           HA       ARG  28  13.694   7.168  -2.215
  204    HB2  ARG  28          1HB       ARG  28  15.460   5.448  -2.163
  205    HB3  ARG  28          2HB       ARG  28  13.937   4.831  -1.545
  206    HG2  ARG  28          1HG       ARG  28  14.650   3.082  -2.842
  207    HG3  ARG  28          2HG       ARG  28  13.618   3.951  -3.975
  208    HD2  ARG  28          1HD       ARG  28  15.772   5.148  -4.706
  209    HD3  ARG  28          2HD       ARG  28  16.617   3.862  -3.846
  210    HE   ARG  28           HE       ARG  28  14.680   2.833  -5.679
  211   HH11  ARG  28          1HH1      ARG  28  17.926   4.127  -5.451
  212   HH12  ARG  28          2HH1      ARG  28  18.475   3.353  -6.902
  213   HH21  ARG  28          1HH2      ARG  28  15.401   1.812  -7.594
  214   HH22  ARG  28          2HH2      ARG  28  17.043   2.028  -8.114
  215    H    ILE  29           H        ILE  29  13.036   6.338  -5.418
  216    HA   ILE  29           HA       ILE  29  15.388   7.855  -6.329
  217    HB   ILE  29           HB       ILE  29  15.464   5.385  -6.876
  218   HG12  ILE  29          1HG1      ILE  29  15.352   7.252  -9.256
  219   HG13  ILE  29          2HG1      ILE  29  16.728   7.064  -8.176
  220   HG21  ILE  29          1HG2      ILE  29  13.098   5.023  -7.278
  221   HG22  ILE  29          2HG2      ILE  29  14.042   4.562  -8.696
  222   HG23  ILE  29          3HG2      ILE  29  13.155   6.087  -8.684
  223   HD11  ILE  29          1HD1      ILE  29  17.049   5.837 -10.243
  224   HD12  ILE  29          2HD1      ILE  29  15.575   4.918  -9.942
  225   HD13  ILE  29          3HD1      ILE  29  16.960   4.741  -8.865
  226    H    ARG  30           H        ARG  30  12.417   8.372  -5.685
  227    HA   ARG  30           HA       ARG  30  11.941  10.133  -7.929
  228    HB2  ARG  30          1HB       ARG  30  10.892   7.975  -8.610
  229    HB3  ARG  30          2HB       ARG  30   9.882   8.046  -7.172
  230    HG2  ARG  30          1HG       ARG  30   8.632   8.774  -9.093
  231    HG3  ARG  30          2HG       ARG  30   8.882  10.130  -7.995
  232    HD2  ARG  30          1HD       ARG  30   9.221  10.788 -10.324
  233    HD3  ARG  30          2HD       ARG  30  10.702  10.948  -9.384
  234    HE   ARG  30           HE       ARG  30  10.545   8.420 -10.707
  235   HH11  ARG  30          1HH1      ARG  30  11.285  11.801 -11.189
  236   HH12  ARG  30          2HH1      ARG  30  12.366  11.516 -12.515
  237   HH21  ARG  30          1HH2      ARG  30  11.956   8.032 -12.478
  238   HH22  ARG  30          2HH2      ARG  30  12.739   9.371 -13.253
  Start of MODEL    4
    1    H1   ASN   1          1H        ASN   1  -9.748 -14.955  -3.243
    2    H2   ASN   1          2H        ASN   1 -11.250 -14.192  -3.137
    3    H3   ASN   1          3H        ASN   1 -10.254 -13.910  -4.474
    4    HA   ASN   1           HA       ASN   1 -12.055 -15.405  -5.046
    5    HB2  ASN   1          1HB       ASN   1  -9.485 -16.993  -4.892
    6    HB3  ASN   1          2HB       ASN   1 -10.756 -17.128  -6.095
    7   HD21  ASN   1          1HD2      ASN   1  -7.962 -15.398  -5.062
    8   HD22  ASN   1          2HD2      ASN   1  -7.797 -14.405  -6.471
    9    H    GLY   2           H        GLY   2 -12.393 -17.964  -4.933
   10    HA2  GLY   2          1HA       GLY   2 -12.957 -19.820  -3.719
   11    HA3  GLY   2          2HA       GLY   2 -11.751 -19.325  -2.546
   12    H    ALA   3           H        ALA   3 -12.413 -18.612  -0.620
   13    HA   ALA   3           HA       ALA   3 -15.295 -18.569  -0.155
   14    HB1  ALA   3          1HB       ALA   3 -14.726 -18.759   2.204
   15    HB2  ALA   3          2HB       ALA   3 -13.014 -18.582   1.820
   16    HB3  ALA   3          3HB       ALA   3 -13.900 -20.002   1.263
   17    H    ILE   4           H        ILE   4 -12.717 -16.400  -0.562
   18    HA   ILE   4           HA       ILE   4 -13.960 -14.328   1.070
   19    HB   ILE   4           HB       ILE   4 -11.378 -14.271  -0.510
   20   HG12  ILE   4          1HG1      ILE   4 -10.447 -13.990   1.891
   21   HG13  ILE   4          2HG1      ILE   4 -12.015 -14.594   2.422
   22   HG21  ILE   4          1HG2      ILE   4 -12.543 -12.164   1.315
   23   HG22  ILE   4          2HG2      ILE   4 -12.384 -12.051  -0.437
   24   HG23  ILE   4          3HG2      ILE   4 -10.942 -12.117   0.576
   25   HD11  ILE   4          1HD1      ILE   4 -11.632 -16.663   1.174
   26   HD12  ILE   4          2HD1      ILE   4 -10.367 -16.367   2.366
   27   HD13  ILE   4          3HD1      ILE   4 -10.058 -16.056   0.659
   28    H    CYS   5           H        CYS   5 -15.812 -13.871  -0.027
   29    HA   CYS   5           HA       CYS   5 -15.474 -12.622  -2.673
   30    HB2  CYS   5          1HB       CYS   5 -16.942 -14.593  -2.711
   31    HB3  CYS   5          2HB       CYS   5 -17.952 -13.872  -1.466
   32    HG   CYS   5           HG       CYS   5 -19.504 -13.485  -3.596
   33    H    TRP   6           H        TRP   6 -16.889 -12.370   0.518
   34    HA   TRP   6           HA       TRP   6 -17.110  -9.474   0.154
   35    HB2  TRP   6          1HB       TRP   6 -19.362 -10.512  -0.155
   36    HB3  TRP   6          2HB       TRP   6 -19.237 -11.191   1.459
   37    HD1  TRP   6           HD1      TRP   6 -19.278  -9.397   3.528
   38    HE1  TRP   6           HE1      TRP   6 -20.427  -7.100   3.701
   39    HE3  TRP   6           HE3      TRP   6 -20.031  -8.488  -1.446
   40    HZ2  TRP   6           HZ2      TRP   6 -21.517  -5.166   1.956
   41    HZ3  TRP   6           HZ3      TRP   6 -21.138  -6.395  -2.106
   42    HH2  TRP   6           HH2      TRP   6 -21.864  -4.772  -0.439
   43    H    GLY   7           H        GLY   7 -15.828  -8.590   1.655
   44    HA2  GLY   7          1HA       GLY   7 -15.647  -9.943   4.272
   45    HA3  GLY   7          2HA       GLY   7 -14.264  -9.184   3.500
   46    HA   PRO   8           HA       PRO   8 -16.689  -6.171   6.365
   47    HB2  PRO   8          1HB       PRO   8 -14.218  -6.406   7.983
   48    HB3  PRO   8          2HB       PRO   8 -15.903  -6.354   8.509
   49    HG2  PRO   8          1HG       PRO   8 -14.511  -8.628   8.589
   50    HG3  PRO   8          2HG       PRO   8 -16.227  -8.615   8.142
   51    HD2  PRO   8          1HD       PRO   8 -13.815  -8.848   6.383
   52    HD3  PRO   8          2HD       PRO   8 -15.369  -9.699   6.283
   53    H    CYS   9           H        CYS   9 -13.459  -6.584   5.156
   54    HA   CYS   9           HA       CYS   9 -13.239  -3.677   4.743
   55    HB2  CYS   9          1HB       CYS   9 -11.008  -5.719   4.829
   56    HB3  CYS   9          2HB       CYS   9 -10.825  -3.977   4.688
   57    HG   CYS   9           HG       CYS   9 -12.569  -4.638   7.385
   58    HA   PRO  10           HA       PRO  10 -13.782  -4.536   0.405
   59    HB2  PRO  10          1HB       PRO  10 -11.988  -2.210   0.023
   60    HB3  PRO  10          2HB       PRO  10 -13.618  -2.484  -0.599
   61    HG2  PRO  10          1HG       PRO  10 -13.165  -0.759   1.384
   62    HG3  PRO  10          2HG       PRO  10 -14.624  -1.765   1.347
   63    HD2  PRO  10          1HD       PRO  10 -12.156  -2.061   2.997
   64    HD3  PRO  10          2HD       PRO  10 -13.847  -2.380   3.426
   65    H    THR  11           H        THR  11 -12.723  -6.156  -0.514
   66    HA   THR  11           HA       THR  11 -10.007  -6.759  -0.128
   67    HB   THR  11           HB       THR  11 -11.737  -7.702  -2.421
   68    HG1  THR  11           HG1      THR  11 -12.782  -8.919  -1.028
   69   HG21  THR  11          1HG2      THR  11 -10.341  -9.722  -2.277
   70   HG22  THR  11          2HG2      THR  11  -9.395  -8.972  -0.992
   71   HG23  THR  11          3HG2      THR  11  -9.371  -8.289  -2.619
   72    H    ALA  12           H        ALA  12 -11.740  -5.133  -2.728
   73    HA   ALA  12           HA       ALA  12  -9.629  -4.846  -4.540
   74    HB1  ALA  12          1HB       ALA  12 -10.933  -3.030  -5.516
   75    HB2  ALA  12          2HB       ALA  12 -11.955  -2.982  -4.080
   76    HB3  ALA  12          3HB       ALA  12 -11.964  -4.405  -5.122
   77    H    PHE  13           H        PHE  13 -10.645  -2.800  -1.837
   78    HA   PHE  13           HA       PHE  13  -8.793  -0.719  -2.338
   79    HB2  PHE  13          1HB       PHE  13 -10.854  -0.551  -0.900
   80    HB3  PHE  13          2HB       PHE  13  -9.992  -1.461   0.334
   81    HD1  PHE  13           HD1      PHE  13  -9.798   1.632  -1.702
   82    HD2  PHE  13           HD2      PHE  13  -8.653  -0.362   1.874
   83    HE1  PHE  13           HE1      PHE  13  -8.834   3.725  -0.849
   84    HE2  PHE  13           HE2      PHE  13  -7.688   1.724   2.735
   85    HZ   PHE  13           HZ       PHE  13  -7.775   3.776   1.374
   86    H    ARG  14           H        ARG  14  -8.624  -3.739  -0.586
   87    HA   ARG  14           HA       ARG  14  -6.118  -3.266   0.679
   88    HB2  ARG  14          1HB       ARG  14  -7.623  -5.795   0.010
   89    HB3  ARG  14          2HB       ARG  14  -6.065  -5.814   0.821
   90    HG2  ARG  14          1HG       ARG  14  -7.004  -4.515   2.662
   91    HG3  ARG  14          2HG       ARG  14  -8.566  -4.482   1.843
   92    HD2  ARG  14          1HD       ARG  14  -8.797  -6.864   2.044
   93    HD3  ARG  14          2HD       ARG  14  -7.146  -7.024   2.644
   94    HE   ARG  14           HE       ARG  14  -8.545  -5.312   4.357
   95   HH11  ARG  14          1HH1      ARG  14  -8.563  -8.687   3.418
   96   HH12  ARG  14          2HH1      ARG  14  -9.122  -9.240   4.963
   97   HH21  ARG  14          1HH2      ARG  14  -9.272  -6.045   6.389
   98   HH22  ARG  14          2HH2      ARG  14  -9.553  -7.738   6.641
   99    H    GLN  15           H        GLN  15  -7.077  -4.284  -2.486
  100    HA   GLN  15           HA       GLN  15  -4.495  -5.375  -3.178
  101    HB2  GLN  15          1HB       GLN  15  -7.009  -4.890  -4.775
  102    HB3  GLN  15          2HB       GLN  15  -5.539  -5.543  -5.475
  103    HG2  GLN  15          1HG       GLN  15  -7.060  -6.785  -3.199
  104    HG3  GLN  15          2HG       GLN  15  -7.185  -7.270  -4.889
  105   HE21  GLN  15          1HE2      GLN  15  -4.394  -6.932  -5.476
  106   HE22  GLN  15          2HE2      GLN  15  -3.559  -8.226  -4.695
  107    H    ILE  16           H        ILE  16  -6.335  -2.447  -3.795
  108    HA   ILE  16           HA       ILE  16  -4.389  -1.394  -5.633
  109    HB   ILE  16           HB       ILE  16  -6.696   0.027  -4.285
  110   HG12  ILE  16          1HG1      ILE  16  -6.550  -1.302  -7.006
  111   HG13  ILE  16          2HG1      ILE  16  -7.443  -1.918  -5.618
  112   HG21  ILE  16          1HG2      ILE  16  -5.062   0.751  -6.719
  113   HG22  ILE  16          2HG2      ILE  16  -5.040   1.572  -5.160
  114   HG23  ILE  16          3HG2      ILE  16  -6.494   1.614  -6.158
  115   HD11  ILE  16          1HD1      ILE  16  -8.913  -0.821  -7.206
  116   HD12  ILE  16          2HD1      ILE  16  -7.988   0.670  -7.049
  117   HD13  ILE  16          3HD1      ILE  16  -8.887   0.042  -5.669
  118    H    GLY  17           H        GLY  17  -5.173  -1.042  -2.231
  119    HA2  GLY  17          1HA       GLY  17  -3.658   1.284  -1.719
  120    HA3  GLY  17          2HA       GLY  17  -4.168   0.106  -0.523
  121    H    ASN  18           H        ASN  18  -1.593   1.307  -2.407
  122    HA   ASN  18           HA       ASN  18   0.218  -0.679  -1.205
  123    HB2  ASN  18          1HB       ASN  18   0.426   0.631  -3.923
  124    HB3  ASN  18          2HB       ASN  18   1.714  -0.307  -3.187
  125   HD21  ASN  18          1HD2      ASN  18  -0.154  -2.262  -2.034
  126   HD22  ASN  18          2HD2      ASN  18  -0.685  -3.230  -3.357
  127    H    CYS  19           H        CYS  19   1.555   0.220   0.220
  128    HA   CYS  19           HA       CYS  19   1.862   2.995   0.581
  129    HB2  CYS  19          1HB       CYS  19   3.676   0.756   1.507
  130    HB3  CYS  19          2HB       CYS  19   3.669   2.401   2.135
  131    HG   CYS  19           HG       CYS  19   0.624   1.379   2.415
  132    H    GLY  20           H        GLY  20   2.820   4.325  -0.795
  133    HA2  GLY  20          1HA       GLY  20   5.053   4.919  -1.758
  134    HA3  GLY  20          2HA       GLY  20   5.055   3.290  -2.427
  135    H    ARG  21           H        ARG  21   2.338   3.165  -3.153
  136    HA   ARG  21           HA       ARG  21   2.293   4.908  -5.483
  137    HB2  ARG  21          1HB       ARG  21   0.423   2.710  -4.569
  138    HB3  ARG  21          2HB       ARG  21   0.197   3.640  -6.042
  139    HG2  ARG  21          1HG       ARG  21   2.646   1.989  -5.475
  140    HG3  ARG  21          2HG       ARG  21   1.234   1.384  -6.341
  141    HD2  ARG  21          1HD       ARG  21   2.839   2.072  -7.968
  142    HD3  ARG  21          2HD       ARG  21   1.534   3.252  -7.973
  143    HE   ARG  21           HE       ARG  21   4.013   3.777  -6.479
  144   HH11  ARG  21          1HH1      ARG  21   1.715   4.665  -8.975
  145   HH12  ARG  21          2HH1      ARG  21   2.469   6.189  -9.302
  146   HH21  ARG  21          1HH2      ARG  21   4.997   5.789  -6.907
  147   HH22  ARG  21          2HH2      ARG  21   4.332   6.836  -8.121
  148    H    PHE  22           H        PHE  22   0.760   4.434  -2.423
  149    HA   PHE  22           HA       PHE  22  -0.674   6.978  -2.770
  150    HB2  PHE  22          1HB       PHE  22  -1.263   4.648  -0.928
  151    HB3  PHE  22          2HB       PHE  22  -2.100   6.194  -0.866
  152    HD1  PHE  22           HD1      PHE  22  -3.771   6.762  -2.467
  153    HD2  PHE  22           HD2      PHE  22  -1.551   3.157  -2.847
  154    HE1  PHE  22           HE1      PHE  22  -5.354   5.974  -4.170
  155    HE2  PHE  22           HE2      PHE  22  -3.127   2.361  -4.551
  156    HZ   PHE  22           HZ       PHE  22  -5.034   3.770  -5.220
  157    H    ARG  23           H        ARG  23   0.747   8.445  -2.074
  158    HA   ARG  23           HA       ARG  23   2.385   7.816   0.260
  159    HB2  ARG  23          1HB       ARG  23   3.699   9.846  -0.466
  160    HB3  ARG  23          2HB       ARG  23   3.725   8.484  -1.579
  161    HG2  ARG  23          1HG       ARG  23   2.001   9.598  -2.942
  162    HG3  ARG  23          2HG       ARG  23   2.056  10.977  -1.844
  163    HD2  ARG  23          1HD       ARG  23   4.398  11.346  -2.400
  164    HD3  ARG  23          2HD       ARG  23   4.381   9.938  -3.462
  165    HE   ARG  23           HE       ARG  23   2.410  11.948  -4.098
  166   HH11  ARG  23          1HH1      ARG  23   5.665  10.806  -4.652
  167   HH12  ARG  23          2HH1      ARG  23   5.823  11.613  -6.177
  168   HH21  ARG  23          1HH2      ARG  23   2.612  13.026  -6.099
  169   HH22  ARG  23          2HH2      ARG  23   4.087  12.875  -7.002
  170    H    VAL  24           H        VAL  24   0.946   8.165   1.879
  171    HA   VAL  24           HA       VAL  24  -0.487  10.676   2.066
  172    HB   VAL  24           HB       VAL  24  -1.433   9.759   4.143
  173   HG11  VAL  24          1HG1      VAL  24  -1.510   7.851   1.808
  174   HG12  VAL  24          2HG1      VAL  24  -2.535   9.268   2.037
  175   HG13  VAL  24          3HG1      VAL  24  -2.674   7.892   3.132
  176   HG21  VAL  24          1HG2      VAL  24   0.519   8.478   4.892
  177   HG22  VAL  24          2HG2      VAL  24   0.264   7.329   3.578
  178   HG23  VAL  24          3HG2      VAL  24  -0.939   7.485   4.856
  179    H    ARG  25           H        ARG  25   2.503   9.419   3.028
  180    HA   ARG  25           HA       ARG  25   2.781  11.055   5.394
  181    HB2  ARG  25          1HB       ARG  25   3.787   8.725   5.014
  182    HB3  ARG  25          2HB       ARG  25   4.964   9.525   3.985
  183    HG2  ARG  25          1HG       ARG  25   5.887   9.185   6.174
  184    HG3  ARG  25          2HG       ARG  25   5.654  10.914   5.894
  185    HD2  ARG  25          1HD       ARG  25   4.955  10.203   8.160
  186    HD3  ARG  25          2HD       ARG  25   3.636  10.900   7.221
  187    HE   ARG  25           HE       ARG  25   3.892   7.991   7.205
  188   HH11  ARG  25          1HH1      ARG  25   2.257  10.825   8.459
  189   HH12  ARG  25          2HH1      ARG  25   0.876   9.936   9.014
  190   HH21  ARG  25          1HH2      ARG  25   2.071   6.823   7.946
  191   HH22  ARG  25          2HH2      ARG  25   0.769   7.666   8.725
  192    H    CYS  26           H        CYS  26   3.229  11.460   2.058
  193    HA   CYS  26           HA       CYS  26   5.496  13.242   2.265
  194    HB2  CYS  26          1HB       CYS  26   3.792  12.552  -0.135
  195    HB3  CYS  26          2HB       CYS  26   5.327  13.412  -0.169
  196    HG   CYS  26           HG       CYS  26   6.561  11.051   1.141
  197    H    CYS  27           H        CYS  27   2.280  13.658   2.873
  198    HA   CYS  27           HA       CYS  27   1.782  16.109   1.489
  199    HB2  CYS  27          1HB       CYS  27  -0.209  16.250   2.966
  200    HB3  CYS  27          2HB       CYS  27  -0.069  14.690   2.161
  201    HG   CYS  27           HG       CYS  27  -0.027  13.228   4.279
  202    H    ARG  28           H        ARG  28   3.711  15.384   4.107
  203    HA   ARG  28           HA       ARG  28   3.301  17.956   5.427
  204    HB2  ARG  28          1HB       ARG  28   4.718  17.061   7.212
  205    HB3  ARG  28          2HB       ARG  28   3.401  15.955   6.847
  206    HG2  ARG  28          1HG       ARG  28   4.963  14.622   5.470
  207    HG3  ARG  28          2HG       ARG  28   6.268  15.692   5.986
  208    HD2  ARG  28          1HD       ARG  28   5.878  15.068   8.306
  209    HD3  ARG  28          2HD       ARG  28   4.542  14.028   7.813
  210    HE   ARG  28           HE       ARG  28   6.744  13.174   6.385
  211   HH11  ARG  28          1HH1      ARG  28   5.822  13.432   9.753
  212   HH12  ARG  28          2HH1      ARG  28   6.829  12.110  10.256
  213   HH21  ARG  28          1HH2      ARG  28   8.056  11.439   7.032
  214   HH22  ARG  28          2HH2      ARG  28   8.096  10.973   8.703
  215    H    ILE  29           H        ILE  29   5.232  16.662   3.018
  216    HA   ILE  29           HA       ILE  29   7.318  18.670   3.543
  217    HB   ILE  29           HB       ILE  29   8.881  17.130   2.240
  218   HG12  ILE  29          1HG1      ILE  29   6.813  15.066   3.035
  219   HG13  ILE  29          2HG1      ILE  29   7.100  15.622   1.389
  220   HG21  ILE  29          1HG2      ILE  29   9.143  17.522   4.612
  221   HG22  ILE  29          2HG2      ILE  29   9.449  15.822   4.252
  222   HG23  ILE  29          3HG2      ILE  29   7.917  16.309   4.977
  223   HD11  ILE  29          1HD1      ILE  29   8.169  13.484   1.793
  224   HD12  ILE  29          2HD1      ILE  29   9.076  14.176   3.138
  225   HD13  ILE  29          3HD1      ILE  29   9.374  14.735   1.493
  226    H    ARG  30           H        ARG  30   7.766  20.034   1.963
  227    HA   ARG  30           HA       ARG  30   7.440  19.487  -0.801
  228    HB2  ARG  30          1HB       ARG  30   5.053  19.817  -0.205
  229    HB3  ARG  30          2HB       ARG  30   5.446  21.408   0.430
  230    HG2  ARG  30          1HG       ARG  30   6.112  22.156  -1.772
  231    HG3  ARG  30          2HG       ARG  30   5.809  20.549  -2.433
  232    HD2  ARG  30          1HD       ARG  30   3.759  22.390  -1.198
  233    HD3  ARG  30          2HD       ARG  30   3.953  22.052  -2.918
  234    HE   ARG  30           HE       ARG  30   3.563  19.592  -1.849
  235   HH11  ARG  30          1HH1      ARG  30   1.806  22.610  -1.615
  236   HH12  ARG  30          2HH1      ARG  30   0.269  21.843  -1.378
  237   HH21  ARG  30          1HH2      ARG  30   1.539  18.580  -1.545
  238   HH22  ARG  30          2HH2      ARG  30   0.113  19.549  -1.354
  Start of MODEL    5
    1    H1   ASN   1          1H        ASN   1 -12.901 -17.673   0.756
    2    H2   ASN   1          2H        ASN   1 -13.078 -18.903  -0.386
    3    H3   ASN   1          3H        ASN   1 -11.545 -18.525   0.210
    4    HA   ASN   1           HA       ASN   1 -12.404 -20.558   1.190
    5    HB2  ASN   1          1HB       ASN   1 -12.134 -18.184   3.038
    6    HB3  ASN   1          2HB       ASN   1 -12.136 -19.854   3.586
    7   HD21  ASN   1          1HD2      ASN   1 -10.343 -21.128   3.233
    8   HD22  ASN   1          2HD2      ASN   1  -8.841 -20.496   2.657
    9    H    GLY   2           H        GLY   2 -14.710 -20.183   0.070
   10    HA2  GLY   2          1HA       GLY   2 -16.821 -21.066   0.813
   11    HA3  GLY   2          2HA       GLY   2 -16.605 -20.188   2.320
   12    H    ALA   3           H        ALA   3 -18.820 -19.473   1.833
   13    HA   ALA   3           HA       ALA   3 -19.152 -17.600  -0.352
   14    HB1  ALA   3          1HB       ALA   3 -21.047 -18.337   1.875
   15    HB2  ALA   3          2HB       ALA   3 -20.983 -19.097   0.286
   16    HB3  ALA   3          3HB       ALA   3 -21.446 -17.401   0.434
   17    H    ILE   4           H        ILE   4 -18.849 -17.533   3.153
   18    HA   ILE   4           HA       ILE   4 -19.248 -14.668   3.267
   19    HB   ILE   4           HB       ILE   4 -18.363 -16.535   5.478
   20   HG12  ILE   4          1HG1      ILE   4 -21.146 -15.581   4.742
   21   HG13  ILE   4          2HG1      ILE   4 -20.538 -17.226   4.543
   22   HG21  ILE   4          1HG2      ILE   4 -19.190 -14.765   6.968
   23   HG22  ILE   4          2HG2      ILE   4 -19.558 -13.761   5.565
   24   HG23  ILE   4          3HG2      ILE   4 -17.887 -14.187   5.929
   25   HD11  ILE   4          1HD1      ILE   4 -20.301 -17.421   6.968
   26   HD12  ILE   4          2HD1      ILE   4 -21.958 -17.048   6.495
   27   HD13  ILE   4          3HD1      ILE   4 -20.925 -15.781   7.157
   28    H    CYS   5           H        CYS   5 -17.705 -13.180   3.245
   29    HA   CYS   5           HA       CYS   5 -15.004 -13.971   2.655
   30    HB2  CYS   5          1HB       CYS   5 -16.151 -12.104   1.491
   31    HB3  CYS   5          2HB       CYS   5 -16.188 -11.208   3.001
   32    HG   CYS   5           HG       CYS   5 -14.179 -10.430   0.984
   33    H    TRP   6           H        TRP   6 -16.781 -12.879   5.376
   34    HA   TRP   6           HA       TRP   6 -16.311 -12.598   7.571
   35    HB2  TRP   6          1HB       TRP   6 -13.891 -14.197   6.769
   36    HB3  TRP   6          2HB       TRP   6 -14.182 -13.700   8.427
   37    HD1  TRP   6           HD1      TRP   6 -15.448 -16.112   5.757
   38    HE1  TRP   6           HE1      TRP   6 -16.990 -17.845   6.873
   39    HE3  TRP   6           HE3      TRP   6 -15.762 -14.029  10.410
   40    HZ2  TRP   6           HZ2      TRP   6 -18.172 -18.271   9.404
   41    HZ3  TRP   6           HZ3      TRP   6 -17.117 -15.162  12.121
   42    HH2  TRP   6           HH2      TRP   6 -18.296 -17.238  11.625
   43    H    GLY   7           H        GLY   7 -15.525 -10.550   5.663
   44    HA2  GLY   7          1HA       GLY   7 -13.720  -9.080   7.407
   45    HA3  GLY   7          2HA       GLY   7 -13.139  -9.376   5.777
   46    HA   PRO   8           HA       PRO   8 -16.693  -6.013   5.910
   47    HB2  PRO   8          1HB       PRO   8 -15.238  -4.311   7.830
   48    HB3  PRO   8          2HB       PRO   8 -16.964  -4.676   7.739
   49    HG2  PRO   8          1HG       PRO   8 -15.418  -5.691   9.677
   50    HG3  PRO   8          2HG       PRO   8 -16.753  -6.618   8.968
   51    HD2  PRO   8          1HD       PRO   8 -13.812  -6.828   8.445
   52    HD3  PRO   8          2HD       PRO   8 -15.022  -8.117   8.614
   53    H    CYS   9           H        CYS   9 -13.234  -5.881   6.167
   54    HA   CYS   9           HA       CYS   9 -12.872  -3.446   4.724
   55    HB2  CYS   9          1HB       CYS   9 -10.935  -5.718   5.196
   56    HB3  CYS   9          2HB       CYS   9 -10.513  -4.104   4.637
   57    HG   CYS   9           HG       CYS   9 -12.027  -3.347   7.257
   58    HA   PRO  10           HA       PRO  10 -13.803  -5.184   0.720
   59    HB2  PRO  10          1HB       PRO  10 -12.505  -2.747  -0.304
   60    HB3  PRO  10          2HB       PRO  10 -14.158  -3.322  -0.545
   61    HG2  PRO  10          1HG       PRO  10 -13.622  -1.211   1.014
   62    HG3  PRO  10          2HG       PRO  10 -14.918  -2.356   1.409
   63    HD2  PRO  10          1HD       PRO  10 -12.161  -2.141   2.566
   64    HD3  PRO  10          2HD       PRO  10 -13.705  -2.458   3.380
   65    H    THR  11           H        THR  11 -12.611  -6.702  -0.189
   66    HA   THR  11           HA       THR  11  -9.817  -6.902   0.161
   67    HB   THR  11           HB       THR  11 -11.505  -8.442  -1.818
   68    HG1  THR  11           HG1      THR  11 -11.233  -8.636   0.990
   69   HG21  THR  11          1HG2      THR  11  -8.976  -9.169  -0.334
   70   HG22  THR  11          2HG2      THR  11  -9.075  -8.742  -2.042
   71   HG23  THR  11          3HG2      THR  11  -9.853 -10.211  -1.453
   72    H    ALA  12           H        ALA  12 -11.851  -5.943  -2.564
   73    HA   ALA  12           HA       ALA  12  -9.745  -5.766  -4.459
   74    HB1  ALA  12          1HB       ALA  12 -12.082  -5.990  -5.130
   75    HB2  ALA  12          2HB       ALA  12 -11.348  -4.554  -5.845
   76    HB3  ALA  12          3HB       ALA  12 -12.431  -4.395  -4.463
   77    H    PHE  13           H        PHE  13 -10.958  -3.613  -2.018
   78    HA   PHE  13           HA       PHE  13  -9.743  -1.248  -3.037
   79    HB2  PHE  13          1HB       PHE  13 -11.637  -1.252  -1.427
   80    HB3  PHE  13          2HB       PHE  13 -10.548  -1.867  -0.192
   81    HD1  PHE  13           HD1      PHE  13 -10.821   0.950  -2.610
   82    HD2  PHE  13           HD2      PHE  13  -9.566  -0.364   1.236
   83    HE1  PHE  13           HE1      PHE  13 -10.211   3.258  -2.027
   84    HE2  PHE  13           HE2      PHE  13  -8.953   1.940   1.828
   85    HZ   PHE  13           HZ       PHE  13  -9.275   3.758   0.197
   86    H    ARG  14           H        ARG  14  -8.692  -3.881  -0.991
   87    HA   ARG  14           HA       ARG  14  -6.304  -2.560  -0.103
   88    HB2  ARG  14          1HB       ARG  14  -7.010  -5.498  -0.066
   89    HB3  ARG  14          2HB       ARG  14  -5.627  -4.776   0.742
   90    HG2  ARG  14          1HG       ARG  14  -7.423  -3.306   1.922
   91    HG3  ARG  14          2HG       ARG  14  -8.529  -4.585   1.416
   92    HD2  ARG  14          1HD       ARG  14  -7.758  -5.071   3.645
   93    HD3  ARG  14          2HD       ARG  14  -7.041  -6.241   2.535
   94    HE   ARG  14           HE       ARG  14  -5.310  -4.025   2.886
   95   HH11  ARG  14          1HH1      ARG  14  -6.447  -6.892   4.539
   96   HH12  ARG  14          2HH1      ARG  14  -5.028  -7.044   5.525
   97   HH21  ARG  14          1HH2      ARG  14  -3.447  -4.217   4.177
   98   HH22  ARG  14          2HH2      ARG  14  -3.316  -5.523   5.313
   99    H    GLN  15           H        GLN  15  -7.213  -3.717  -3.045
  100    HA   GLN  15           HA       GLN  15  -4.670  -4.708  -3.945
  101    HB2  GLN  15          1HB       GLN  15  -6.866  -5.314  -4.998
  102    HB3  GLN  15          2HB       GLN  15  -6.985  -3.667  -5.592
  103    HG2  GLN  15          1HG       GLN  15  -4.894  -4.011  -6.856
  104    HG3  GLN  15          2HG       GLN  15  -4.879  -5.690  -6.315
  105   HE21  GLN  15          1HE2      GLN  15  -6.447  -7.112  -7.101
  106   HE22  GLN  15          2HE2      GLN  15  -7.352  -6.767  -8.532
  107    H    ILE  16           H        ILE  16  -6.105  -1.668  -3.390
  108    HA   ILE  16           HA       ILE  16  -4.287  -0.198  -5.108
  109    HB   ILE  16           HB       ILE  16  -6.213   0.829  -3.008
  110   HG12  ILE  16          1HG1      ILE  16  -6.514   0.629  -6.019
  111   HG13  ILE  16          2HG1      ILE  16  -7.382  -0.339  -4.828
  112   HG21  ILE  16          1HG2      ILE  16  -4.749   2.297  -5.204
  113   HG22  ILE  16          2HG2      ILE  16  -4.401   2.395  -3.478
  114   HG23  ILE  16          3HG2      ILE  16  -5.935   3.002  -4.104
  115   HD11  ILE  16          1HD1      ILE  16  -7.601   2.646  -5.158
  116   HD12  ILE  16          2HD1      ILE  16  -8.490   1.661  -3.997
  117   HD13  ILE  16          3HD1      ILE  16  -8.768   1.451  -5.726
  118    H    GLY  17           H        GLY  17  -4.621  -1.188  -1.800
  119    HA2  GLY  17          1HA       GLY  17  -3.101  -1.223  -0.076
  120    HA3  GLY  17          2HA       GLY  17  -1.889  -0.622  -1.200
  121    H    ASN  18           H        ASN  18  -1.041   0.889   0.225
  122    HA   ASN  18           HA       ASN  18  -2.836   3.151   0.795
  123    HB2  ASN  18          1HB       ASN  18  -0.304   2.328   2.230
  124    HB3  ASN  18          2HB       ASN  18  -1.189   3.807   2.552
  125   HD21  ASN  18          1HD2      ASN  18  -3.803   2.472   2.184
  126   HD22  ASN  18          2HD2      ASN  18  -4.043   1.541   3.615
  127    H    CYS  19           H        CYS  19   0.697   2.854   0.631
  128    HA   CYS  19           HA       CYS  19   0.746   4.575  -1.721
  129    HB2  CYS  19          1HB       CYS  19   2.164   5.246   0.864
  130    HB3  CYS  19          2HB       CYS  19   2.454   6.054  -0.671
  131    HG   CYS  19           HG       CYS  19   0.792   7.915  -0.080
  132    H    GLY  20           H        GLY  20   1.343   2.251  -2.348
  133    HA2  GLY  20          1HA       GLY  20   3.241   1.456  -3.574
  134    HA3  GLY  20          2HA       GLY  20   4.283   2.144  -2.340
  135    H    ARG  21           H        ARG  21   1.454   0.247  -1.562
  136    HA   ARG  21           HA       ARG  21   3.160  -1.759  -0.326
  137    HB2  ARG  21          1HB       ARG  21   1.193  -0.891   0.917
  138    HB3  ARG  21          2HB       ARG  21   0.140  -1.534  -0.332
  139    HG2  ARG  21          1HG       ARG  21   0.895  -3.792   0.187
  140    HG3  ARG  21          2HG       ARG  21   1.957  -3.150   1.441
  141    HD2  ARG  21          1HD       ARG  21  -0.044  -2.214   2.578
  142    HD3  ARG  21          2HD       ARG  21  -1.055  -3.007   1.372
  143    HE   ARG  21           HE       ARG  21   0.673  -4.413   3.304
  144   HH11  ARG  21          1HH1      ARG  21  -2.145  -4.332   1.217
  145   HH12  ARG  21          2HH1      ARG  21  -2.755  -5.858   1.773
  146   HH21  ARG  21          1HH2      ARG  21  -0.122  -6.410   4.032
  147   HH22  ARG  21          2HH2      ARG  21  -1.603  -7.040   3.386
  148    H    PHE  22           H        PHE  22   0.681  -1.469  -2.801
  149    HA   PHE  22           HA       PHE  22   1.080  -4.229  -3.650
  150    HB2  PHE  22          1HB       PHE  22  -1.212  -3.184  -3.516
  151    HB3  PHE  22          2HB       PHE  22  -0.738  -2.109  -4.822
  152    HD1  PHE  22           HD1      PHE  22  -0.618  -2.877  -7.082
  153    HD2  PHE  22           HD2      PHE  22  -1.531  -5.566  -3.916
  154    HE1  PHE  22           HE1      PHE  22  -1.354  -4.551  -8.724
  155    HE2  PHE  22           HE2      PHE  22  -2.268  -7.246  -5.551
  156    HZ   PHE  22           HZ       PHE  22  -2.179  -6.742  -7.961
  157    H    ARG  23           H        ARG  23   2.041  -4.782  -5.611
  158    HA   ARG  23           HA       ARG  23   3.755  -2.691  -6.686
  159    HB2  ARG  23          1HB       ARG  23   3.694  -5.642  -7.337
  160    HB3  ARG  23          2HB       ARG  23   4.907  -4.493  -7.879
  161    HG2  ARG  23          1HG       ARG  23   4.397  -5.407  -5.055
  162    HG3  ARG  23          2HG       ARG  23   5.804  -5.759  -6.059
  163    HD2  ARG  23          1HD       ARG  23   6.417  -3.398  -6.052
  164    HD3  ARG  23          2HD       ARG  23   4.982  -3.014  -5.102
  165    HE   ARG  23           HE       ARG  23   6.612  -4.969  -3.816
  166   HH11  ARG  23          1HH1      ARG  23   6.303  -1.529  -4.404
  167   HH12  ARG  23          2HH1      ARG  23   7.178  -1.081  -2.973
  168   HH21  ARG  23          1HH2      ARG  23   7.764  -4.375  -1.942
  169   HH22  ARG  23          2HH2      ARG  23   8.016  -2.693  -1.586
  170    H    VAL  24           H        VAL  24   2.313  -1.453  -7.787
  171    HA   VAL  24           HA       VAL  24   0.445  -2.472  -9.668
  172    HB   VAL  24           HB       VAL  24   1.550   0.332  -9.429
  173   HG11  VAL  24          1HG1      VAL  24  -0.958  -0.664 -10.773
  174   HG12  VAL  24          2HG1      VAL  24   0.486  -0.063 -11.586
  175   HG13  VAL  24          3HG1      VAL  24  -0.486   1.025 -10.595
  176   HG21  VAL  24          1HG2      VAL  24  -0.442   0.820  -8.117
  177   HG22  VAL  24          2HG2      VAL  24   0.510  -0.448  -7.351
  178   HG23  VAL  24          3HG2      VAL  24  -0.953  -0.861  -8.242
  179    H    ARG  25           H        ARG  25   3.713  -1.204  -9.852
  180    HA   ARG  25           HA       ARG  25   3.978  -0.966 -12.620
  181    HB2  ARG  25          1HB       ARG  25   6.069  -1.810 -10.600
  182    HB3  ARG  25          2HB       ARG  25   6.404  -1.234 -12.225
  183    HG2  ARG  25          1HG       ARG  25   5.035   0.380 -10.082
  184    HG3  ARG  25          2HG       ARG  25   6.754   0.470 -10.468
  185    HD2  ARG  25          1HD       ARG  25   6.254   1.259 -12.698
  186    HD3  ARG  25          2HD       ARG  25   4.525   1.039 -12.426
  187    HE   ARG  25           HE       ARG  25   5.206   2.747 -10.458
  188   HH11  ARG  25          1HH1      ARG  25   5.918   2.771 -13.891
  189   HH12  ARG  25          2HH1      ARG  25   5.867   4.501 -14.012
  190   HH21  ARG  25          1HH2      ARG  25   5.164   5.013 -10.611
  191   HH22  ARG  25          2HH2      ARG  25   5.434   5.778 -12.146
  192    H    CYS  26           H        CYS  26   4.688  -3.728 -10.517
  193    HA   CYS  26           HA       CYS  26   5.523  -5.448 -12.602
  194    HB2  CYS  26          1HB       CYS  26   4.484  -6.234  -9.872
  195    HB3  CYS  26          2HB       CYS  26   5.537  -7.179 -10.920
  196    HG   CYS  26           HG       CYS  26   7.733  -5.517 -10.670
  197    H    CYS  27           H        CYS  27   2.431  -4.986 -10.944
  198    HA   CYS  27           HA       CYS  27   1.176  -7.229 -12.179
  199    HB2  CYS  27          1HB       CYS  27   0.462  -6.208 -10.000
  200    HB3  CYS  27          2HB       CYS  27  -0.155  -4.831 -10.904
  201    HG   CYS  27           HG       CYS  27  -1.443  -7.927 -10.574
  202    H    ARG  28           H        ARG  28   1.615  -3.888 -13.051
  203    HA   ARG  28           HA       ARG  28  -0.486  -3.826 -14.992
  204    HB2  ARG  28          1HB       ARG  28   0.382  -1.799 -13.811
  205    HB3  ARG  28          2HB       ARG  28   1.879  -1.962 -14.716
  206    HG2  ARG  28          1HG       ARG  28   0.726  -1.566 -16.790
  207    HG3  ARG  28          2HG       ARG  28  -0.831  -1.545 -15.958
  208    HD2  ARG  28          1HD       ARG  28  -0.102   0.722 -16.406
  209    HD3  ARG  28          2HD       ARG  28  -0.089   0.418 -14.670
  210    HE   ARG  28           HE       ARG  28   2.462  -0.109 -15.762
  211   HH11  ARG  28          1HH1      ARG  28   0.329   2.525 -14.905
  212   HH12  ARG  28          2HH1      ARG  28   1.612   3.680 -14.730
  213   HH21  ARG  28          1HH2      ARG  28   4.171   1.413 -15.499
  214   HH22  ARG  28          2HH2      ARG  28   3.787   3.051 -15.067
  215    H    ILE  29           H        ILE  29   3.048  -4.186 -15.134
  216    HA   ILE  29           HA       ILE  29   3.086  -4.402 -17.982
  217    HB   ILE  29           HB       ILE  29   5.098  -3.693 -16.758
  218   HG12  ILE  29          1HG1      ILE  29   5.487  -6.299 -18.255
  219   HG13  ILE  29          2HG1      ILE  29   5.342  -4.705 -18.989
  220   HG21  ILE  29          1HG2      ILE  29   6.448  -5.317 -15.510
  221   HG22  ILE  29          2HG2      ILE  29   5.180  -6.523 -15.717
  222   HG23  ILE  29          3HG2      ILE  29   4.867  -5.071 -14.768
  223   HD11  ILE  29          1HD1      ILE  29   7.552  -5.611 -17.157
  224   HD12  ILE  29          2HD1      ILE  29   7.408  -4.015 -17.890
  225   HD13  ILE  29          3HD1      ILE  29   7.653  -5.432 -18.909
  226    H    ARG  30           H        ARG  30   2.888  -6.651 -15.320
  227    HA   ARG  30           HA       ARG  30   2.358  -8.846 -15.153
  228    HB2  ARG  30          1HB       ARG  30   0.436  -7.814 -16.636
  229    HB3  ARG  30          2HB       ARG  30   1.148  -8.815 -17.890
  230    HG2  ARG  30          1HG       ARG  30   0.339  -9.944 -15.232
  231    HG3  ARG  30          2HG       ARG  30  -0.800  -9.780 -16.566
  232    HD2  ARG  30          1HD       ARG  30   1.801 -11.305 -16.685
  233    HD3  ARG  30          2HD       ARG  30   0.217 -12.033 -16.419
  234    HE   ARG  30           HE       ARG  30  -0.055 -10.609 -18.739
  235   HH11  ARG  30          1HH1      ARG  30   2.065 -13.151 -17.622
  236   HH12  ARG  30          2HH1      ARG  30   2.308 -13.818 -19.202
  237   HH21  ARG  30          1HH2      ARG  30   0.236 -11.497 -20.823
  238   HH22  ARG  30          2HH2      ARG  30   1.264 -12.879 -21.025
  Start of MODEL    6
    1    H1   ASN   1          1H        ASN   1 -21.844   0.038  -2.706
    2    H2   ASN   1          2H        ASN   1 -21.866  -0.250  -4.374
    3    H3   ASN   1          3H        ASN   1 -23.023  -0.972  -3.381
    4    HA   ASN   1           HA       ASN   1 -23.947   0.872  -4.612
    5    HB2  ASN   1          1HB       ASN   1 -23.698   1.305  -1.628
    6    HB3  ASN   1          2HB       ASN   1 -24.869   2.122  -2.654
    7   HD21  ASN   1          1HD2      ASN   1 -26.548   0.909  -3.597
    8   HD22  ASN   1          2HD2      ASN   1 -27.020  -0.622  -2.938
    9    H    GLY   2           H        GLY   2 -22.775   2.210  -5.911
   10    HA2  GLY   2          1HA       GLY   2 -21.814   4.197  -6.533
   11    HA3  GLY   2          2HA       GLY   2 -22.177   4.788  -4.920
   12    H    ALA   3           H        ALA   3 -20.465   5.421  -3.814
   13    HA   ALA   3           HA       ALA   3 -17.809   4.687  -4.642
   14    HB1  ALA   3          1HB       ALA   3 -18.734   6.329  -2.282
   15    HB2  ALA   3          2HB       ALA   3 -18.297   6.957  -3.870
   16    HB3  ALA   3          3HB       ALA   3 -17.073   6.192  -2.857
   17    H    ILE   4           H        ILE   4 -20.079   3.755  -2.185
   18    HA   ILE   4           HA       ILE   4 -18.086   2.290  -0.666
   19    HB   ILE   4           HB       ILE   4 -21.086   2.432  -0.302
   20   HG12  ILE   4          1HG1      ILE   4 -19.947   4.589   0.080
   21   HG13  ILE   4          2HG1      ILE   4 -20.590   3.924   1.579
   22   HG21  ILE   4          1HG2      ILE   4 -18.974   1.291   1.530
   23   HG22  ILE   4          2HG2      ILE   4 -20.141   0.359   0.594
   24   HG23  ILE   4          3HG2      ILE   4 -20.696   1.422   1.887
   25   HD11  ILE   4          1HD1      ILE   4 -17.718   3.850   0.677
   26   HD12  ILE   4          2HD1      ILE   4 -18.341   3.124   2.159
   27   HD13  ILE   4          3HD1      ILE   4 -18.401   4.874   1.941
   28    H    CYS   5           H        CYS   5 -17.397   0.810  -2.227
   29    HA   CYS   5           HA       CYS   5 -19.300  -1.388  -2.677
   30    HB2  CYS   5          1HB       CYS   5 -17.663  -2.132  -4.444
   31    HB3  CYS   5          2HB       CYS   5 -18.473  -0.608  -4.785
   32    HG   CYS   5           HG       CYS   5 -16.207   0.361  -5.530
   33    H    TRP   6           H        TRP   6 -17.439  -0.514  -0.411
   34    HA   TRP   6           HA       TRP   6 -16.491  -3.164   0.246
   35    HB2  TRP   6          1HB       TRP   6 -14.221  -2.293   0.853
   36    HB3  TRP   6          2HB       TRP   6 -14.540  -2.305  -0.872
   37    HD1  TRP   6           HD1      TRP   6 -14.818   0.081  -2.086
   38    HE1  TRP   6           HE1      TRP   6 -14.016   2.435  -1.423
   39    HE3  TRP   6           HE3      TRP   6 -13.810  -0.768   2.853
   40    HZ2  TRP   6           HZ2      TRP   6 -13.078   3.754   0.891
   41    HZ3  TRP   6           HZ3      TRP   6 -12.960   1.093   4.217
   42    HH2  TRP   6           HH2      TRP   6 -12.602   3.303   3.255
   43    H    GLY   7           H        GLY   7 -16.308  -3.494   2.456
   44    HA2  GLY   7          1HA       GLY   7 -16.834  -1.187   4.199
   45    HA3  GLY   7          2HA       GLY   7 -17.863  -2.608   4.306
   46    HA   PRO   8           HA       PRO   8 -14.988  -3.900   7.485
   47    HB2  PRO   8          1HB       PRO   8 -16.298  -6.524   7.120
   48    HB3  PRO   8          2HB       PRO   8 -16.135  -5.541   8.580
   49    HG2  PRO   8          1HG       PRO   8 -18.480  -5.778   7.320
   50    HG3  PRO   8          2HG       PRO   8 -17.985  -4.253   8.079
   51    HD2  PRO   8          1HD       PRO   8 -17.966  -5.024   5.188
   52    HD3  PRO   8          2HD       PRO   8 -18.403  -3.479   5.943
   53    H    CYS   9           H        CYS   9 -15.586  -5.764   4.539
   54    HA   CYS   9           HA       CYS   9 -12.807  -6.722   4.696
   55    HB2  CYS   9          1HB       CYS   9 -15.144  -8.253   3.540
   56    HB3  CYS   9          2HB       CYS   9 -13.489  -8.825   3.700
   57    HG   CYS   9           HG       CYS   9 -13.844  -8.313   6.662
   58    HA   PRO  10           HA       PRO  10 -13.292  -4.451   0.691
   59    HB2  PRO  10          1HB       PRO  10 -10.723  -3.278   1.374
   60    HB3  PRO  10          2HB       PRO  10 -12.263  -2.466   1.086
   61    HG2  PRO  10          1HG       PRO  10 -11.083  -2.572   3.527
   62    HG3  PRO  10          2HG       PRO  10 -12.839  -2.497   3.304
   63    HD2  PRO  10          1HD       PRO  10 -11.106  -4.869   3.896
   64    HD3  PRO  10          2HD       PRO  10 -12.692  -4.435   4.570
   65    H    THR  11           H        THR  11 -12.684  -5.723  -0.981
   66    HA   THR  11           HA       THR  11 -10.316  -7.383  -0.688
   67    HB   THR  11           HB       THR  11 -12.263  -7.338  -2.999
   68    HG1  THR  11           HG1      THR  11 -12.560  -9.395  -1.234
   69   HG21  THR  11          1HG2      THR  11 -10.361  -9.458  -1.982
   70   HG22  THR  11          2HG2      THR  11 -10.148  -8.492  -3.443
   71   HG23  THR  11          3HG2      THR  11 -11.478  -9.646  -3.333
   72    H    ALA  12           H        ALA  12 -11.552  -4.852  -2.832
   73    HA   ALA  12           HA       ALA  12  -9.085  -4.886  -4.382
   74    HB1  ALA  12          1HB       ALA  12 -11.219  -4.727  -5.562
   75    HB2  ALA  12          2HB       ALA  12 -10.217  -3.304  -5.850
   76    HB3  ALA  12          3HB       ALA  12 -11.571  -3.217  -4.723
   77    H    PHE  13           H        PHE  13 -10.617  -3.047  -1.892
   78    HA   PHE  13           HA       PHE  13  -9.156  -0.638  -2.243
   79    HB2  PHE  13          1HB       PHE  13 -11.258  -0.648  -1.034
   80    HB3  PHE  13          2HB       PHE  13 -10.596  -1.741   0.169
   81    HD1  PHE  13           HD1      PHE  13  -9.563  -0.918   2.075
   82    HD2  PHE  13           HD2      PHE  13 -10.183   1.657  -1.255
   83    HE1  PHE  13           HE1      PHE  13  -8.834   0.999   3.427
   84    HE2  PHE  13           HE2      PHE  13  -9.457   3.580   0.091
   85    HZ   PHE  13           HZ       PHE  13  -8.781   3.255   2.438
   86    H    ARG  14           H        ARG  14  -8.489  -3.653  -0.656
   87    HA   ARG  14           HA       ARG  14  -6.216  -2.556   0.775
   88    HB2  ARG  14          1HB       ARG  14  -7.320  -5.360   0.583
   89    HB3  ARG  14          2HB       ARG  14  -5.873  -4.946   1.490
   90    HG2  ARG  14          1HG       ARG  14  -7.210  -3.413   2.878
   91    HG3  ARG  14          2HG       ARG  14  -8.653  -3.901   1.992
   92    HD2  ARG  14          1HD       ARG  14  -8.332  -6.209   2.747
   93    HD3  ARG  14          2HD       ARG  14  -6.886  -5.721   3.632
   94    HE   ARG  14           HE       ARG  14  -8.739  -4.097   4.678
   95   HH11  ARG  14          1HH1      ARG  14  -8.750  -7.551   4.099
   96   HH12  ARG  14          2HH1      ARG  14  -9.804  -7.896   5.433
   97   HH21  ARG  14          1HH2      ARG  14 -10.149  -4.557   6.428
   98   HH22  ARG  14          2HH2      ARG  14 -10.604  -6.200   6.746
   99    H    GLN  15           H        GLN  15  -6.830  -3.709  -2.313
  100    HA   GLN  15           HA       GLN  15  -4.079  -4.642  -2.680
  101    HB2  GLN  15          1HB       GLN  15  -6.514  -4.875  -4.451
  102    HB3  GLN  15          2HB       GLN  15  -4.906  -5.407  -4.917
  103    HG2  GLN  15          1HG       GLN  15  -4.870  -7.038  -3.163
  104    HG3  GLN  15          2HG       GLN  15  -6.395  -6.435  -2.517
  105   HE21  GLN  15          1HE2      GLN  15  -5.661  -9.099  -3.458
  106   HE22  GLN  15          2HE2      GLN  15  -6.794  -9.491  -4.703
  107    H    ILE  16           H        ILE  16  -6.414  -2.663  -4.528
  108    HA   ILE  16           HA       ILE  16  -4.144  -1.066  -5.468
  109    HB   ILE  16           HB       ILE  16  -6.973  -1.199  -6.524
  110   HG12  ILE  16          1HG1      ILE  16  -4.330  -2.246  -7.570
  111   HG13  ILE  16          2HG1      ILE  16  -5.724  -3.200  -7.067
  112   HG21  ILE  16          1HG2      ILE  16  -6.169   0.220  -8.355
  113   HG22  ILE  16          2HG2      ILE  16  -4.601   0.359  -7.561
  114   HG23  ILE  16          3HG2      ILE  16  -6.037   1.040  -6.798
  115   HD11  ILE  16          1HD1      ILE  16  -7.005  -2.337  -8.945
  116   HD12  ILE  16          2HD1      ILE  16  -5.517  -3.110  -9.490
  117   HD13  ILE  16          3HD1      ILE  16  -5.629  -1.350  -9.440
  118    H    GLY  17           H        GLY  17  -7.276  -0.796  -3.891
  119    HA2  GLY  17          1HA       GLY  17  -7.529   0.836  -2.111
  120    HA3  GLY  17          2HA       GLY  17  -6.503   1.922  -3.036
  121    H    ASN  18           H        ASN  18  -9.307  -0.035  -3.946
  122    HA   ASN  18           HA       ASN  18 -11.293   0.460  -4.896
  123    HB2  ASN  18          1HB       ASN  18 -11.581   1.879  -2.872
  124    HB3  ASN  18          2HB       ASN  18 -10.890   3.231  -3.754
  125   HD21  ASN  18          1HD2      ASN  18 -13.611   1.045  -3.549
  126   HD22  ASN  18          2HD2      ASN  18 -14.720   2.043  -4.418
  127    H    CYS  19           H        CYS  19  -9.708   0.195  -6.748
  128    HA   CYS  19           HA       CYS  19 -10.437   1.988  -8.803
  129    HB2  CYS  19          1HB       CYS  19  -8.620   3.324  -7.673
  130    HB3  CYS  19          2HB       CYS  19  -7.498   2.035  -8.082
  131    HG   CYS  19           HG       CYS  19  -8.309   4.620  -9.853
  132    H    GLY  20           H        GLY  20 -10.766  -0.668  -8.423
  133    HA2  GLY  20          1HA       GLY  20 -10.615  -2.355 -10.151
  134    HA3  GLY  20          2HA       GLY  20  -8.947  -1.862 -10.412
  135    H    ARG  21           H        ARG  21  -9.277  -4.458 -10.101
  136    HA   ARG  21           HA       ARG  21  -8.819  -5.074  -7.275
  137    HB2  ARG  21          1HB       ARG  21 -10.526  -6.412  -8.402
  138    HB3  ARG  21          2HB       ARG  21  -9.362  -6.898  -9.626
  139    HG2  ARG  21          1HG       ARG  21  -8.073  -8.098  -7.965
  140    HG3  ARG  21          2HG       ARG  21  -9.176  -7.560  -6.696
  141    HD2  ARG  21          1HD       ARG  21  -9.927  -9.272  -9.063
  142    HD3  ARG  21          2HD       ARG  21  -9.654  -9.861  -7.425
  143    HE   ARG  21           HE       ARG  21 -11.591  -7.859  -7.301
  144   HH11  ARG  21          1HH1      ARG  21 -11.222 -11.085  -8.620
  145   HH12  ARG  21          2HH1      ARG  21 -12.915 -11.454  -8.515
  146   HH21  ARG  21          1HH2      ARG  21 -13.816  -8.347  -7.161
  147   HH22  ARG  21          2HH2      ARG  21 -14.385  -9.901  -7.683
  148    H    PHE  22           H        PHE  22  -7.401  -5.613 -10.483
  149    HA   PHE  22           HA       PHE  22  -4.824  -6.095  -9.157
  150    HB2  PHE  22          1HB       PHE  22  -4.251  -7.735 -10.849
  151    HB3  PHE  22          2HB       PHE  22  -5.761  -8.198 -10.080
  152    HD1  PHE  22           HD1      PHE  22  -7.938  -7.545 -11.318
  153    HD2  PHE  22           HD2      PHE  22  -4.096  -7.634 -13.146
  154    HE1  PHE  22           HE1      PHE  22  -8.996  -7.714 -13.526
  155    HE2  PHE  22           HE2      PHE  22  -5.152  -7.807 -15.358
  156    HZ   PHE  22           HZ       PHE  22  -7.605  -7.844 -15.553
  157    H    ARG  23           H        ARG  23  -2.970  -5.352 -10.261
  158    HA   ARG  23           HA       ARG  23  -3.594  -3.112 -12.049
  159    HB2  ARG  23          1HB       ARG  23  -0.974  -3.645 -10.647
  160    HB3  ARG  23          2HB       ARG  23  -1.493  -2.150 -11.410
  161    HG2  ARG  23          1HG       ARG  23  -3.308  -2.018  -9.673
  162    HG3  ARG  23          2HG       ARG  23  -2.517  -3.368  -8.859
  163    HD2  ARG  23          1HD       ARG  23  -0.405  -1.955  -8.882
  164    HD3  ARG  23          2HD       ARG  23  -1.431  -0.607  -9.362
  165    HE   ARG  23           HE       ARG  23  -1.815  -2.103  -6.848
  166   HH11  ARG  23          1HH1      ARG  23  -1.729   0.901  -8.640
  167   HH12  ARG  23          2HH1      ARG  23  -2.016   1.888  -7.247
  168   HH21  ARG  23          1HH2      ARG  23  -2.188  -0.805  -5.005
  169   HH22  ARG  23          2HH2      ARG  23  -2.276   0.918  -5.179
  170    H    VAL  24           H        VAL  24  -3.317  -3.422 -14.116
  171    HA   VAL  24           HA       VAL  24  -2.027  -5.658 -15.263
  172    HB   VAL  24           HB       VAL  24  -2.750  -3.029 -16.573
  173   HG11  VAL  24          1HG1      VAL  24  -1.196  -4.311 -17.925
  174   HG12  VAL  24          2HG1      VAL  24  -2.800  -4.323 -18.659
  175   HG13  VAL  24          3HG1      VAL  24  -2.220  -5.740 -17.782
  176   HG21  VAL  24          1HG2      VAL  24  -4.341  -5.576 -16.323
  177   HG22  VAL  24          2HG2      VAL  24  -4.809  -4.166 -17.270
  178   HG23  VAL  24          3HG2      VAL  24  -4.685  -4.049 -15.515
  179    H    ARG  25           H        ARG  25  -1.038  -2.362 -14.630
  180    HA   ARG  25           HA       ARG  25   1.338  -2.330 -16.133
  181    HB2  ARG  25          1HB       ARG  25   0.619  -0.790 -13.630
  182    HB3  ARG  25          2HB       ARG  25   1.944  -0.400 -14.717
  183    HG2  ARG  25          1HG       ARG  25  -0.924  -0.499 -15.606
  184    HG3  ARG  25          2HG       ARG  25  -0.152   0.963 -14.989
  185    HD2  ARG  25          1HD       ARG  25   0.862  -0.635 -17.335
  186    HD3  ARG  25          2HD       ARG  25  -0.170   0.786 -17.474
  187    HE   ARG  25           HE       ARG  25   2.127   1.384 -15.930
  188   HH11  ARG  25          1HH1      ARG  25   1.077   0.815 -19.216
  189   HH12  ARG  25          2HH1      ARG  25   2.327   1.785 -19.924
  190   HH21  ARG  25          1HH2      ARG  25   3.774   2.687 -16.860
  191   HH22  ARG  25          2HH2      ARG  25   3.860   2.851 -18.585
  192    H    CYS  26           H        CYS  26   0.617  -3.490 -12.901
  193    HA   CYS  26           HA       CYS  26   3.360  -3.712 -12.137
  194    HB2  CYS  26          1HB       CYS  26   0.889  -4.900 -10.873
  195    HB3  CYS  26          2HB       CYS  26   2.496  -4.901 -10.153
  196    HG   CYS  26           HG       CYS  26   2.482  -2.490  -9.219
  197    H    CYS  27           H        CYS  27   1.243  -5.649 -13.959
  198    HA   CYS  27           HA       CYS  27   2.580  -8.137 -13.489
  199    HB2  CYS  27          1HB       CYS  27   0.219  -7.908 -14.354
  200    HB3  CYS  27          2HB       CYS  27   0.900  -7.364 -15.883
  201    HG   CYS  27           HG       CYS  27   2.024 -10.323 -14.717
  202    H    ARG  28           H        ARG  28   3.115  -5.348 -15.425
  203    HA   ARG  28           HA       ARG  28   5.085  -6.745 -17.077
  204    HB2  ARG  28          1HB       ARG  28   3.430  -5.354 -18.256
  205    HB3  ARG  28          2HB       ARG  28   3.959  -3.948 -17.343
  206    HG2  ARG  28          1HG       ARG  28   4.923  -3.848 -19.521
  207    HG3  ARG  28          2HG       ARG  28   6.206  -4.194 -18.362
  208    HD2  ARG  28          1HD       ARG  28   6.030  -6.594 -18.949
  209    HD3  ARG  28          2HD       ARG  28   4.831  -6.179 -20.174
  210    HE   ARG  28           HE       ARG  28   7.204  -4.673 -20.543
  211   HH11  ARG  28          1HH1      ARG  28   5.882  -7.877 -21.016
  212   HH12  ARG  28          2HH1      ARG  28   6.989  -8.281 -22.288
  213   HH21  ARG  28          1HH2      ARG  28   8.659  -5.197 -22.214
  214   HH22  ARG  28          2HH2      ARG  28   8.573  -6.756 -22.971
  215    H    ILE  29           H        ILE  29   4.837  -3.706 -15.187
  216    HA   ILE  29           HA       ILE  29   7.775  -3.767 -14.980
  217    HB   ILE  29           HB       ILE  29   7.619  -1.267 -14.665
  218   HG12  ILE  29          1HG1      ILE  29   4.812  -1.740 -15.707
  219   HG13  ILE  29          2HG1      ILE  29   5.236  -1.120 -14.114
  220   HG21  ILE  29          1HG2      ILE  29   6.762  -2.472 -17.293
  221   HG22  ILE  29          2HG2      ILE  29   8.413  -2.206 -16.735
  222   HG23  ILE  29          3HG2      ILE  29   7.371  -0.830 -17.092
  223   HD11  ILE  29          1HD1      ILE  29   4.506   0.666 -15.572
  224   HD12  ILE  29          2HD1      ILE  29   5.756   0.244 -16.744
  225   HD13  ILE  29          3HD1      ILE  29   6.209   0.865 -15.158
  226    H    ARG  30           H        ARG  30   4.827  -2.874 -13.211
  227    HA   ARG  30           HA       ARG  30   4.346  -2.804 -10.982
  228    HB2  ARG  30          1HB       ARG  30   5.498  -5.024 -10.935
  229    HB3  ARG  30          2HB       ARG  30   6.997  -4.190 -10.554
  230    HG2  ARG  30          1HG       ARG  30   5.991  -3.352  -8.482
  231    HG3  ARG  30          2HG       ARG  30   4.503  -4.221  -8.869
  232    HD2  ARG  30          1HD       ARG  30   5.770  -6.337  -8.864
  233    HD3  ARG  30          2HD       ARG  30   7.222  -5.446  -8.411
  234    HE   ARG  30           HE       ARG  30   4.931  -5.174  -6.637
  235   HH11  ARG  30          1HH1      ARG  30   7.946  -6.808  -7.327
  236   HH12  ARG  30          2HH1      ARG  30   8.201  -7.313  -5.690
  237   HH21  ARG  30          1HH2      ARG  30   5.244  -5.860  -4.476
  238   HH22  ARG  30          2HH2      ARG  30   6.656  -6.778  -4.064
  Start of MODEL    7
    1    H1   ASN   1          1H        ASN   1 -12.515 -16.285  -8.428
    2    H2   ASN   1          2H        ASN   1 -10.864 -16.119  -8.095
    3    H3   ASN   1          3H        ASN   1 -11.931 -14.852  -7.755
    4    HA   ASN   1           HA       ASN   1 -11.989 -17.507  -6.462
    5    HB2  ASN   1          1HB       ASN   1 -10.995 -14.841  -5.427
    6    HB3  ASN   1          2HB       ASN   1 -11.200 -16.281  -4.441
    7   HD21  ASN   1          1HD2      ASN   1  -9.043 -16.435  -3.893
    8   HD22  ASN   1          2HD2      ASN   1  -7.819 -16.883  -5.031
    9    H    GLY   2           H        GLY   2 -13.974 -17.957  -5.780
   10    HA2  GLY   2          1HA       GLY   2 -15.851 -15.715  -5.409
   11    HA3  GLY   2          2HA       GLY   2 -16.308 -17.374  -5.764
   12    H    ALA   3           H        ALA   3 -14.198 -15.900  -3.300
   13    HA   ALA   3           HA       ALA   3 -15.500 -17.601  -1.308
   14    HB1  ALA   3          1HB       ALA   3 -13.059 -17.691  -1.439
   15    HB2  ALA   3          2HB       ALA   3 -13.598 -17.076   0.123
   16    HB3  ALA   3          3HB       ALA   3 -12.977 -15.963  -1.095
   17    H    ILE   4           H        ILE   4 -14.319 -14.234  -1.492
   18    HA   ILE   4           HA       ILE   4 -16.680 -13.375   0.005
   19    HB   ILE   4           HB       ILE   4 -15.167 -11.833   1.365
   20   HG12  ILE   4          1HG1      ILE   4 -13.093 -13.880   0.534
   21   HG13  ILE   4          2HG1      ILE   4 -13.111 -12.185   0.049
   22   HG21  ILE   4          1HG2      ILE   4 -14.745 -13.567   3.068
   23   HG22  ILE   4          2HG2      ILE   4 -15.103 -14.806   1.866
   24   HG23  ILE   4          3HG2      ILE   4 -16.361 -13.677   2.370
   25   HD11  ILE   4          1HD1      ILE   4 -12.797 -11.519   2.375
   26   HD12  ILE   4          2HD1      ILE   4 -11.505 -12.588   1.826
   27   HD13  ILE   4          3HD1      ILE   4 -12.790 -13.215   2.860
   28    H    CYS   5           H        CYS   5 -17.552 -12.210  -1.634
   29    HA   CYS   5           HA       CYS   5 -15.930 -10.291  -3.088
   30    HB2  CYS   5          1HB       CYS   5 -18.146  -9.744  -4.197
   31    HB3  CYS   5          2HB       CYS   5 -17.558 -11.387  -4.422
   32    HG   CYS   5           HG       CYS   5 -19.331 -12.602  -2.769
   33    H    TRP   6           H        TRP   6 -17.709 -10.386  -0.238
   34    HA   TRP   6           HA       TRP   6 -17.691  -7.458  -0.086
   35    HB2  TRP   6          1HB       TRP   6 -19.799  -7.573   1.242
   36    HB3  TRP   6          2HB       TRP   6 -20.005  -8.097  -0.423
   37    HD1  TRP   6           HD1      TRP   6 -20.581 -10.667  -0.842
   38    HE1  TRP   6           HE1      TRP   6 -21.449 -12.522   0.719
   39    HE3  TRP   6           HE3      TRP   6 -19.673  -8.422   3.653
   40    HZ2  TRP   6           HZ2      TRP   6 -21.716 -12.963   3.498
   41    HZ3  TRP   6           HZ3      TRP   6 -20.264  -9.625   5.712
   42    HH2  TRP   6           HH2      TRP   6 -21.266 -11.843   5.635
   43    H    GLY   7           H        GLY   7 -17.748  -6.684   2.216
   44    HA2  GLY   7          1HA       GLY   7 -17.373  -8.042   4.506
   45    HA3  GLY   7          2HA       GLY   7 -15.803  -8.198   3.731
   46    HA   PRO   8           HA       PRO   8 -16.407  -4.031   6.169
   47    HB2  PRO   8          1HB       PRO   8 -14.401  -5.393   7.892
   48    HB3  PRO   8          2HB       PRO   8 -15.744  -4.337   8.347
   49    HG2  PRO   8          1HG       PRO   8 -15.877  -6.970   8.729
   50    HG3  PRO   8          2HG       PRO   8 -17.299  -6.041   8.228
   51    HD2  PRO   8          1HD       PRO   8 -15.559  -7.848   6.622
   52    HD3  PRO   8          2HD       PRO   8 -17.303  -7.568   6.512
   53    H    CYS   9           H        CYS   9 -13.778  -6.171   5.284
   54    HA   CYS   9           HA       CYS   9 -12.171  -3.817   4.564
   55    HB2  CYS   9          1HB       CYS   9 -11.194  -6.616   5.174
   56    HB3  CYS   9          2HB       CYS   9 -10.188  -5.217   4.812
   57    HG   CYS   9           HG       CYS   9  -9.768  -5.101   7.387
   58    HA   PRO  10           HA       PRO  10 -13.606  -5.304   0.532
   59    HB2  PRO  10          1HB       PRO  10 -12.009  -2.933  -0.269
   60    HB3  PRO  10          2HB       PRO  10 -13.658  -3.379  -0.714
   61    HG2  PRO  10          1HG       PRO  10 -13.226  -1.426   1.030
   62    HG3  PRO  10          2HG       PRO  10 -14.552  -2.581   1.276
   63    HD2  PRO  10          1HD       PRO  10 -11.869  -2.465   2.602
   64    HD3  PRO  10          2HD       PRO  10 -13.457  -2.835   3.304
   65    H    THR  11           H        THR  11 -12.649  -6.712  -0.760
   66    HA   THR  11           HA       THR  11  -9.902  -7.376  -0.445
   67    HB   THR  11           HB       THR  11 -10.384  -8.968  -2.363
   68    HG1  THR  11           HG1      THR  11 -12.888  -9.091  -2.512
   69   HG21  THR  11          1HG2      THR  11 -11.860 -10.410  -1.021
   70   HG22  THR  11          2HG2      THR  11 -12.235  -9.041   0.027
   71   HG23  THR  11          3HG2      THR  11 -10.592  -9.679  -0.036
   72    H    ALA  12           H        ALA  12 -11.758  -5.538  -2.763
   73    HA   ALA  12           HA       ALA  12  -9.690  -5.277  -4.707
   74    HB1  ALA  12          1HB       ALA  12 -12.059  -4.919  -5.249
   75    HB2  ALA  12          2HB       ALA  12 -11.074  -3.519  -5.666
   76    HB3  ALA  12          3HB       ALA  12 -12.072  -3.493  -4.215
   77    H    PHE  13           H        PHE  13 -10.738  -3.383  -1.927
   78    HA   PHE  13           HA       PHE  13  -9.052  -1.162  -2.447
   79    HB2  PHE  13          1HB       PHE  13 -11.104  -1.103  -1.013
   80    HB3  PHE  13          2HB       PHE  13 -10.214  -1.995   0.214
   81    HD1  PHE  13           HD1      PHE  13  -9.842   1.065  -1.878
   82    HD2  PHE  13           HD2      PHE  13  -9.234  -0.792   1.901
   83    HE1  PHE  13           HE1      PHE  13  -8.981   3.186  -0.979
   84    HE2  PHE  13           HE2      PHE  13  -8.369   1.322   2.804
   85    HZ   PHE  13           HZ       PHE  13  -8.242   3.319   1.366
   86    H    ARG  14           H        ARG  14  -8.587  -4.231  -0.920
   87    HA   ARG  14           HA       ARG  14  -6.213  -3.647   0.496
   88    HB2  ARG  14          1HB       ARG  14  -7.569  -5.718   0.792
   89    HB3  ARG  14          2HB       ARG  14  -7.025  -6.266  -0.787
   90    HG2  ARG  14          1HG       ARG  14  -4.705  -6.226   0.028
   91    HG3  ARG  14          2HG       ARG  14  -5.293  -5.764   1.623
   92    HD2  ARG  14          1HD       ARG  14  -6.610  -7.859   1.709
   93    HD3  ARG  14          2HD       ARG  14  -5.925  -8.324   0.150
   94    HE   ARG  14           HE       ARG  14  -3.976  -7.719   2.199
   95   HH11  ARG  14          1HH1      ARG  14  -5.938 -10.207   0.720
   96   HH12  ARG  14          2HH1      ARG  14  -4.912 -11.506   1.240
   97   HH21  ARG  14          1HH2      ARG  14  -2.633  -9.415   2.904
   98   HH22  ARG  14          2HH2      ARG  14  -3.029 -11.054   2.494
   99    H    GLN  15           H        GLN  15  -6.931  -4.272  -2.837
  100    HA   GLN  15           HA       GLN  15  -4.144  -4.566  -3.586
  101    HB2  GLN  15          1HB       GLN  15  -6.617  -4.384  -5.318
  102    HB3  GLN  15          2HB       GLN  15  -5.007  -4.816  -5.866
  103    HG2  GLN  15          1HG       GLN  15  -5.068  -6.815  -4.450
  104    HG3  GLN  15          2HG       GLN  15  -6.700  -6.388  -3.937
  105   HE21  GLN  15          1HE2      GLN  15  -7.616  -8.241  -4.756
  106   HE22  GLN  15          2HE2      GLN  15  -7.777  -8.540  -6.450
  107    H    ILE  16           H        ILE  16  -6.621  -2.154  -3.462
  108    HA   ILE  16           HA       ILE  16  -5.289  -0.180  -5.027
  109    HB   ILE  16           HB       ILE  16  -7.397   0.128  -2.878
  110   HG12  ILE  16          1HG1      ILE  16  -8.170  -1.189  -4.809
  111   HG13  ILE  16          2HG1      ILE  16  -8.977   0.375  -4.745
  112   HG21  ILE  16          1HG2      ILE  16  -6.496   2.142  -4.933
  113   HG22  ILE  16          2HG2      ILE  16  -6.123   2.196  -3.213
  114   HG23  ILE  16          3HG2      ILE  16  -7.792   2.358  -3.758
  115   HD11  ILE  16          1HD1      ILE  16  -6.695  -0.378  -6.559
  116   HD12  ILE  16          2HD1      ILE  16  -7.456   1.209  -6.479
  117   HD13  ILE  16          3HD1      ILE  16  -8.386  -0.188  -7.017
  118    H    GLY  17           H        GLY  17  -5.220  -1.214  -1.707
  119    HA2  GLY  17          1HA       GLY  17  -3.461  -0.901  -0.206
  120    HA3  GLY  17          2HA       GLY  17  -2.798   0.333  -1.270
  121    H    ASN  18           H        ASN  18  -2.615   2.078  -0.020
  122    HA   ASN  18           HA       ASN  18  -5.017   2.952   1.447
  123    HB2  ASN  18          1HB       ASN  18  -2.099   3.589   1.918
  124    HB3  ASN  18          2HB       ASN  18  -3.418   4.392   2.752
  125   HD21  ASN  18          1HD2      ASN  18  -5.019   1.917   2.885
  126   HD22  ASN  18          2HD2      ASN  18  -4.283   0.964   4.118
  127    H    CYS  19           H        CYS  19  -4.334   3.246  -1.399
  128    HA   CYS  19           HA       CYS  19  -3.726   6.060  -1.743
  129    HB2  CYS  19          1HB       CYS  19  -4.503   4.126  -3.914
  130    HB3  CYS  19          2HB       CYS  19  -3.492   5.562  -4.038
  131    HG   CYS  19           HG       CYS  19  -2.642   2.428  -3.351
  132    H    GLY  20           H        GLY  20  -6.238   5.116  -0.454
  133    HA2  GLY  20          1HA       GLY  20  -8.355   5.617  -2.347
  134    HA3  GLY  20          2HA       GLY  20  -8.539   5.328  -0.623
  135    H    ARG  21           H        ARG  21  -9.455   7.439  -2.689
  136    HA   ARG  21           HA       ARG  21  -8.392   9.910  -1.740
  137    HB2  ARG  21          1HB       ARG  21  -9.365   9.632  -3.993
  138    HB3  ARG  21          2HB       ARG  21 -10.941   9.359  -3.271
  139    HG2  ARG  21          1HG       ARG  21 -10.932  11.619  -2.367
  140    HG3  ARG  21          2HG       ARG  21  -9.332  11.894  -3.064
  141    HD2  ARG  21          1HD       ARG  21 -10.253  11.512  -5.304
  142    HD3  ARG  21          2HD       ARG  21 -11.850  11.262  -4.601
  143    HE   ARG  21           HE       ARG  21 -10.843  13.764  -3.790
  144   HH11  ARG  21          1HH1      ARG  21 -12.110  12.122  -6.602
  145   HH12  ARG  21          2HH1      ARG  21 -12.690  13.575  -7.351
  146   HH21  ARG  21          1HH2      ARG  21 -11.603  15.680  -4.762
  147   HH22  ARG  21          2HH2      ARG  21 -12.390  15.608  -6.305
  148    H    PHE  22           H        PHE  22 -11.067   7.860  -0.901
  149    HA   PHE  22           HA       PHE  22 -11.520   9.531   1.461
  150    HB2  PHE  22          1HB       PHE  22 -13.353   9.946  -0.154
  151    HB3  PHE  22          2HB       PHE  22 -13.710   8.223  -0.167
  152    HD1  PHE  22           HD1      PHE  22 -13.557  11.191   2.044
  153    HD2  PHE  22           HD2      PHE  22 -15.137   7.290   1.419
  154    HE1  PHE  22           HE1      PHE  22 -15.044  11.485   3.979
  155    HE2  PHE  22           HE2      PHE  22 -16.626   7.578   3.350
  156    HZ   PHE  22           HZ       PHE  22 -16.582   9.678   4.635
  157    H    ARG  23           H        ARG  23 -11.790   8.403   3.339
  158    HA   ARG  23           HA       ARG  23 -11.327   5.517   3.122
  159    HB2  ARG  23          1HB       ARG  23 -11.011   7.293   5.551
  160    HB3  ARG  23          2HB       ARG  23 -10.510   5.614   5.406
  161    HG2  ARG  23          1HG       ARG  23  -8.883   6.263   3.679
  162    HG3  ARG  23          2HG       ARG  23  -9.364   7.947   3.878
  163    HD2  ARG  23          1HD       ARG  23  -7.391   7.654   5.154
  164    HD3  ARG  23          2HD       ARG  23  -8.723   7.722   6.305
  165    HE   ARG  23           HE       ARG  23  -7.819   5.084   5.440
  166   HH11  ARG  23          1HH1      ARG  23  -7.882   7.552   7.920
  167   HH12  ARG  23          2HH1      ARG  23  -7.321   6.487   9.167
  168   HH21  ARG  23          1HH2      ARG  23  -7.076   3.682   7.093
  169   HH22  ARG  23          2HH2      ARG  23  -6.876   4.295   8.704
  170    H    VAL  24           H        VAL  24 -12.909   4.174   3.542
  171    HA   VAL  24           HA       VAL  24 -15.512   5.145   4.158
  172    HB   VAL  24           HB       VAL  24 -14.590   2.269   4.096
  173   HG11  VAL  24          1HG1      VAL  24 -16.797   2.577   5.087
  174   HG12  VAL  24          2HG1      VAL  24 -16.916   1.771   3.523
  175   HG13  VAL  24          3HG1      VAL  24 -17.317   3.483   3.666
  176   HG21  VAL  24          1HG2      VAL  24 -15.321   2.273   1.738
  177   HG22  VAL  24          2HG2      VAL  24 -13.946   3.335   2.026
  178   HG23  VAL  24          3HG2      VAL  24 -15.560   4.016   1.839
  179    H    ARG  25           H        ARG  25 -12.891   4.062   6.043
  180    HA   ARG  25           HA       ARG  25 -14.057   2.852   8.235
  181    HB2  ARG  25          1HB       ARG  25 -11.692   4.730   8.174
  182    HB3  ARG  25          2HB       ARG  25 -12.116   3.712   9.539
  183    HG2  ARG  25          1HG       ARG  25 -11.243   2.806   6.806
  184    HG3  ARG  25          2HG       ARG  25 -10.336   2.693   8.312
  185    HD2  ARG  25          1HD       ARG  25 -12.119   1.204   9.205
  186    HD3  ARG  25          2HD       ARG  25 -12.885   1.240   7.619
  187    HE   ARG  25           HE       ARG  25 -10.108   0.321   7.832
  188   HH11  ARG  25          1HH1      ARG  25 -13.480  -0.359   7.194
  189   HH12  ARG  25          2HH1      ARG  25 -13.176  -1.931   6.527
  190   HH21  ARG  25          1HH2      ARG  25  -9.692  -1.765   6.970
  191   HH22  ARG  25          2HH2      ARG  25 -11.019  -2.736   6.420
  192    H    CYS  26           H        CYS  26 -13.524   6.345   7.728
  193    HA   CYS  26           HA       CYS  26 -14.617   7.032  10.275
  194    HB2  CYS  26          1HB       CYS  26 -14.497   9.364   9.447
  195    HB3  CYS  26          2HB       CYS  26 -12.983   8.491   9.235
  196    HG   CYS  26           HG       CYS  26 -12.756   9.273   6.807
  197    H    CYS  27           H        CYS  27 -15.974   6.275   7.251
  198    HA   CYS  27           HA       CYS  27 -18.473   7.677   7.833
  199    HB2  CYS  27          1HB       CYS  27 -17.425   7.746   5.533
  200    HB3  CYS  27          2HB       CYS  27 -17.780   6.029   5.391
  201    HG   CYS  27           HG       CYS  27 -20.344   8.131   6.098
  202    H    ARG  28           H        ARG  28 -17.100   4.875   8.726
  203    HA   ARG  28           HA       ARG  28 -19.383   3.138   8.305
  204    HB2  ARG  28          1HB       ARG  28 -16.831   2.495   8.355
  205    HB3  ARG  28          2HB       ARG  28 -17.069   2.457  10.093
  206    HG2  ARG  28          1HG       ARG  28 -18.630   0.815   8.106
  207    HG3  ARG  28          2HG       ARG  28 -17.244   0.243   9.027
  208    HD2  ARG  28          1HD       ARG  28 -18.511   0.736  11.117
  209    HD3  ARG  28          2HD       ARG  28 -19.910   1.142  10.122
  210    HE   ARG  28           HE       ARG  28 -19.019  -1.410   9.393
  211   HH11  ARG  28          1HH1      ARG  28 -20.568   0.200  12.091
  212   HH12  ARG  28          2HH1      ARG  28 -21.316  -1.245  12.687
  213   HH21  ARG  28          1HH2      ARG  28 -19.998  -3.310  10.178
  214   HH22  ARG  28          2HH2      ARG  28 -20.995  -3.246  11.594
  215    H    ILE  29           H        ILE  29 -17.546   4.126  11.208
  216    HA   ILE  29           HA       ILE  29 -20.053   4.505  12.619
  217    HB   ILE  29           HB       ILE  29 -19.698   2.153  12.961
  218   HG12  ILE  29          1HG1      ILE  29 -18.899   3.647  15.468
  219   HG13  ILE  29          2HG1      ILE  29 -20.546   3.480  14.868
  220   HG21  ILE  29          1HG2      ILE  29 -16.952   2.856  13.977
  221   HG22  ILE  29          2HG2      ILE  29 -17.338   1.983  12.494
  222   HG23  ILE  29          3HG2      ILE  29 -17.694   1.259  14.063
  223   HD11  ILE  29          1HD1      ILE  29 -20.091   1.919  16.671
  224   HD12  ILE  29          2HD1      ILE  29 -18.762   1.223  15.744
  225   HD13  ILE  29          3HD1      ILE  29 -20.420   1.070  15.160
  226    H    ARG  30           H        ARG  30 -19.329   6.667  12.570
  227    HA   ARG  30           HA       ARG  30 -18.202   7.412  15.060
  228    HB2  ARG  30          1HB       ARG  30 -16.071   7.065  13.873
  229    HB3  ARG  30          2HB       ARG  30 -16.594   8.172  12.609
  230    HG2  ARG  30          1HG       ARG  30 -16.738   9.974  14.278
  231    HG3  ARG  30          2HG       ARG  30 -16.127   8.862  15.500
  232    HD2  ARG  30          1HD       ARG  30 -14.035   8.645  14.315
  233    HD3  ARG  30          2HD       ARG  30 -14.649   9.625  12.983
  234    HE   ARG  30           HE       ARG  30 -14.868  11.126  15.334
  235   HH11  ARG  30          1HH1      ARG  30 -12.360   9.797  13.301
  236   HH12  ARG  30          2HH1      ARG  30 -11.210  11.035  13.681
  237   HH21  ARG  30          1HH2      ARG  30 -13.385  12.775  15.820
  238   HH22  ARG  30          2HH2      ARG  30 -11.798  12.743  15.120
  Start of MODEL    8
    1    H1   ASN   1          1H        ASN   1 -19.921   3.153  -4.687
    2    H2   ASN   1          2H        ASN   1 -20.125   4.097  -6.074
    3    H3   ASN   1          3H        ASN   1 -20.050   2.413  -6.202
    4    HA   ASN   1           HA       ASN   1 -22.311   3.170  -6.429
    5    HB2  ASN   1          1HB       ASN   1 -23.337   1.706  -4.811
    6    HB3  ASN   1          2HB       ASN   1 -21.813   0.983  -5.307
    7   HD21  ASN   1          1HD2      ASN   1 -20.144   0.798  -3.816
    8   HD22  ASN   1          2HD2      ASN   1 -20.365   1.110  -2.129
    9    H    GLY   2           H        GLY   2 -20.504   4.961  -4.319
   10    HA2  GLY   2          1HA       GLY   2 -21.900   7.124  -3.903
   11    HA3  GLY   2          2HA       GLY   2 -22.795   6.039  -2.846
   12    H    ALA   3           H        ALA   3 -22.263   7.043  -0.925
   13    HA   ALA   3           HA       ALA   3 -19.575   7.784  -0.298
   14    HB1  ALA   3          1HB       ALA   3 -20.447   8.349   1.900
   15    HB2  ALA   3          2HB       ALA   3 -21.962   7.532   1.525
   16    HB3  ALA   3          3HB       ALA   3 -21.500   8.982   0.634
   17    H    ILE   4           H        ILE   4 -21.652   5.033   0.445
   18    HA   ILE   4           HA       ILE   4 -19.782   3.916   2.341
   19    HB   ILE   4           HB       ILE   4 -22.149   2.523   1.079
   20   HG12  ILE   4          1HG1      ILE   4 -22.070   4.189   3.613
   21   HG13  ILE   4          2HG1      ILE   4 -22.843   4.670   2.104
   22   HG21  ILE   4          1HG2      ILE   4 -20.574   1.061   2.239
   23   HG22  ILE   4          2HG2      ILE   4 -22.098   1.161   3.117
   24   HG23  ILE   4          3HG2      ILE   4 -20.694   2.062   3.686
   25   HD11  ILE   4          1HD1      ILE   4 -24.469   3.877   3.718
   26   HD12  ILE   4          2HD1      ILE   4 -23.630   2.329   3.825
   27   HD13  ILE   4          3HD1      ILE   4 -24.406   2.810   2.317
   28    H    CYS   5           H        CYS   5 -17.889   3.630   1.199
   29    HA   CYS   5           HA       CYS   5 -17.987   1.848  -1.138
   30    HB2  CYS   5          1HB       CYS   5 -16.988   4.161  -1.367
   31    HB3  CYS   5          2HB       CYS   5 -15.701   3.633  -0.289
   32    HG   CYS   5           HG       CYS   5 -15.535   1.323  -2.349
   33    H    TRP   6           H        TRP   6 -17.081   1.988   2.125
   34    HA   TRP   6           HA       TRP   6 -15.311  -0.337   1.787
   35    HB2  TRP   6          1HB       TRP   6 -15.309   1.779   3.945
   36    HB3  TRP   6          2HB       TRP   6 -14.340   0.316   4.005
   37    HD1  TRP   6           HD1      TRP   6 -12.203   0.190   2.439
   38    HE1  TRP   6           HE1      TRP   6 -10.894   1.981   1.131
   39    HE3  TRP   6           HE3      TRP   6 -15.624   3.977   2.610
   40    HZ2  TRP   6           HZ2      TRP   6 -11.269   4.647   0.285
   41    HZ3  TRP   6           HZ3      TRP   6 -15.072   6.116   1.530
   42    HH2  TRP   6           HH2      TRP   6 -12.940   6.441   0.393
   43    H    GLY   7           H        GLY   7 -16.299  -2.162   2.311
   44    HA2  GLY   7          1HA       GLY   7 -18.513  -2.123   4.210
   45    HA3  GLY   7          2HA       GLY   7 -18.048  -3.469   3.181
   46    HA   PRO   8           HA       PRO   8 -16.761  -4.603   7.460
   47    HB2  PRO   8          1HB       PRO   8 -17.110  -7.313   6.350
   48    HB3  PRO   8          2HB       PRO   8 -17.797  -6.601   7.812
   49    HG2  PRO   8          1HG       PRO   8 -19.303  -7.076   5.656
   50    HG3  PRO   8          2HG       PRO   8 -19.569  -5.654   6.680
   51    HD2  PRO   8          1HD       PRO   8 -18.188  -5.848   4.031
   52    HD3  PRO   8          2HD       PRO   8 -19.306  -4.607   4.630
   53    H    CYS   9           H        CYS   9 -15.697  -5.799   4.341
   54    HA   CYS   9           HA       CYS   9 -12.965  -5.951   5.318
   55    HB2  CYS   9          1HB       CYS   9 -13.898  -8.203   5.743
   56    HB3  CYS   9          2HB       CYS   9 -14.338  -8.332   4.044
   57    HG   CYS   9           HG       CYS   9 -11.928  -9.784   5.020
   58    HA   PRO  10           HA       PRO  10 -13.205  -4.118   1.106
   59    HB2  PRO  10          1HB       PRO  10 -10.697  -2.882   2.040
   60    HB3  PRO  10          2HB       PRO  10 -12.136  -2.116   1.364
   61    HG2  PRO  10          1HG       PRO  10 -11.519  -1.894   3.964
   62    HG3  PRO  10          2HG       PRO  10 -13.199  -2.003   3.408
   63    HD2  PRO  10          1HD       PRO  10 -11.468  -4.120   4.627
   64    HD3  PRO  10          2HD       PRO  10 -13.189  -3.778   4.898
   65    H    THR  11           H        THR  11 -12.513  -5.448  -0.432
   66    HA   THR  11           HA       THR  11 -10.045  -6.963   0.022
   67    HB   THR  11           HB       THR  11 -12.185  -7.452  -2.055
   68    HG1  THR  11           HG1      THR  11 -12.637  -7.606   0.412
   69   HG21  THR  11          1HG2      THR  11 -10.021  -9.248  -0.949
   70   HG22  THR  11          2HG2      THR  11 -10.014  -8.492  -2.542
   71   HG23  THR  11          3HG2      THR  11 -11.232  -9.705  -2.146
   72    H    ALA  12           H        ALA  12 -11.661  -4.911  -2.360
   73    HA   ALA  12           HA       ALA  12  -9.598  -5.155  -4.317
   74    HB1  ALA  12          1HB       ALA  12 -11.766  -3.075  -4.102
   75    HB2  ALA  12          2HB       ALA  12 -11.927  -4.636  -4.904
   76    HB3  ALA  12          3HB       ALA  12 -10.799  -3.433  -5.531
   77    H    PHE  13           H        PHE  13 -10.291  -2.923  -1.711
   78    HA   PHE  13           HA       PHE  13  -8.444  -0.922  -2.500
   79    HB2  PHE  13          1HB       PHE  13  -9.778  -1.548   0.118
   80    HB3  PHE  13          2HB       PHE  13  -8.616  -0.239  -0.045
   81    HD1  PHE  13           HD1      PHE  13 -12.013  -1.231  -0.476
   82    HD2  PHE  13           HD2      PHE  13  -9.078   1.558  -1.768
   83    HE1  PHE  13           HE1      PHE  13 -13.789   0.246  -1.304
   84    HE2  PHE  13           HE2      PHE  13 -10.848   3.045  -2.594
   85    HZ   PHE  13           HZ       PHE  13 -13.208   2.392  -2.365
   86    H    ARG  14           H        ARG  14  -8.038  -3.978  -0.971
   87    HA   ARG  14           HA       ARG  14  -5.472  -3.354   0.173
   88    HB2  ARG  14          1HB       ARG  14  -6.813  -6.015  -0.334
   89    HB3  ARG  14          2HB       ARG  14  -5.279  -5.817   0.498
   90    HG2  ARG  14          1HG       ARG  14  -6.442  -4.423   2.191
   91    HG3  ARG  14          2HG       ARG  14  -7.966  -4.803   1.392
   92    HD2  ARG  14          1HD       ARG  14  -6.068  -6.751   2.704
   93    HD3  ARG  14          2HD       ARG  14  -7.670  -6.281   3.273
   94    HE   ARG  14           HE       ARG  14  -7.289  -7.695   0.710
   95   HH11  ARG  14          1HH1      ARG  14  -8.785  -7.434   3.860
   96   HH12  ARG  14          2HH1      ARG  14  -9.909  -8.721   3.576
   97   HH21  ARG  14          1HH2      ARG  14  -8.722  -9.412   0.343
   98   HH22  ARG  14          2HH2      ARG  14  -9.864  -9.862   1.570
   99    H    GLN  15           H        GLN  15  -6.638  -4.030  -2.907
  100    HA   GLN  15           HA       GLN  15  -4.047  -4.951  -3.897
  101    HB2  GLN  15          1HB       GLN  15  -6.095  -6.077  -4.701
  102    HB3  GLN  15          2HB       GLN  15  -6.675  -4.550  -5.336
  103    HG2  GLN  15          1HG       GLN  15  -5.810  -5.836  -7.138
  104    HG3  GLN  15          2HG       GLN  15  -4.722  -4.483  -6.848
  105   HE21  GLN  15          1HE2      GLN  15  -4.808  -7.313  -4.806
  106   HE22  GLN  15          2HE2      GLN  15  -3.270  -7.938  -5.278
  107    H    ILE  16           H        ILE  16  -6.259  -2.223  -4.015
  108    HA   ILE  16           HA       ILE  16  -4.763  -0.738  -5.946
  109    HB   ILE  16           HB       ILE  16  -6.853   0.216  -3.979
  110   HG12  ILE  16          1HG1      ILE  16  -7.689  -1.463  -5.605
  111   HG13  ILE  16          2HG1      ILE  16  -8.413   0.124  -5.854
  112   HG21  ILE  16          1HG2      ILE  16  -7.045   2.184  -5.456
  113   HG22  ILE  16          2HG2      ILE  16  -5.674   1.593  -6.393
  114   HG23  ILE  16          3HG2      ILE  16  -5.454   2.057  -4.706
  115   HD11  ILE  16          1HD1      ILE  16  -6.860   0.517  -7.713
  116   HD12  ILE  16          2HD1      ILE  16  -7.874  -0.904  -7.968
  117   HD13  ILE  16          3HD1      ILE  16  -6.191  -1.098  -7.477
  118    H    GLY  17           H        GLY  17  -5.126  -0.559  -2.415
  119    HA2  GLY  17          1HA       GLY  17  -3.208   1.588  -2.207
  120    HA3  GLY  17          2HA       GLY  17  -4.022   0.778  -0.879
  121    H    ASN  18           H        ASN  18  -1.783   1.064  -0.004
  122    HA   ASN  18           HA       ASN  18   0.008  -1.093  -0.904
  123    HB2  ASN  18          1HB       ASN  18   0.937   1.205  -1.056
  124    HB3  ASN  18          2HB       ASN  18   0.679   1.406   0.670
  125   HD21  ASN  18          1HD2      ASN  18   2.552  -0.227  -1.773
  126   HD22  ASN  18          2HD2      ASN  18   3.833  -0.729  -0.727
  127    H    CYS  19           H        CYS  19   0.891  -2.500   0.632
  128    HA   CYS  19           HA       CYS  19  -0.894  -3.029   2.816
  129    HB2  CYS  19          1HB       CYS  19   0.528  -5.037   3.158
  130    HB3  CYS  19          2HB       CYS  19  -0.071  -4.880   1.510
  131    HG   CYS  19           HG       CYS  19   2.536  -5.886   1.438
  132    H    GLY  20           H        GLY  20   1.802  -1.098   2.540
  133    HA2  GLY  20          1HA       GLY  20   2.975  -1.604   5.119
  134    HA3  GLY  20          2HA       GLY  20   3.348  -0.263   4.043
  135    H    ARG  21           H        ARG  21   0.457  -1.381   5.778
  136    HA   ARG  21           HA       ARG  21  -0.169   1.364   6.511
  137    HB2  ARG  21          1HB       ARG  21  -1.653  -1.184   7.182
  138    HB3  ARG  21          2HB       ARG  21  -2.258   0.458   7.366
  139    HG2  ARG  21          1HG       ARG  21  -2.045   0.735   4.900
  140    HG3  ARG  21          2HG       ARG  21  -1.639  -0.980   4.798
  141    HD2  ARG  21          1HD       ARG  21  -3.970  -0.725   4.326
  142    HD3  ARG  21          2HD       ARG  21  -3.803  -1.494   5.903
  143    HE   ARG  21           HE       ARG  21  -4.018   1.121   6.536
  144   HH11  ARG  21          1HH1      ARG  21  -5.915  -1.012   4.521
  145   HH12  ARG  21          2HH1      ARG  21  -7.403  -0.157   4.784
  146   HH21  ARG  21          1HH2      ARG  21  -5.984   2.258   6.892
  147   HH22  ARG  21          2HH2      ARG  21  -7.440   1.698   6.133
  148    H    PHE  22           H        PHE  22   1.265  -1.441   7.798
  149    HA   PHE  22           HA       PHE  22   1.265  -0.415  10.527
  150    HB2  PHE  22          1HB       PHE  22   2.385  -2.544  11.076
  151    HB3  PHE  22          2HB       PHE  22   0.881  -2.828  10.212
  152    HD1  PHE  22           HD1      PHE  22   0.932  -3.539   7.849
  153    HD2  PHE  22           HD2      PHE  22   4.481  -3.181  10.169
  154    HE1  PHE  22           HE1      PHE  22   2.146  -4.889   6.198
  155    HE2  PHE  22           HE2      PHE  22   5.697  -4.539   8.521
  156    HZ   PHE  22           HZ       PHE  22   4.531  -5.394   6.530
  157    H    ARG  23           H        ARG  23   3.458  -0.410  11.627
  158    HA   ARG  23           HA       ARG  23   5.399   0.798   9.808
  159    HB2  ARG  23          1HB       ARG  23   5.231   0.783  12.822
  160    HB3  ARG  23          2HB       ARG  23   6.572   1.476  11.924
  161    HG2  ARG  23          1HG       ARG  23   4.802   2.909  10.753
  162    HG3  ARG  23          2HG       ARG  23   3.729   2.409  12.063
  163    HD2  ARG  23          1HD       ARG  23   4.789   4.544  12.577
  164    HD3  ARG  23          2HD       ARG  23   5.323   3.291  13.701
  165    HE   ARG  23           HE       ARG  23   7.100   3.511  11.486
  166   HH11  ARG  23          1HH1      ARG  23   6.211   5.051  14.496
  167   HH12  ARG  23          2HH1      ARG  23   7.764   5.791  14.722
  168   HH21  ARG  23          1HH2      ARG  23   9.161   4.452  11.796
  169   HH22  ARG  23          2HH2      ARG  23   9.449   5.440  13.193
  170    H    VAL  24           H        VAL  24   7.207  -0.168   9.241
  171    HA   VAL  24           HA       VAL  24   7.569  -2.917   9.678
  172    HB   VAL  24           HB       VAL  24   8.379  -1.641   7.684
  173   HG11  VAL  24          1HG1      VAL  24   9.382   0.258   8.812
  174   HG12  VAL  24          2HG1      VAL  24  10.569  -0.553   7.793
  175   HG13  VAL  24          3HG1      VAL  24  10.596  -0.792   9.539
  176   HG21  VAL  24          1HG2      VAL  24  10.430  -3.344   9.096
  177   HG22  VAL  24          2HG2      VAL  24  10.421  -2.969   7.373
  178   HG23  VAL  24          3HG2      VAL  24   9.114  -3.923   8.073
  179    H    ARG  25           H        ARG  25   8.546  -0.198  11.525
  180    HA   ARG  25           HA       ARG  25  10.778  -1.182  12.874
  181    HB2  ARG  25          1HB       ARG  25   9.886   1.144  13.040
  182    HB3  ARG  25          2HB       ARG  25   8.562   0.531  14.023
  183    HG2  ARG  25          1HG       ARG  25  10.108  -0.169  15.740
  184    HG3  ARG  25          2HG       ARG  25  11.477   0.330  14.745
  185    HD2  ARG  25          1HD       ARG  25  11.063   2.033  16.390
  186    HD3  ARG  25          2HD       ARG  25  10.615   2.655  14.808
  187    HE   ARG  25           HE       ARG  25   8.321   1.575  15.975
  188   HH11  ARG  25          1HH1      ARG  25  10.546   4.231  16.471
  189   HH12  ARG  25          2HH1      ARG  25   9.371   5.240  17.255
  190   HH21  ARG  25          1HH2      ARG  25   6.769   2.897  16.995
  191   HH22  ARG  25          2HH2      ARG  25   7.216   4.475  17.561
  192    H    CYS  26           H        CYS  26   7.347  -1.807  13.330
  193    HA   CYS  26           HA       CYS  26   7.567  -3.172  15.806
  194    HB2  CYS  26          1HB       CYS  26   5.431  -3.475  13.681
  195    HB3  CYS  26          2HB       CYS  26   5.295  -3.946  15.372
  196    HG   CYS  26           HG       CYS  26   4.463  -1.688  16.260
  197    H    CYS  27           H        CYS  27   7.946  -4.143  12.481
  198    HA   CYS  27           HA       CYS  27   7.982  -6.967  13.138
  199    HB2  CYS  27          1HB       CYS  27   8.652  -5.606  10.520
  200    HB3  CYS  27          2HB       CYS  27   8.320  -7.319  10.761
  201    HG   CYS  27           HG       CYS  27   5.754  -7.203  10.583
  202    H    ARG  28           H        ARG  28  10.203  -4.357  12.602
  203    HA   ARG  28           HA       ARG  28  12.513  -5.926  12.075
  204    HB2  ARG  28          1HB       ARG  28  12.227  -3.517  11.444
  205    HB3  ARG  28          2HB       ARG  28  12.374  -3.100  13.145
  206    HG2  ARG  28          1HG       ARG  28  14.636  -4.050  13.170
  207    HG3  ARG  28          2HG       ARG  28  14.486  -4.414  11.448
  208    HD2  ARG  28          1HD       ARG  28  15.708  -2.343  11.746
  209    HD3  ARG  28          2HD       ARG  28  14.146  -2.016  10.998
  210    HE   ARG  28           HE       ARG  28  14.507  -1.679  13.896
  211   HH11  ARG  28          1HH1      ARG  28  13.707  -0.345  10.755
  212   HH12  ARG  28          2HH1      ARG  28  13.189   1.179  11.401
  213   HH21  ARG  28          1HH2      ARG  28  13.824   0.330  14.739
  214   HH22  ARG  28          2HH2      ARG  28  13.269   1.568  13.654
  215    H    ILE  29           H        ILE  29  10.988  -4.743  14.999
  216    HA   ILE  29           HA       ILE  29  13.209  -5.413  16.697
  217    HB   ILE  29           HB       ILE  29  11.653  -5.046  18.578
  218   HG12  ILE  29          1HG1      ILE  29   9.603  -4.498  16.418
  219   HG13  ILE  29          2HG1      ILE  29   9.608  -5.899  17.486
  220   HG21  ILE  29          1HG2      ILE  29  12.868  -3.160  17.672
  221   HG22  ILE  29          2HG2      ILE  29  11.255  -2.648  18.166
  222   HG23  ILE  29          3HG2      ILE  29  11.615  -2.901  16.459
  223   HD11  ILE  29          1HD1      ILE  29   9.291  -3.030  18.338
  224   HD12  ILE  29          2HD1      ILE  29   9.293  -4.431  19.409
  225   HD13  ILE  29          3HD1      ILE  29   8.007  -4.231  18.219
  226    H    ARG  30           H        ARG  30  10.950  -7.212  15.076
  227    HA   ARG  30           HA       ARG  30  10.361  -9.399  15.048
  228    HB2  ARG  30          1HB       ARG  30  12.663  -9.828  16.958
  229    HB3  ARG  30          2HB       ARG  30  11.932 -11.020  15.895
  230    HG2  ARG  30          1HG       ARG  30  13.521  -8.608  15.054
  231    HG3  ARG  30          2HG       ARG  30  14.052 -10.290  15.011
  232    HD2  ARG  30          1HD       ARG  30  12.380 -10.815  13.344
  233    HD3  ARG  30          2HD       ARG  30  11.713  -9.185  13.453
  234    HE   ARG  30           HE       ARG  30  14.505  -9.272  12.736
  235   HH11  ARG  30          1HH1      ARG  30  11.229  -9.372  11.520
  236   HH12  ARG  30          2HH1      ARG  30  11.652  -8.758   9.953
  237   HH21  ARG  30          1HH2      ARG  30  15.073  -8.459  10.677
  238   HH22  ARG  30          2HH2      ARG  30  13.842  -8.254   9.471
  Start of MODEL    9
    1    H1   ASN   1          1H        ASN   1 -17.376 -11.555   1.244
    2    H2   ASN   1          2H        ASN   1 -17.346 -10.101   0.376
    3    H3   ASN   1          3H        ASN   1 -17.146 -10.089   2.056
    4    HA   ASN   1           HA       ASN   1 -15.057  -9.765   0.835
    5    HB2  ASN   1          1HB       ASN   1 -15.295 -12.297   2.477
    6    HB3  ASN   1          2HB       ASN   1 -13.781 -11.482   2.106
    7   HD21  ASN   1          1HD2      ASN   1 -13.344 -11.140   4.291
    8   HD22  ASN   1          2HD2      ASN   1 -14.201  -9.962   5.220
    9    H    GLY   2           H        GLY   2 -13.826 -10.302  -0.883
   10    HA2  GLY   2          1HA       GLY   2 -12.959 -11.644  -2.588
   11    HA3  GLY   2          2HA       GLY   2 -13.995 -12.958  -2.053
   12    H    ALA   3           H        ALA   3 -16.171 -13.038  -2.770
   13    HA   ALA   3           HA       ALA   3 -16.593 -12.071  -5.408
   14    HB1  ALA   3          1HB       ALA   3 -18.586 -13.235  -3.462
   15    HB2  ALA   3          2HB       ALA   3 -17.609 -14.150  -4.608
   16    HB3  ALA   3          3HB       ALA   3 -18.836 -13.026  -5.194
   17    H    ILE   4           H        ILE   4 -18.042 -11.228  -2.283
   18    HA   ILE   4           HA       ILE   4 -18.967  -8.685  -3.407
   19    HB   ILE   4           HB       ILE   4 -19.446  -9.876  -0.660
   20   HG12  ILE   4          1HG1      ILE   4 -20.553 -11.157  -2.447
   21   HG13  ILE   4          2HG1      ILE   4 -21.733 -10.309  -1.447
   22   HG21  ILE   4          1HG2      ILE   4 -19.513  -7.434  -0.646
   23   HG22  ILE   4          2HG2      ILE   4 -21.117  -8.116  -0.382
   24   HG23  ILE   4          3HG2      ILE   4 -20.690  -7.452  -1.959
   25   HD11  ILE   4          1HD1      ILE   4 -21.938  -8.585  -3.179
   26   HD12  ILE   4          2HD1      ILE   4 -22.328 -10.192  -3.792
   27   HD13  ILE   4          3HD1      ILE   4 -20.771  -9.458  -4.173
   28    H    CYS   5           H        CYS   5 -17.361  -7.230  -3.457
   29    HA   CYS   5           HA       CYS   5 -15.130  -7.385  -1.664
   30    HB2  CYS   5          1HB       CYS   5 -14.836  -6.700  -4.000
   31    HB3  CYS   5          2HB       CYS   5 -15.842  -5.282  -3.718
   32    HG   CYS   5           HG       CYS   5 -13.946  -3.737  -2.953
   33    H    TRP   6           H        TRP   6 -17.991  -5.382  -1.942
   34    HA   TRP   6           HA       TRP   6 -17.005  -3.433  -0.069
   35    HB2  TRP   6          1HB       TRP   6 -19.758  -3.740  -1.283
   36    HB3  TRP   6          2HB       TRP   6 -19.181  -2.343  -0.386
   37    HD1  TRP   6           HD1      TRP   6 -19.377  -3.701  -3.838
   38    HE1  TRP   6           HE1      TRP   6 -18.031  -2.223  -5.458
   39    HE3  TRP   6           HE3      TRP   6 -16.847  -0.842  -0.435
   40    HZ2  TRP   6           HZ2      TRP   6 -16.151  -0.124  -5.312
   41    HZ3  TRP   6           HZ3      TRP   6 -15.295   0.871  -1.261
   42    HH2  TRP   6           HH2      TRP   6 -14.955   1.224  -3.647
   43    H    GLY   7           H        GLY   7 -17.166  -3.542   2.053
   44    HA2  GLY   7          1HA       GLY   7 -19.348  -4.402   3.539
   45    HA3  GLY   7          2HA       GLY   7 -18.289  -5.792   3.349
   46    HA   PRO   8           HA       PRO   8 -16.651  -3.839   7.130
   47    HB2  PRO   8          1HB       PRO   8 -15.396  -6.492   7.411
   48    HB3  PRO   8          2HB       PRO   8 -16.428  -5.614   8.545
   49    HG2  PRO   8          1HG       PRO   8 -17.308  -7.779   7.234
   50    HG3  PRO   8          2HG       PRO   8 -18.374  -6.409   7.596
   51    HD2  PRO   8          1HD       PRO   8 -17.016  -7.127   5.024
   52    HD3  PRO   8          2HD       PRO   8 -18.665  -6.525   5.300
   53    H    CYS   9           H        CYS   9 -14.987  -5.882   4.792
   54    HA   CYS   9           HA       CYS   9 -12.726  -4.049   4.802
   55    HB2  CYS   9          1HB       CYS   9 -11.144  -6.023   4.835
   56    HB3  CYS   9          2HB       CYS   9 -11.953  -5.689   6.363
   57    HG   CYS   9           HG       CYS   9 -13.002  -8.094   4.171
   58    HA   PRO  10           HA       PRO  10 -13.734  -4.880   0.506
   59    HB2  PRO  10          1HB       PRO  10 -11.766  -2.827  -0.107
   60    HB3  PRO  10          2HB       PRO  10 -13.507  -2.809  -0.380
   61    HG2  PRO  10          1HG       PRO  10 -12.284  -1.238   1.462
   62    HG3  PRO  10          2HG       PRO  10 -13.944  -1.833   1.641
   63    HD2  PRO  10          1HD       PRO  10 -11.428  -2.829   2.916
   64    HD3  PRO  10          2HD       PRO  10 -13.053  -2.660   3.606
   65    H    THR  11           H        THR  11 -12.880  -6.539  -0.518
   66    HA   THR  11           HA       THR  11 -10.288  -7.541  -0.030
   67    HB   THR  11           HB       THR  11 -12.095  -8.254  -2.348
   68    HG1  THR  11           HG1      THR  11 -12.174  -8.977   0.403
   69   HG21  THR  11          1HG2      THR  11  -9.835  -9.217  -2.432
   70   HG22  THR  11          2HG2      THR  11 -11.054 -10.458  -2.143
   71   HG23  THR  11          3HG2      THR  11 -10.059  -9.874  -0.809
   72    H    ALA  12           H        ALA  12 -11.651  -5.566  -2.600
   73    HA   ALA  12           HA       ALA  12  -9.358  -5.738  -4.306
   74    HB1  ALA  12          1HB       ALA  12 -10.462  -4.046  -5.648
   75    HB2  ALA  12          2HB       ALA  12 -11.617  -3.743  -4.352
   76    HB3  ALA  12          3HB       ALA  12 -11.610  -5.299  -5.181
   77    H    PHE  13           H        PHE  13 -10.189  -3.883  -1.557
   78    HA   PHE  13           HA       PHE  13  -8.669  -1.559  -2.036
   79    HB2  PHE  13          1HB       PHE  13 -10.326  -1.557  -0.301
   80    HB3  PHE  13          2HB       PHE  13  -9.532  -2.880   0.538
   81    HD1  PHE  13           HD1      PHE  13  -8.757   0.565  -0.671
   82    HD2  PHE  13           HD2      PHE  13  -8.290  -2.363   2.379
   83    HE1  PHE  13           HE1      PHE  13  -7.499   2.181   0.689
   84    HE2  PHE  13           HE2      PHE  13  -7.033  -0.754   3.740
   85    HZ   PHE  13           HZ       PHE  13  -6.633   1.522   2.898
   86    H    ARG  14           H        ARG  14  -7.760  -4.769  -1.238
   87    HA   ARG  14           HA       ARG  14  -5.236  -4.268  -0.081
   88    HB2  ARG  14          1HB       ARG  14  -6.313  -6.472  -0.000
   89    HB3  ARG  14          2HB       ARG  14  -6.168  -6.616  -1.746
   90    HG2  ARG  14          1HG       ARG  14  -3.733  -6.590  -1.543
   91    HG3  ARG  14          2HG       ARG  14  -3.884  -6.470   0.208
   92    HD2  ARG  14          1HD       ARG  14  -5.011  -8.626   0.281
   93    HD3  ARG  14          2HD       ARG  14  -4.942  -8.737  -1.476
   94    HE   ARG  14           HE       ARG  14  -2.338  -8.393  -0.444
   95   HH11  ARG  14          1HH1      ARG  14  -4.892 -10.772  -0.608
   96   HH12  ARG  14          2HH1      ARG  14  -3.814 -12.129  -0.585
   97   HH21  ARG  14          1HH2      ARG  14  -0.905 -10.178  -0.400
   98   HH22  ARG  14          2HH2      ARG  14  -1.541 -11.790  -0.453
   99    H    GLN  15           H        GLN  15  -6.413  -4.224  -3.347
  100    HA   GLN  15           HA       GLN  15  -3.736  -3.972  -4.460
  101    HB2  GLN  15          1HB       GLN  15  -5.406  -5.307  -5.673
  102    HB3  GLN  15          2HB       GLN  15  -6.446  -3.899  -5.796
  103    HG2  GLN  15          1HG       GLN  15  -5.294  -4.297  -7.879
  104    HG3  GLN  15          2HG       GLN  15  -4.776  -2.772  -7.163
  105   HE21  GLN  15          1HE2      GLN  15  -2.699  -2.587  -6.344
  106   HE22  GLN  15          2HE2      GLN  15  -1.451  -3.723  -6.732
  107    H    ILE  16           H        ILE  16  -6.522  -2.040  -3.665
  108    HA   ILE  16           HA       ILE  16  -5.728   0.308  -5.062
  109    HB   ILE  16           HB       ILE  16  -7.580   0.030  -2.684
  110   HG12  ILE  16          1HG1      ILE  16  -8.187   0.170  -5.653
  111   HG13  ILE  16          2HG1      ILE  16  -8.310  -1.275  -4.654
  112   HG21  ILE  16          1HG2      ILE  16  -7.252   2.305  -4.642
  113   HG22  ILE  16          2HG2      ILE  16  -6.768   2.312  -2.947
  114   HG23  ILE  16          3HG2      ILE  16  -8.474   2.204  -3.375
  115   HD11  ILE  16          1HD1      ILE  16 -10.083  -0.241  -3.353
  116   HD12  ILE  16          2HD1      ILE  16 -10.488  -0.269  -5.070
  117   HD13  ILE  16          3HD1      ILE  16  -9.945   1.229  -4.317
  118    H    GLY  17           H        GLY  17  -5.209  -0.958  -1.829
  119    HA2  GLY  17          1HA       GLY  17  -3.838   1.419  -0.921
  120    HA3  GLY  17          2HA       GLY  17  -4.027  -0.087  -0.034
  121    H    ASN  18           H        ASN  18  -2.271   1.419  -2.696
  122    HA   ASN  18           HA       ASN  18  -0.143  -0.557  -2.491
  123    HB2  ASN  18          1HB       ASN  18  -0.707   0.175  -4.728
  124    HB3  ASN  18          2HB       ASN  18  -0.489   1.859  -4.278
  125   HD21  ASN  18          1HD2      ASN  18   1.121  -1.147  -4.993
  126   HD22  ASN  18          2HD2      ASN  18   2.694  -0.471  -5.218
  127    H    CYS  19           H        CYS  19  -0.880   2.689  -1.515
  128    HA   CYS  19           HA       CYS  19   1.806   3.210  -0.560
  129    HB2  CYS  19          1HB       CYS  19   0.793   5.310   0.314
  130    HB3  CYS  19          2HB       CYS  19   0.523   5.082  -1.410
  131    HG   CYS  19           HG       CYS  19  -1.916   3.924   0.594
  132    H    GLY  20           H        GLY  20   2.424   3.287   1.605
  133    HA2  GLY  20          1HA       GLY  20   0.685   1.744   3.398
  134    HA3  GLY  20          2HA       GLY  20   2.417   1.979   3.595
  135    H    ARG  21           H        ARG  21  -0.714   3.154   4.344
  136    HA   ARG  21           HA       ARG  21   0.076   5.762   5.208
  137    HB2  ARG  21          1HB       ARG  21  -2.361   4.129   5.942
  138    HB3  ARG  21          2HB       ARG  21  -2.137   5.832   6.309
  139    HG2  ARG  21          1HG       ARG  21  -2.095   6.354   3.935
  140    HG3  ARG  21          2HG       ARG  21  -2.278   4.643   3.545
  141    HD2  ARG  21          1HD       ARG  21  -4.423   5.748   3.375
  142    HD3  ARG  21          2HD       ARG  21  -4.437   4.629   4.737
  143    HE   ARG  21           HE       ARG  21  -3.704   7.195   5.640
  144   HH11  ARG  21          1HH1      ARG  21  -6.486   5.473   4.400
  145   HH12  ARG  21          2HH1      ARG  21  -7.635   6.445   5.263
  146   HH21  ARG  21          1HH2      ARG  21  -5.216   8.481   6.780
  147   HH22  ARG  21          2HH2      ARG  21  -6.911   8.146   6.626
  148    H    PHE  22           H        PHE  22  -0.013   2.605   6.575
  149    HA   PHE  22           HA       PHE  22   0.777   3.625   9.214
  150    HB2  PHE  22          1HB       PHE  22   0.177   1.371  10.038
  151    HB3  PHE  22          2HB       PHE  22  -1.182   2.155   9.243
  152    HD1  PHE  22           HD1      PHE  22  -1.939   1.393   7.037
  153    HD2  PHE  22           HD2      PHE  22   1.166  -0.607   9.151
  154    HE1  PHE  22           HE1      PHE  22  -2.199  -0.558   5.570
  155    HE2  PHE  22           HE2      PHE  22   0.907  -2.562   7.684
  156    HZ   PHE  22           HZ       PHE  22  -0.776  -2.540   5.890
  157    H    ARG  23           H        ARG  23   2.403   2.192  10.346
  158    HA   ARG  23           HA       ARG  23   4.543   1.515   8.475
  159    HB2  ARG  23          1HB       ARG  23   4.518   1.895  11.472
  160    HB3  ARG  23          2HB       ARG  23   5.919   1.312  10.590
  161    HG2  ARG  23          1HG       ARG  23   5.853   3.426   9.251
  162    HG3  ARG  23          2HG       ARG  23   4.604   4.005  10.358
  163    HD2  ARG  23          1HD       ARG  23   6.855   4.797  10.979
  164    HD3  ARG  23          2HD       ARG  23   6.123   3.794  12.232
  165    HE   ARG  23           HE       ARG  23   7.568   2.009  10.815
  166   HH11  ARG  23          1HH1      ARG  23   8.383   5.105  12.220
  167   HH12  ARG  23          2HH1      ARG  23  10.035   4.680  12.523
  168   HH21  ARG  23          1HH2      ARG  23   9.737   1.431  11.224
  169   HH22  ARG  23          2HH2      ARG  23  10.801   2.576  11.970
  170    H    VAL  24           H        VAL  24   5.586  -0.460   8.486
  171    HA   VAL  24           HA       VAL  24   3.904  -2.696   8.700
  172    HB   VAL  24           HB       VAL  24   6.918  -2.630   8.486
  173   HG11  VAL  24          1HG1      VAL  24   4.977  -4.855   7.864
  174   HG12  VAL  24          2HG1      VAL  24   6.105  -4.811   9.219
  175   HG13  VAL  24          3HG1      VAL  24   6.714  -4.886   7.568
  176   HG21  VAL  24          1HG2      VAL  24   4.796  -2.803   6.346
  177   HG22  VAL  24          2HG2      VAL  24   6.533  -2.935   6.079
  178   HG23  VAL  24          3HG2      VAL  24   5.845  -1.422   6.665
  179    H    ARG  25           H        ARG  25   6.359  -1.395  10.866
  180    HA   ARG  25           HA       ARG  25   6.457  -3.507  12.704
  181    HB2  ARG  25          1HB       ARG  25   8.077  -1.693  12.763
  182    HB3  ARG  25          2HB       ARG  25   6.809  -0.533  13.134
  183    HG2  ARG  25          1HG       ARG  25   6.429  -1.616  15.280
  184    HG3  ARG  25          2HG       ARG  25   7.685  -2.802  14.911
  185    HD2  ARG  25          1HD       ARG  25   9.360  -1.046  14.846
  186    HD3  ARG  25          2HD       ARG  25   8.119   0.176  15.110
  187    HE   ARG  25           HE       ARG  25   7.995  -1.666  17.208
  188   HH11  ARG  25          1HH1      ARG  25  10.158   0.785  15.960
  189   HH12  ARG  25          2HH1      ARG  25  10.857   1.141  17.509
  190   HH21  ARG  25          1HH2      ARG  25   8.894  -1.177  19.258
  191   HH22  ARG  25          2HH2      ARG  25  10.122   0.041  19.381
  192    H    CYS  26           H        CYS  26   4.299  -0.729  12.459
  193    HA   CYS  26           HA       CYS  26   2.889  -1.141  14.862
  194    HB2  CYS  26          1HB       CYS  26   2.836   0.974  13.597
  195    HB3  CYS  26          2HB       CYS  26   1.966   0.174  12.295
  196    HG   CYS  26           HG       CYS  26  -0.195   1.233  13.256
  197    H    CYS  27           H        CYS  27   2.488  -2.378  11.606
  198    HA   CYS  27           HA       CYS  27  -0.036  -3.632  12.110
  199    HB2  CYS  27          1HB       CYS  27   0.671  -2.930   9.850
  200    HB3  CYS  27          2HB       CYS  27   1.971  -4.116   9.893
  201    HG   CYS  27           HG       CYS  27  -0.652  -5.838  10.521
  202    H    ARG  28           H        ARG  28   3.242  -4.475  12.691
  203    HA   ARG  28           HA       ARG  28   2.744  -7.321  12.751
  204    HB2  ARG  28          1HB       ARG  28   5.086  -5.584  12.786
  205    HB3  ARG  28          2HB       ARG  28   5.217  -6.909  13.929
  206    HG2  ARG  28          1HG       ARG  28   6.198  -7.425  11.739
  207    HG3  ARG  28          2HG       ARG  28   4.888  -8.523  12.174
  208    HD2  ARG  28          1HD       ARG  28   3.363  -7.311  10.723
  209    HD3  ARG  28          2HD       ARG  28   4.624  -6.138  10.343
  210    HE   ARG  28           HE       ARG  28   5.636  -8.628   9.680
  211   HH11  ARG  28          1HH1      ARG  28   2.902  -6.671   8.701
  212   HH12  ARG  28          2HH1      ARG  28   2.939  -7.212   7.055
  213   HH21  ARG  28          1HH2      ARG  28   5.677  -9.356   7.526
  214   HH22  ARG  28          2HH2      ARG  28   4.511  -8.750   6.389
  215    H    ILE  29           H        ILE  29   2.735  -4.690  14.997
  216    HA   ILE  29           HA       ILE  29   2.864  -6.536  17.251
  217    HB   ILE  29           HB       ILE  29   4.155  -4.494  17.495
  218   HG12  ILE  29          1HG1      ILE  29   3.187  -3.675  19.654
  219   HG13  ILE  29          2HG1      ILE  29   1.742  -4.625  19.312
  220   HG21  ILE  29          1HG2      ILE  29   3.102  -2.294  17.673
  221   HG22  ILE  29          2HG2      ILE  29   1.549  -3.005  17.235
  222   HG23  ILE  29          3HG2      ILE  29   2.875  -3.003  16.074
  223   HD11  ILE  29          1HD1      ILE  29   3.053  -6.664  19.358
  224   HD12  ILE  29          2HD1      ILE  29   3.254  -5.757  20.858
  225   HD13  ILE  29          3HD1      ILE  29   4.523  -5.730  19.634
  226    H    ARG  30           H        ARG  30   0.618  -4.095  15.938
  227    HA   ARG  30           HA       ARG  30  -1.689  -5.609  16.374
  228    HB2  ARG  30          1HB       ARG  30  -1.222  -5.251  18.766
  229    HB3  ARG  30          2HB       ARG  30  -1.192  -3.513  18.504
  230    HG2  ARG  30          1HG       ARG  30  -3.296  -4.272  19.496
  231    HG3  ARG  30          2HG       ARG  30  -3.533  -3.518  17.920
  232    HD2  ARG  30          1HD       ARG  30  -4.887  -5.557  18.203
  233    HD3  ARG  30          2HD       ARG  30  -3.741  -5.687  16.871
  234    HE   ARG  30           HE       ARG  30  -2.750  -6.743  19.358
  235   HH11  ARG  30          1HH1      ARG  30  -4.617  -7.450  16.482
  236   HH12  ARG  30          2HH1      ARG  30  -4.314  -9.158  16.561
  237   HH21  ARG  30          1HH2      ARG  30  -2.356  -8.975  19.464
  238   HH22  ARG  30          2HH2      ARG  30  -3.049 -10.031  18.269
  Start of MODEL   10
    1    H1   ASN   1          1H        ASN   1 -25.729  -9.854  -0.186
    2    H2   ASN   1          2H        ASN   1 -26.559 -10.134  -1.634
    3    H3   ASN   1          3H        ASN   1 -25.042  -9.392  -1.659
    4    HA   ASN   1           HA       ASN   1 -23.994 -11.376  -0.851
    5    HB2  ASN   1          1HB       ASN   1 -25.822 -12.254   0.492
    6    HB3  ASN   1          2HB       ASN   1 -26.795 -12.510  -0.949
    7   HD21  ASN   1          1HD2      ASN   1 -24.077 -13.632   0.909
    8   HD22  ASN   1          2HD2      ASN   1 -23.917 -15.160   0.114
    9    H    GLY   2           H        GLY   2 -22.837 -12.016  -2.536
   10    HA2  GLY   2          1HA       GLY   2 -23.730 -13.548  -4.645
   11    HA3  GLY   2          2HA       GLY   2 -23.836 -11.886  -5.201
   12    H    ALA   3           H        ALA   3 -22.209 -11.787  -6.657
   13    HA   ALA   3           HA       ALA   3 -19.691 -13.073  -6.263
   14    HB1  ALA   3          1HB       ALA   3 -20.621 -12.690  -8.497
   15    HB2  ALA   3          2HB       ALA   3 -19.022 -11.963  -8.329
   16    HB3  ALA   3          3HB       ALA   3 -20.464 -10.949  -8.263
   17    H    ILE   4           H        ILE   4 -20.970  -9.900  -5.640
   18    HA   ILE   4           HA       ILE   4 -18.555  -8.491  -5.304
   19    HB   ILE   4           HB       ILE   4 -21.249  -8.047  -3.997
   20   HG12  ILE   4          1HG1      ILE   4 -21.267  -7.906  -6.458
   21   HG13  ILE   4          2HG1      ILE   4 -21.558  -6.331  -5.718
   22   HG21  ILE   4          1HG2      ILE   4 -20.484  -5.775  -3.514
   23   HG22  ILE   4          2HG2      ILE   4 -18.887  -6.171  -4.148
   24   HG23  ILE   4          3HG2      ILE   4 -19.484  -6.976  -2.696
   25   HD11  ILE   4          1HD1      ILE   4 -18.969  -7.293  -6.921
   26   HD12  ILE   4          2HD1      ILE   4 -19.207  -5.734  -6.129
   27   HD13  ILE   4          3HD1      ILE   4 -20.080  -6.113  -7.614
   28    H    CYS   5           H        CYS   5 -16.988  -9.065  -3.959
   29    HA   CYS   5           HA       CYS   5 -17.664 -10.392  -1.439
   30    HB2  CYS   5          1HB       CYS   5 -14.965 -10.004  -2.742
   31    HB3  CYS   5          2HB       CYS   5 -15.306 -11.005  -1.337
   32    HG   CYS   5           HG       CYS   5 -17.014 -11.716  -4.166
   33    H    TRP   6           H        TRP   6 -17.445  -7.371  -2.429
   34    HA   TRP   6           HA       TRP   6 -15.771  -6.178  -0.442
   35    HB2  TRP   6          1HB       TRP   6 -16.529  -5.162  -2.685
   36    HB3  TRP   6          2HB       TRP   6 -18.051  -4.820  -1.879
   37    HD1  TRP   6           HD1      TRP   6 -14.541  -3.554  -2.257
   38    HE1  TRP   6           HE1      TRP   6 -14.251  -1.373  -0.920
   39    HE3  TRP   6           HE3      TRP   6 -18.914  -3.635   0.384
   40    HZ2  TRP   6           HZ2      TRP   6 -15.692   0.116   0.998
   41    HZ3  TRP   6           HZ3      TRP   6 -19.383  -1.793   1.944
   42    HH2  TRP   6           HH2      TRP   6 -17.805   0.040   2.243
   43    H    GLY   7           H        GLY   7 -16.253  -6.338   1.656
   44    HA2  GLY   7          1HA       GLY   7 -18.999  -5.712   2.492
   45    HA3  GLY   7          2HA       GLY   7 -18.224  -7.167   3.104
   46    HA   PRO   8           HA       PRO   8 -17.146  -4.275   6.423
   47    HB2  PRO   8          1HB       PRO   8 -15.955  -6.745   7.535
   48    HB3  PRO   8          2HB       PRO   8 -17.112  -5.626   8.264
   49    HG2  PRO   8          1HG       PRO   8 -17.875  -8.043   7.428
   50    HG3  PRO   8          2HG       PRO   8 -18.930  -6.630   7.244
   51    HD2  PRO   8          1HD       PRO   8 -17.227  -8.004   5.201
   52    HD3  PRO   8          2HD       PRO   8 -18.865  -7.341   5.041
   53    H    CYS   9           H        CYS   9 -15.082  -6.634   4.828
   54    HA   CYS   9           HA       CYS   9 -12.803  -4.822   5.246
   55    HB2  CYS   9          1HB       CYS   9 -11.395  -6.974   5.073
   56    HB3  CYS   9          2HB       CYS   9 -12.242  -6.663   6.584
   57    HG   CYS   9           HG       CYS   9 -13.198  -8.859   4.143
   58    HA   PRO  10           HA       PRO  10 -13.543  -4.831   0.760
   59    HB2  PRO  10          1HB       PRO  10 -11.552  -2.651   0.966
   60    HB3  PRO  10          2HB       PRO  10 -13.146  -2.648   0.205
   61    HG2  PRO  10          1HG       PRO  10 -12.733  -1.370   2.503
   62    HG3  PRO  10          2HG       PRO  10 -14.246  -2.248   2.204
   63    HD2  PRO  10          1HD       PRO  10 -11.873  -3.067   3.841
   64    HD3  PRO  10          2HD       PRO  10 -13.603  -3.263   4.187
   65    H    THR  11           H        THR  11 -12.519  -6.364  -0.365
   66    HA   THR  11           HA       THR  11  -9.746  -6.982  -0.001
   67    HB   THR  11           HB       THR  11 -11.582  -7.928  -2.209
   68    HG1  THR  11           HG1      THR  11 -12.064  -9.659  -0.789
   69   HG21  THR  11          1HG2      THR  11 -10.102  -9.879  -2.254
   70   HG22  THR  11          2HG2      THR  11  -9.116  -9.169  -0.977
   71   HG23  THR  11          3HG2      THR  11  -9.197  -8.396  -2.559
   72    H    ALA  12           H        ALA  12 -11.702  -5.365  -2.442
   73    HA   ALA  12           HA       ALA  12  -9.812  -4.971  -4.430
   74    HB1  ALA  12          1HB       ALA  12 -12.054  -3.139  -3.592
   75    HB2  ALA  12          2HB       ALA  12 -12.166  -4.471  -4.742
   76    HB3  ALA  12          3HB       ALA  12 -11.186  -3.056  -5.123
   77    H    PHE  13           H        PHE  13 -10.395  -3.126  -1.488
   78    HA   PHE  13           HA       PHE  13  -8.737  -0.933  -2.091
   79    HB2  PHE  13          1HB       PHE  13 -10.508  -1.071  -0.283
   80    HB3  PHE  13          2HB       PHE  13  -9.341  -1.972   0.675
   81    HD1  PHE  13           HD1      PHE  13 -10.166   1.280  -0.777
   82    HD2  PHE  13           HD2      PHE  13  -7.460  -0.886   1.686
   83    HE1  PHE  13           HE1      PHE  13  -9.226   3.395   0.046
   84    HE2  PHE  13           HE2      PHE  13  -6.515   1.224   2.511
   85    HZ   PHE  13           HZ       PHE  13  -7.397   3.370   1.693
   86    H    ARG  14           H        ARG  14  -8.101  -4.097  -0.778
   87    HA   ARG  14           HA       ARG  14  -5.506  -3.564   0.257
   88    HB2  ARG  14          1HB       ARG  14  -6.734  -6.170  -0.668
   89    HB3  ARG  14          2HB       ARG  14  -5.241  -6.026   0.243
   90    HG2  ARG  14          1HG       ARG  14  -7.950  -5.143   1.220
   91    HG3  ARG  14          2HG       ARG  14  -7.169  -6.671   1.624
   92    HD2  ARG  14          1HD       ARG  14  -6.093  -3.920   2.250
   93    HD3  ARG  14          2HD       ARG  14  -6.875  -5.003   3.400
   94    HE   ARG  14           HE       ARG  14  -4.728  -6.369   2.238
   95   HH11  ARG  14          1HH1      ARG  14  -5.323  -3.682   4.403
   96   HH12  ARG  14          2HH1      ARG  14  -3.801  -3.844   5.223
   97   HH21  ARG  14          1HH2      ARG  14  -2.731  -6.586   3.327
   98   HH22  ARG  14          2HH2      ARG  14  -2.330  -5.487   4.608
   99    H    GLN  15           H        GLN  15  -6.783  -4.291  -2.872
  100    HA   GLN  15           HA       GLN  15  -4.185  -4.867  -4.022
  101    HB2  GLN  15          1HB       GLN  15  -6.911  -4.589  -5.298
  102    HB3  GLN  15          2HB       GLN  15  -5.452  -5.093  -6.136
  103    HG2  GLN  15          1HG       GLN  15  -5.318  -7.095  -4.873
  104    HG3  GLN  15          2HG       GLN  15  -6.594  -6.563  -3.779
  105   HE21  GLN  15          1HE2      GLN  15  -5.855  -7.820  -6.926
  106   HE22  GLN  15          2HE2      GLN  15  -7.471  -8.259  -7.346
  107    H    ILE  16           H        ILE  16  -6.381  -2.224  -3.655
  108    HA   ILE  16           HA       ILE  16  -5.265  -0.543  -5.666
  109    HB   ILE  16           HB       ILE  16  -6.953   0.115  -3.246
  110   HG12  ILE  16          1HG1      ILE  16  -7.626  -0.076  -6.197
  111   HG13  ILE  16          2HG1      ILE  16  -8.099  -1.232  -4.953
  112   HG21  ILE  16          1HG2      ILE  16  -6.113   1.909  -5.524
  113   HG22  ILE  16          2HG2      ILE  16  -5.626   2.058  -3.835
  114   HG23  ILE  16          3HG2      ILE  16  -7.310   2.315  -4.293
  115   HD11  ILE  16          1HD1      ILE  16  -9.451   0.493  -3.872
  116   HD12  ILE  16          2HD1      ILE  16  -9.944   0.224  -5.542
  117   HD13  ILE  16          3HD1      ILE  16  -8.983   1.642  -5.123
  118    H    GLY  17           H        GLY  17  -4.967  -0.587  -2.098
  119    HA2  GLY  17          1HA       GLY  17  -3.331   0.273  -0.724
  120    HA3  GLY  17          2HA       GLY  17  -2.241   0.178  -2.101
  121    H    ASN  18           H        ASN  18  -4.430   2.171  -0.307
  122    HA   ASN  18           HA       ASN  18  -5.030   4.201  -2.024
  123    HB2  ASN  18          1HB       ASN  18  -5.361   5.623  -0.021
  124    HB3  ASN  18          2HB       ASN  18  -6.075   4.028   0.137
  125   HD21  ASN  18          1HD2      ASN  18  -3.767   6.250   1.361
  126   HD22  ASN  18          2HD2      ASN  18  -3.234   5.294   2.700
  127    H    CYS  19           H        CYS  19  -3.867   5.457  -3.215
  128    HA   CYS  19           HA       CYS  19  -2.324   6.943  -3.944
  129    HB2  CYS  19          1HB       CYS  19  -3.147   8.174  -1.946
  130    HB3  CYS  19          2HB       CYS  19  -1.845   7.459  -1.006
  131    HG   CYS  19           HG       CYS  19   0.103   8.649  -2.841
  132    H    GLY  20           H        GLY  20  -1.486   4.247  -3.682
  133    HA2  GLY  20          1HA       GLY  20   0.473   3.068  -3.975
  134    HA3  GLY  20          2HA       GLY  20   1.340   4.599  -3.907
  135    H    ARG  21           H        ARG  21  -0.650   2.730  -1.653
  136    HA   ARG  21           HA       ARG  21   0.801   3.547   0.625
  137    HB2  ARG  21          1HB       ARG  21  -1.552   2.775   0.658
  138    HB3  ARG  21          2HB       ARG  21  -1.001   1.143   0.307
  139    HG2  ARG  21          1HG       ARG  21   0.156   1.026   2.407
  140    HG3  ARG  21          2HG       ARG  21  -0.226   2.715   2.749
  141    HD2  ARG  21          1HD       ARG  21  -1.752   1.337   3.980
  142    HD3  ARG  21          2HD       ARG  21  -2.639   2.120   2.675
  143    HE   ARG  21           HE       ARG  21  -1.671  -0.490   1.969
  144   HH11  ARG  21          1HH1      ARG  21  -4.265   1.280   3.506
  145   HH12  ARG  21          2HH1      ARG  21  -5.409  -0.013   3.353
  146   HH21  ARG  21          1HH2      ARG  21  -3.184  -2.196   1.758
  147   HH22  ARG  21          2HH2      ARG  21  -4.799  -1.985   2.362
  148    H    PHE  22           H        PHE  22   1.110   0.836  -1.538
  149    HA   PHE  22           HA       PHE  22   3.139  -0.426   0.110
  150    HB2  PHE  22          1HB       PHE  22   3.218  -2.054  -1.857
  151    HB3  PHE  22          2HB       PHE  22   1.718  -2.001  -0.943
  152    HD1  PHE  22           HD1      PHE  22  -0.291  -1.018  -1.908
  153    HD2  PHE  22           HD2      PHE  22   3.325  -1.311  -4.132
  154    HE1  PHE  22           HE1      PHE  22  -1.536  -0.598  -3.982
  155    HE2  PHE  22           HE2      PHE  22   2.082  -0.889  -6.210
  156    HZ   PHE  22           HZ       PHE  22  -0.352  -0.529  -6.139
  157    H    ARG  23           H        ARG  23   5.309  -0.618  -0.498
  158    HA   ARG  23           HA       ARG  23   6.165   1.614  -2.181
  159    HB2  ARG  23          1HB       ARG  23   7.691  -0.039  -0.169
  160    HB3  ARG  23          2HB       ARG  23   8.405   1.239  -1.142
  161    HG2  ARG  23          1HG       ARG  23   6.836   2.848  -0.122
  162    HG3  ARG  23          2HG       ARG  23   6.221   1.553   0.906
  163    HD2  ARG  23          1HD       ARG  23   7.869   2.915   2.089
  164    HD3  ARG  23          2HD       ARG  23   8.439   1.260   1.879
  165    HE   ARG  23           HE       ARG  23   9.296   3.310  -0.034
  166   HH11  ARG  23          1HH1      ARG  23  10.061   1.119   2.585
  167   HH12  ARG  23          2HH1      ARG  23  11.774   1.247   2.363
  168   HH21  ARG  23          1HH2      ARG  23  11.561   3.478  -0.333
  169   HH22  ARG  23          2HH2      ARG  23  12.628   2.590   0.709
  170    H    VAL  24           H        VAL  24   6.275   1.033  -4.223
  171    HA   VAL  24           HA       VAL  24   7.119  -1.584  -5.055
  172    HB   VAL  24           HB       VAL  24   6.670   0.881  -6.744
  173   HG11  VAL  24          1HG1      VAL  24   6.368  -0.718  -8.578
  174   HG12  VAL  24          2HG1      VAL  24   6.776  -2.038  -7.484
  175   HG13  VAL  24          3HG1      VAL  24   7.984  -0.816  -7.880
  176   HG21  VAL  24          1HG2      VAL  24   4.663   0.321  -5.488
  177   HG22  VAL  24          2HG2      VAL  24   4.765  -1.348  -6.046
  178   HG23  VAL  24          3HG2      VAL  24   4.450  -0.051  -7.198
  179    H    ARG  25           H        ARG  25   8.484   1.672  -5.001
  180    HA   ARG  25           HA       ARG  25  10.816   1.078  -6.465
  181    HB2  ARG  25          1HB       ARG  25  10.102   3.383  -6.156
  182    HB3  ARG  25          2HB       ARG  25  10.316   3.243  -4.415
  183    HG2  ARG  25          1HG       ARG  25  12.678   3.065  -4.637
  184    HG3  ARG  25          2HG       ARG  25  12.559   2.920  -6.391
  185    HD2  ARG  25          1HD       ARG  25  11.706   5.354  -4.827
  186    HD3  ARG  25          2HD       ARG  25  13.286   5.167  -5.580
  187    HE   ARG  25           HE       ARG  25  10.754   5.176  -7.105
  188   HH11  ARG  25          1HH1      ARG  25  14.122   6.084  -6.726
  189   HH12  ARG  25          2HH1      ARG  25  14.193   6.913  -8.248
  190   HH21  ARG  25          1HH2      ARG  25  10.861   6.261  -9.106
  191   HH22  ARG  25          2HH2      ARG  25  12.347   7.011  -9.601
  192    H    CYS  26           H        CYS  26   9.969   0.592  -3.131
  193    HA   CYS  26           HA       CYS  26  12.553   0.311  -2.057
  194    HB2  CYS  26          1HB       CYS  26  10.530   0.502  -0.662
  195    HB3  CYS  26          2HB       CYS  26  10.006  -1.088  -1.207
  196    HG   CYS  26           HG       CYS  26  13.056  -0.954   0.225
  197    H    CYS  27           H        CYS  27  10.461  -1.937  -3.768
  198    HA   CYS  27           HA       CYS  27  12.420  -4.080  -3.421
  199    HB2  CYS  27          1HB       CYS  27   9.685  -4.159  -4.712
  200    HB3  CYS  27          2HB       CYS  27  10.698  -5.549  -4.333
  201    HG   CYS  27           HG       CYS  27  10.402  -5.461  -1.645
  202    H    ARG  28           H        ARG  28  11.929  -1.585  -5.487
  203    HA   ARG  28           HA       ARG  28  12.750  -3.071  -7.868
  204    HB2  ARG  28          1HB       ARG  28  10.843  -1.494  -8.097
  205    HB3  ARG  28          2HB       ARG  28  11.904  -0.177  -7.616
  206    HG2  ARG  28          1HG       ARG  28  13.296  -0.586  -9.594
  207    HG3  ARG  28          2HG       ARG  28  12.198  -1.877 -10.081
  208    HD2  ARG  28          1HD       ARG  28  10.366  -0.251 -10.228
  209    HD3  ARG  28          2HD       ARG  28  11.478   1.036  -9.764
  210    HE   ARG  28           HE       ARG  28  12.590  -0.201 -11.975
  211   HH11  ARG  28          1HH1      ARG  28   9.645   1.550 -11.246
  212   HH12  ARG  28          2HH1      ARG  28   9.473   2.173 -12.852
  213   HH21  ARG  28          1HH2      ARG  28  12.367   0.623 -14.082
  214   HH22  ARG  28          2HH2      ARG  28  11.018   1.645 -14.469
  215    H    ILE  29           H        ILE  29  13.679  -0.340  -5.840
  216    HA   ILE  29           HA       ILE  29  16.332  -0.354  -7.113
  217    HB   ILE  29           HB       ILE  29  14.880   1.907  -5.720
  218   HG12  ILE  29          1HG1      ILE  29  14.042   1.469  -7.977
  219   HG13  ILE  29          2HG1      ILE  29  14.931   2.989  -7.940
  220   HG21  ILE  29          1HG2      ILE  29  16.795   3.311  -6.346
  221   HG22  ILE  29          2HG2      ILE  29  17.633   1.884  -6.953
  222   HG23  ILE  29          3HG2      ILE  29  17.258   2.021  -5.237
  223   HD11  ILE  29          1HD1      ILE  29  15.946   0.355  -8.986
  224   HD12  ILE  29          2HD1      ILE  29  16.878   1.850  -8.907
  225   HD13  ILE  29          3HD1      ILE  29  15.452   1.750  -9.943
  226    H    ARG  30           H        ARG  30  17.892  -1.134  -5.910
  227    HA   ARG  30           HA       ARG  30  19.177  -1.785  -4.165
  228    HB2  ARG  30          1HB       ARG  30  17.849   0.563  -2.802
  229    HB3  ARG  30          2HB       ARG  30  19.246  -0.300  -2.176
  230    HG2  ARG  30          1HG       ARG  30  19.125   1.263  -4.745
  231    HG3  ARG  30          2HG       ARG  30  19.928   1.749  -3.252
  232    HD2  ARG  30          1HD       ARG  30  21.424  -0.188  -3.439
  233    HD3  ARG  30          2HD       ARG  30  20.629  -0.648  -4.943
  234    HE   ARG  30           HE       ARG  30  21.740   2.024  -4.914
  235   HH11  ARG  30          1HH1      ARG  30  22.265  -1.352  -5.683
  236   HH12  ARG  30          2HH1      ARG  30  23.567  -1.029  -6.786
  237   HH21  ARG  30          1HH2      ARG  30  23.457   2.449  -6.372
  238   HH22  ARG  30          2HH2      ARG  30  24.247   1.126  -7.169
  Start of MODEL   11
    1    H1   ASN   1          1H        ASN   1 -17.881  -8.614  -3.301
    2    H2   ASN   1          2H        ASN   1 -19.272  -8.716  -2.352
    3    H3   ASN   1          3H        ASN   1 -19.294  -7.821  -3.784
    4    HA   ASN   1           HA       ASN   1 -18.952 -10.750  -3.548
    5    HB2  ASN   1          1HB       ASN   1 -21.254  -9.992  -3.115
    6    HB3  ASN   1          2HB       ASN   1 -21.252  -9.121  -4.640
    7   HD21  ASN   1          1HD2      ASN   1 -19.814 -12.302  -4.194
    8   HD22  ASN   1          2HD2      ASN   1 -20.954 -13.145  -5.183
    9    H    GLY   2           H        GLY   2 -19.646  -8.136  -5.907
   10    HA2  GLY   2          1HA       GLY   2 -17.697  -9.396  -7.704
   11    HA3  GLY   2          2HA       GLY   2 -19.333  -9.137  -8.292
   12    H    ALA   3           H        ALA   3 -20.118  -6.920  -8.387
   13    HA   ALA   3           HA       ALA   3 -18.176  -5.143  -9.470
   14    HB1  ALA   3          1HB       ALA   3 -21.032  -4.547  -8.698
   15    HB2  ALA   3          2HB       ALA   3 -20.534  -5.252 -10.235
   16    HB3  ALA   3          3HB       ALA   3 -20.020  -3.621  -9.806
   17    H    ILE   4           H        ILE   4 -19.892  -5.390  -6.420
   18    HA   ILE   4           HA       ILE   4 -18.361  -3.122  -5.364
   19    HB   ILE   4           HB       ILE   4 -20.659  -4.623  -4.082
   20   HG12  ILE   4          1HG1      ILE   4 -21.379  -3.391  -6.092
   21   HG13  ILE   4          2HG1      ILE   4 -22.032  -2.665  -4.625
   22   HG21  ILE   4          1HG2      ILE   4 -20.710  -2.785  -2.482
   23   HG22  ILE   4          2HG2      ILE   4 -19.334  -2.030  -3.284
   24   HG23  ILE   4          3HG2      ILE   4 -19.137  -3.582  -2.469
   25   HD11  ILE   4          1HD1      ILE   4 -20.310  -0.931  -4.728
   26   HD12  ILE   4          2HD1      ILE   4 -21.296  -0.970  -6.191
   27   HD13  ILE   4          3HD1      ILE   4 -19.673  -1.659  -6.202
   28    H    CYS   5           H        CYS   5 -16.446  -3.745  -4.630
   29    HA   CYS   5           HA       CYS   5 -16.198  -6.331  -3.262
   30    HB2  CYS   5          1HB       CYS   5 -14.048  -4.515  -4.373
   31    HB3  CYS   5          2HB       CYS   5 -13.779  -6.085  -3.621
   32    HG   CYS   5           HG       CYS   5 -13.915  -5.643  -6.692
   33    H    TRP   6           H        TRP   6 -17.122  -3.535  -2.335
   34    HA   TRP   6           HA       TRP   6 -15.307  -3.219  -0.063
   35    HB2  TRP   6          1HB       TRP   6 -15.941  -1.177  -1.331
   36    HB3  TRP   6          2HB       TRP   6 -17.628  -1.471  -0.927
   37    HD1  TRP   6           HD1      TRP   6 -18.369  -1.043   1.626
   38    HE1  TRP   6           HE1      TRP   6 -17.312   0.368   3.497
   39    HE3  TRP   6           HE3      TRP   6 -13.725  -0.373  -0.399
   40    HZ2  TRP   6           HZ2      TRP   6 -14.828   1.612   4.035
   41    HZ3  TRP   6           HZ3      TRP   6 -12.072   0.944   0.855
   42    HH2  TRP   6           HH2      TRP   6 -12.614   1.914   3.021
   43    H    GLY   7           H        GLY   7 -15.826  -4.047   1.856
   44    HA2  GLY   7          1HA       GLY   7 -18.582  -4.212   2.718
   45    HA3  GLY   7          2HA       GLY   7 -17.791  -5.769   2.483
   46    HA   PRO   8           HA       PRO   8 -16.785  -4.757   6.863
   47    HB2  PRO   8          1HB       PRO   8 -16.467  -7.694   6.904
   48    HB3  PRO   8          2HB       PRO   8 -17.392  -6.650   7.988
   49    HG2  PRO   8          1HG       PRO   8 -18.614  -8.230   6.211
   50    HG3  PRO   8          2HG       PRO   8 -19.239  -6.614   6.593
   51    HD2  PRO   8          1HD       PRO   8 -17.654  -7.522   4.220
   52    HD3  PRO   8          2HD       PRO   8 -19.037  -6.414   4.289
   53    H    CYS   9           H        CYS   9 -15.255  -6.604   4.351
   54    HA   CYS   9           HA       CYS   9 -12.658  -5.692   5.321
   55    HB2  CYS   9          1HB       CYS   9 -12.922  -8.018   6.132
   56    HB3  CYS   9          2HB       CYS   9 -13.195  -8.550   4.478
   57    HG   CYS   9           HG       CYS   9 -10.560  -7.565   3.707
   58    HA   PRO  10           HA       PRO  10 -13.480  -4.722   0.889
   59    HB2  PRO  10          1HB       PRO  10 -11.826  -2.531   0.883
   60    HB3  PRO  10          2HB       PRO  10 -13.533  -2.482   1.336
   61    HG2  PRO  10          1HG       PRO  10 -11.109  -2.599   3.078
   62    HG3  PRO  10          2HG       PRO  10 -12.592  -1.648   3.283
   63    HD2  PRO  10          1HD       PRO  10 -12.151  -3.913   4.666
   64    HD3  PRO  10          2HD       PRO  10 -13.776  -3.449   4.129
   65    H    THR  11           H        THR  11 -12.419  -5.931  -0.531
   66    HA   THR  11           HA       THR  11  -9.649  -6.631  -0.028
   67    HB   THR  11           HB       THR  11 -10.030  -8.185  -1.997
   68    HG1  THR  11           HG1      THR  11 -11.837  -7.949  -3.059
   69   HG21  THR  11          1HG2      THR  11 -11.852  -8.435   0.400
   70   HG22  THR  11          2HG2      THR  11 -10.174  -8.971   0.307
   71   HG23  THR  11          3HG2      THR  11 -11.405  -9.751  -0.685
   72    H    ALA  12           H        ALA  12 -11.594  -5.035  -2.495
   73    HA   ALA  12           HA       ALA  12  -9.529  -4.762  -4.407
   74    HB1  ALA  12          1HB       ALA  12 -10.999  -3.143  -5.493
   75    HB2  ALA  12          2HB       ALA  12 -12.025  -3.103  -4.061
   76    HB3  ALA  12          3HB       ALA  12 -11.888  -4.585  -5.006
   77    H    PHE  13           H        PHE  13 -10.770  -2.601  -1.897
   78    HA   PHE  13           HA       PHE  13  -9.264  -0.345  -2.580
   79    HB2  PHE  13          1HB       PHE  13 -11.222  -0.366  -1.043
   80    HB3  PHE  13          2HB       PHE  13 -10.212  -1.127   0.178
   81    HD1  PHE  13           HD1      PHE  13 -10.495   1.906  -1.929
   82    HD2  PHE  13           HD2      PHE  13  -8.944   0.170   1.629
   83    HE1  PHE  13           HE1      PHE  13  -9.777   4.128  -1.162
   84    HE2  PHE  13           HE2      PHE  13  -8.221   2.385   2.401
   85    HZ   PHE  13           HZ       PHE  13  -8.637   4.372   1.004
   86    H    ARG  14           H        ARG  14  -8.487  -3.106  -0.522
   87    HA   ARG  14           HA       ARG  14  -5.979  -1.953   0.304
   88    HB2  ARG  14          1HB       ARG  14  -7.194  -3.477   1.809
   89    HB3  ARG  14          2HB       ARG  14  -7.004  -4.777   0.640
   90    HG2  ARG  14          1HG       ARG  14  -4.572  -4.632   0.882
   91    HG3  ARG  14          2HG       ARG  14  -4.775  -3.351   2.073
   92    HD2  ARG  14          1HD       ARG  14  -5.939  -4.888   3.560
   93    HD3  ARG  14          2HD       ARG  14  -5.828  -6.167   2.350
   94    HE   ARG  14           HE       ARG  14  -3.245  -5.390   2.752
   95   HH11  ARG  14          1HH1      ARG  14  -5.801  -6.573   4.830
   96   HH12  ARG  14          2HH1      ARG  14  -4.706  -7.271   5.976
   97   HH21  ARG  14          1HH2      ARG  14  -1.812  -6.340   4.229
   98   HH22  ARG  14          2HH2      ARG  14  -2.439  -7.143   5.635
   99    H    GLN  15           H        GLN  15  -7.126  -3.988  -2.253
  100    HA   GLN  15           HA       GLN  15  -4.573  -5.062  -2.950
  101    HB2  GLN  15          1HB       GLN  15  -6.804  -6.091  -3.542
  102    HB3  GLN  15          2HB       GLN  15  -6.981  -4.823  -4.747
  103    HG2  GLN  15          1HG       GLN  15  -4.969  -5.582  -5.869
  104    HG3  GLN  15          2HG       GLN  15  -4.749  -6.835  -4.651
  105   HE21  GLN  15          1HE2      GLN  15  -7.850  -5.897  -5.980
  106   HE22  GLN  15          2HE2      GLN  15  -8.142  -7.375  -6.824
  107    H    ILE  16           H        ILE  16  -6.468  -2.265  -3.888
  108    HA   ILE  16           HA       ILE  16  -4.832  -1.358  -5.994
  109    HB   ILE  16           HB       ILE  16  -6.518   0.237  -4.053
  110   HG12  ILE  16          1HG1      ILE  16  -7.069  -0.719  -6.877
  111   HG13  ILE  16          2HG1      ILE  16  -7.798  -1.369  -5.411
  112   HG21  ILE  16          1HG2      ILE  16  -4.812   1.654  -5.061
  113   HG22  ILE  16          2HG2      ILE  16  -6.407   2.051  -5.697
  114   HG23  ILE  16          3HG2      ILE  16  -5.284   1.102  -6.668
  115   HD11  ILE  16          1HD1      ILE  16  -9.315   0.124  -6.592
  116   HD12  ILE  16          2HD1      ILE  16  -8.145   1.436  -6.441
  117   HD13  ILE  16          3HD1      ILE  16  -8.900   0.756  -4.999
  118    H    GLY  17           H        GLY  17  -4.653  -0.985  -2.500
  119    HA2  GLY  17          1HA       GLY  17  -2.278   0.619  -2.545
  120    HA3  GLY  17          2HA       GLY  17  -2.922  -0.253  -1.157
  121    H    ASN  18           H        ASN  18  -0.619  -0.264  -3.690
  122    HA   ASN  18           HA       ASN  18  -0.145  -3.104  -3.578
  123    HB2  ASN  18          1HB       ASN  18   1.681  -2.638  -5.196
  124    HB3  ASN  18          2HB       ASN  18   0.119  -2.029  -5.721
  125   HD21  ASN  18          1HD2      ASN  18  -0.199   0.166  -5.905
  126   HD22  ASN  18          2HD2      ASN  18   1.096   1.305  -5.821
  127    H    CYS  19           H        CYS  19   2.388  -3.632  -3.581
  128    HA   CYS  19           HA       CYS  19   3.158  -3.441  -0.892
  129    HB2  CYS  19          1HB       CYS  19   5.358  -4.384  -1.810
  130    HB3  CYS  19          2HB       CYS  19   3.901  -5.333  -2.069
  131    HG   CYS  19           HG       CYS  19   5.075  -5.693  -4.430
  132    H    GLY  20           H        GLY  20   4.756  -2.048  -3.751
  133    HA2  GLY  20          1HA       GLY  20   5.232   0.441  -2.430
  134    HA3  GLY  20          2HA       GLY  20   6.685  -0.544  -2.527
  135    H    ARG  21           H        ARG  21   5.785   2.025  -3.836
  136    HA   ARG  21           HA       ARG  21   5.687   1.379  -6.644
  137    HB2  ARG  21          1HB       ARG  21   4.487   3.316  -5.813
  138    HB3  ARG  21          2HB       ARG  21   5.966   3.996  -5.160
  139    HG2  ARG  21          1HG       ARG  21   6.830   4.358  -7.372
  140    HG3  ARG  21          2HG       ARG  21   5.431   3.548  -8.086
  141    HD2  ARG  21          1HD       ARG  21   5.322   6.053  -8.116
  142    HD3  ARG  21          2HD       ARG  21   3.956   5.262  -7.328
  143    HE   ARG  21           HE       ARG  21   6.153   6.139  -5.620
  144   HH11  ARG  21          1HH1      ARG  21   2.951   6.786  -6.882
  145   HH12  ARG  21          2HH1      ARG  21   2.518   7.849  -5.583
  146   HH21  ARG  21          1HH2      ARG  21   5.596   7.535  -3.917
  147   HH22  ARG  21          2HH2      ARG  21   4.033   8.295  -3.902
  148    H    PHE  22           H        PHE  22   8.047   2.112  -4.265
  149    HA   PHE  22           HA       PHE  22  10.149   2.333  -6.286
  150    HB2  PHE  22          1HB       PHE  22  11.579   3.030  -4.346
  151    HB3  PHE  22          2HB       PHE  22  10.237   4.109  -4.678
  152    HD1  PHE  22           HD1      PHE  22   8.283   4.145  -3.197
  153    HD2  PHE  22           HD2      PHE  22  11.745   1.851  -2.280
  154    HE1  PHE  22           HE1      PHE  22   7.546   3.974  -0.859
  155    HE2  PHE  22           HE2      PHE  22  11.016   1.675   0.056
  156    HZ   PHE  22           HZ       PHE  22   8.912   2.736   0.773
  157    H    ARG  23           H        ARG  23  12.264   1.362  -4.587
  158    HA   ARG  23           HA       ARG  23  12.118  -1.381  -5.192
  159    HB2  ARG  23          1HB       ARG  23  13.953   0.056  -3.265
  160    HB3  ARG  23          2HB       ARG  23  14.177  -1.594  -3.824
  161    HG2  ARG  23          1HG       ARG  23  14.463  -0.813  -6.103
  162    HG3  ARG  23          2HG       ARG  23  14.173   0.850  -5.585
  163    HD2  ARG  23          1HD       ARG  23  16.550   0.468  -5.822
  164    HD3  ARG  23          2HD       ARG  23  16.150   0.708  -4.124
  165    HE   ARG  23           HE       ARG  23  16.454  -2.007  -5.214
  166   HH11  ARG  23          1HH1      ARG  23  17.393   0.484  -2.935
  167   HH12  ARG  23          2HH1      ARG  23  18.454  -0.557  -2.044
  168   HH21  ARG  23          1HH2      ARG  23  17.872  -3.372  -4.041
  169   HH22  ARG  23          2HH2      ARG  23  18.735  -2.738  -2.673
  170    H    VAL  24           H        VAL  24  10.910  -2.845  -4.263
  171    HA   VAL  24           HA       VAL  24   9.531  -2.398  -1.827
  172    HB   VAL  24           HB       VAL  24   9.824  -4.988  -3.356
  173   HG11  VAL  24          1HG1      VAL  24   8.993  -5.348  -1.104
  174   HG12  VAL  24          2HG1      VAL  24   7.697  -5.592  -2.276
  175   HG13  VAL  24          3HG1      VAL  24   7.767  -4.102  -1.335
  176   HG21  VAL  24          1HG2      VAL  24   7.736  -2.823  -3.577
  177   HG22  VAL  24          2HG2      VAL  24   7.686  -4.382  -4.399
  178   HG23  VAL  24          3HG2      VAL  24   8.956  -3.222  -4.785
  179    H    ARG  25           H        ARG  25  12.528  -3.990  -2.625
  180    HA   ARG  25           HA       ARG  25  12.899  -5.515  -0.305
  181    HB2  ARG  25          1HB       ARG  25  14.400  -5.722  -2.222
  182    HB3  ARG  25          2HB       ARG  25  14.941  -4.063  -2.008
  183    HG2  ARG  25          1HG       ARG  25  15.921  -4.662   0.151
  184    HG3  ARG  25          2HG       ARG  25  15.397  -6.332  -0.079
  185    HD2  ARG  25          1HD       ARG  25  16.803  -6.539  -2.036
  186    HD3  ARG  25          2HD       ARG  25  17.251  -4.837  -1.929
  187    HE   ARG  25           HE       ARG  25  17.892  -6.412   0.414
  188   HH11  ARG  25          1HH1      ARG  25  19.004  -5.280  -2.703
  189   HH12  ARG  25          2HH1      ARG  25  20.683  -5.395  -2.290
  190   HH21  ARG  25          1HH2      ARG  25  20.111  -6.555   0.964
  191   HH22  ARG  25          2HH2      ARG  25  21.310  -6.124  -0.212
  192    H    CYS  26           H        CYS  26  13.212  -2.095  -0.919
  193    HA   CYS  26           HA       CYS  26  14.669  -1.451   1.442
  194    HB2  CYS  26          1HB       CYS  26  14.619  -0.001  -0.575
  195    HB3  CYS  26          2HB       CYS  26  12.920   0.342  -0.263
  196    HG   CYS  26           HG       CYS  26  14.849   1.007   2.366
  197    H    CYS  27           H        CYS  27  11.364  -2.113   0.770
  198    HA   CYS  27           HA       CYS  27  10.379  -0.866   3.195
  199    HB2  CYS  27          1HB       CYS  27   8.968  -2.755   1.298
  200    HB3  CYS  27          2HB       CYS  27   8.210  -1.767   2.541
  201    HG   CYS  27           HG       CYS  27   9.413   0.590   1.117
  202    H    ARG  28           H        ARG  28  11.898  -3.742   2.349
  203    HA   ARG  28           HA       ARG  28  10.594  -5.269   4.477
  204    HB2  ARG  28          1HB       ARG  28  12.361  -6.110   2.183
  205    HB3  ARG  28          2HB       ARG  28  11.856  -7.209   3.459
  206    HG2  ARG  28          1HG       ARG  28   9.549  -6.952   2.842
  207    HG3  ARG  28          2HG       ARG  28   9.963  -5.700   1.668
  208    HD2  ARG  28          1HD       ARG  28   9.562  -7.914   0.631
  209    HD3  ARG  28          2HD       ARG  28  11.182  -7.287   0.330
  210    HE   ARG  28           HE       ARG  28  10.913  -9.084   2.595
  211   HH11  ARG  28          1HH1      ARG  28  11.697  -8.729  -0.791
  212   HH12  ARG  28          2HH1      ARG  28  12.656 -10.175  -0.857
  213   HH21  ARG  28          1HH2      ARG  28  12.164 -10.998   2.512
  214   HH22  ARG  28          2HH2      ARG  28  12.904 -11.473   1.016
  215    H    ILE  29           H        ILE  29  13.853  -4.414   3.319
  216    HA   ILE  29           HA       ILE  29  14.949  -5.411   5.840
  217    HB   ILE  29           HB       ILE  29  17.137  -5.214   4.858
  218   HG12  ILE  29          1HG1      ILE  29  15.832  -4.011   2.403
  219   HG13  ILE  29          2HG1      ILE  29  16.674  -3.072   3.633
  220   HG21  ILE  29          1HG2      ILE  29  16.897  -6.714   2.912
  221   HG22  ILE  29          2HG2      ILE  29  15.165  -6.391   2.900
  222   HG23  ILE  29          3HG2      ILE  29  15.900  -7.210   4.276
  223   HD11  ILE  29          1HD1      ILE  29  18.733  -4.279   3.149
  224   HD12  ILE  29          2HD1      ILE  29  18.095  -3.480   1.714
  225   HD13  ILE  29          3HD1      ILE  29  17.895  -5.219   1.915
  226    H    ARG  30           H        ARG  30  16.495  -4.111   7.023
  227    HA   ARG  30           HA       ARG  30  16.413  -1.244   6.586
  228    HB2  ARG  30          1HB       ARG  30  15.828  -0.873   9.027
  229    HB3  ARG  30          2HB       ARG  30  14.514  -1.415   7.995
  230    HG2  ARG  30          1HG       ARG  30  14.759  -3.677   8.832
  231    HG3  ARG  30          2HG       ARG  30  16.120  -3.172   9.836
  232    HD2  ARG  30          1HD       ARG  30  14.639  -1.639  11.050
  233    HD3  ARG  30          2HD       ARG  30  13.284  -2.165  10.054
  234    HE   ARG  30           HE       ARG  30  14.642  -4.287  11.469
  235   HH11  ARG  30          1HH1      ARG  30  12.051  -1.938  11.547
  236   HH12  ARG  30          2HH1      ARG  30  11.154  -2.785  12.765
  237   HH21  ARG  30          1HH2      ARG  30  13.459  -5.405  13.074
  238   HH22  ARG  30          2HH2      ARG  30  11.944  -4.759  13.622
  Start of MODEL   12
    1    H1   ASN   1          1H        ASN   1 -24.175  -7.385  10.208
    2    H2   ASN   1          2H        ASN   1 -22.811  -6.385  10.227
    3    H3   ASN   1          3H        ASN   1 -22.627  -8.063  10.164
    4    HA   ASN   1           HA       ASN   1 -22.204  -7.113   8.016
    5    HB2  ASN   1          1HB       ASN   1 -23.304  -9.345   8.204
    6    HB3  ASN   1          2HB       ASN   1 -24.866  -8.552   8.059
    7   HD21  ASN   1          1HD2      ASN   1 -21.953  -9.468   6.408
    8   HD22  ASN   1          2HD2      ASN   1 -22.533  -9.186   4.803
    9    H    GLY   2           H        GLY   2 -24.753  -5.686   9.710
   10    HA2  GLY   2          1HA       GLY   2 -26.146  -4.423   7.590
   11    HA3  GLY   2          2HA       GLY   2 -26.133  -3.908   9.270
   12    H    ALA   3           H        ALA   3 -23.348  -3.476   9.522
   13    HA   ALA   3           HA       ALA   3 -23.200  -0.831   8.491
   14    HB1  ALA   3          1HB       ALA   3 -21.021  -2.488   9.758
   15    HB2  ALA   3          2HB       ALA   3 -22.178  -1.481  10.628
   16    HB3  ALA   3          3HB       ALA   3 -21.008  -0.738   9.538
   17    H    ILE   4           H        ILE   4 -21.450  -3.831   7.722
   18    HA   ILE   4           HA       ILE   4 -20.833  -2.678   5.093
   19    HB   ILE   4           HB       ILE   4 -18.630  -3.888   5.133
   20   HG12  ILE   4          1HG1      ILE   4 -19.199  -4.055   8.106
   21   HG13  ILE   4          2HG1      ILE   4 -19.099  -5.423   6.996
   22   HG21  ILE   4          1HG2      ILE   4 -17.478  -2.147   6.429
   23   HG22  ILE   4          2HG2      ILE   4 -19.018  -1.674   7.144
   24   HG23  ILE   4          3HG2      ILE   4 -18.755  -1.480   5.412
   25   HD11  ILE   4          1HD1      ILE   4 -16.844  -3.554   7.703
   26   HD12  ILE   4          2HD1      ILE   4 -16.741  -4.934   6.608
   27   HD13  ILE   4          3HD1      ILE   4 -17.074  -5.189   8.320
   28    H    CYS   5           H        CYS   5 -21.506  -3.901   3.489
   29    HA   CYS   5           HA       CYS   5 -21.978  -6.764   3.981
   30    HB2  CYS   5          1HB       CYS   5 -23.204  -4.952   1.892
   31    HB3  CYS   5          2HB       CYS   5 -23.572  -6.659   2.110
   32    HG   CYS   5           HG       CYS   5 -24.090  -5.480   5.015
   33    H    TRP   6           H        TRP   6 -19.537  -5.141   3.037
   34    HA   TRP   6           HA       TRP   6 -19.082  -6.454   0.458
   35    HB2  TRP   6          1HB       TRP   6 -17.674  -4.145   1.808
   36    HB3  TRP   6          2HB       TRP   6 -17.097  -4.895   0.329
   37    HD1  TRP   6           HD1      TRP   6 -19.789  -2.543   1.638
   38    HE1  TRP   6           HE1      TRP   6 -20.997  -1.459  -0.360
   39    HE3  TRP   6           HE3      TRP   6 -17.763  -5.325  -2.139
   40    HZ2  TRP   6           HZ2      TRP   6 -21.076  -1.749  -3.166
   41    HZ3  TRP   6           HZ3      TRP   6 -18.460  -4.857  -4.447
   42    HH2  TRP   6           HH2      TRP   6 -20.081  -3.108  -4.949
   43    H    GLY   7           H        GLY   7 -19.042  -7.993   2.828
   44    HA2  GLY   7          1HA       GLY   7 -17.717  -9.809   3.468
   45    HA3  GLY   7          2HA       GLY   7 -16.348  -9.069   2.647
   46    HA   PRO   8           HA       PRO   8 -15.908  -8.429   7.303
   47    HB2  PRO   8          1HB       PRO   8 -13.315  -9.751   6.828
   48    HB3  PRO   8          2HB       PRO   8 -14.514 -10.052   8.091
   49    HG2  PRO   8          1HG       PRO   8 -14.126 -11.789   6.088
   50    HG3  PRO   8          2HG       PRO   8 -15.736 -11.499   6.774
   51    HD2  PRO   8          1HD       PRO   8 -14.542 -10.448   4.233
   52    HD3  PRO   8          2HD       PRO   8 -16.182 -11.053   4.538
   53    H    CYS   9           H        CYS   9 -13.778  -8.195   4.529
   54    HA   CYS   9           HA       CYS   9 -13.110  -5.476   5.184
   55    HB2  CYS   9          1HB       CYS   9 -10.612  -5.960   5.022
   56    HB3  CYS   9          2HB       CYS   9 -11.405  -6.448   6.516
   57    HG   CYS   9           HG       CYS   9 -11.085  -8.756   4.053
   58    HA   PRO  10           HA       PRO  10 -13.744  -5.714   0.714
   59    HB2  PRO  10          1HB       PRO  10 -12.811  -2.908   1.129
   60    HB3  PRO  10          2HB       PRO  10 -14.159  -3.508   0.156
   61    HG2  PRO  10          1HG       PRO  10 -14.624  -2.384   2.509
   62    HG3  PRO  10          2HG       PRO  10 -15.524  -3.834   2.016
   63    HD2  PRO  10          1HD       PRO  10 -13.275  -3.568   3.963
   64    HD3  PRO  10          2HD       PRO  10 -14.689  -4.637   4.011
   65    H    THR  11           H        THR  11 -12.261  -6.558  -0.578
   66    HA   THR  11           HA       THR  11  -9.454  -6.179   0.057
   67    HB   THR  11           HB       THR  11 -10.654  -8.047  -1.991
   68    HG1  THR  11           HG1      THR  11 -11.543  -8.770  -0.141
   69   HG21  THR  11          1HG2      THR  11  -8.027  -8.097  -0.494
   70   HG22  THR  11          2HG2      THR  11  -8.239  -7.704  -2.199
   71   HG23  THR  11          3HG2      THR  11  -8.595  -9.331  -1.619
   72    H    ALA  12           H        ALA  12 -11.738  -5.115  -2.277
   73    HA   ALA  12           HA       ALA  12 -10.169  -4.828  -4.558
   74    HB1  ALA  12          1HB       ALA  12 -12.393  -3.010  -3.639
   75    HB2  ALA  12          2HB       ALA  12 -12.599  -4.519  -4.528
   76    HB3  ALA  12          3HB       ALA  12 -11.777  -3.155  -5.284
   77    H    PHE  13           H        PHE  13 -10.714  -2.446  -1.956
   78    HA   PHE  13           HA       PHE  13  -8.920  -0.546  -3.086
   79    HB2  PHE  13          1HB       PHE  13 -10.727   0.155  -1.601
   80    HB3  PHE  13          2HB       PHE  13 -10.013  -0.751  -0.274
   81    HD1  PHE  13           HD1      PHE  13  -8.537   0.280   1.163
   82    HD2  PHE  13           HD2      PHE  13  -9.275   2.004  -2.652
   83    HE1  PHE  13           HE1      PHE  13  -7.199   2.239   1.798
   84    HE2  PHE  13           HE2      PHE  13  -7.938   3.970  -2.026
   85    HZ   PHE  13           HZ       PHE  13  -6.896   4.090   0.204
   86    H    ARG  14           H        ARG  14  -8.593  -3.142  -0.756
   87    HA   ARG  14           HA       ARG  14  -6.035  -2.372   0.217
   88    HB2  ARG  14          1HB       ARG  14  -7.424  -5.058   0.224
   89    HB3  ARG  14          2HB       ARG  14  -5.905  -4.735   1.045
   90    HG2  ARG  14          1HG       ARG  14  -7.057  -3.003   2.396
   91    HG3  ARG  14          2HG       ARG  14  -8.574  -3.467   1.624
   92    HD2  ARG  14          1HD       ARG  14  -6.808  -5.280   3.274
   93    HD3  ARG  14          2HD       ARG  14  -8.307  -4.532   3.822
   94    HE   ARG  14           HE       ARG  14  -9.251  -5.859   1.777
   95   HH11  ARG  14          1HH1      ARG  14  -6.865  -6.905   4.111
   96   HH12  ARG  14          2HH1      ARG  14  -7.231  -8.590   3.924
   97   HH21  ARG  14          1HH2      ARG  14  -9.749  -8.103   1.540
   98   HH22  ARG  14          2HH2      ARG  14  -8.869  -9.265   2.484
   99    H    GLN  15           H        GLN  15  -7.148  -4.094  -2.562
  100    HA   GLN  15           HA       GLN  15  -4.647  -5.229  -3.315
  101    HB2  GLN  15          1HB       GLN  15  -6.792  -6.084  -4.161
  102    HB3  GLN  15          2HB       GLN  15  -7.080  -4.561  -4.984
  103    HG2  GLN  15          1HG       GLN  15  -5.114  -4.958  -6.384
  104    HG3  GLN  15          2HG       GLN  15  -4.865  -6.504  -5.573
  105   HE21  GLN  15          1HE2      GLN  15  -6.864  -4.711  -7.774
  106   HE22  GLN  15          2HE2      GLN  15  -7.720  -6.066  -8.419
  107    H    ILE  16           H        ILE  16  -6.233  -2.170  -3.772
  108    HA   ILE  16           HA       ILE  16  -4.392  -1.156  -5.717
  109    HB   ILE  16           HB       ILE  16  -6.381   0.245  -3.919
  110   HG12  ILE  16          1HG1      ILE  16  -6.438  -0.446  -6.867
  111   HG13  ILE  16          2HG1      ILE  16  -7.420  -1.185  -5.603
  112   HG21  ILE  16          1HG2      ILE  16  -4.565   1.769  -4.466
  113   HG22  ILE  16          2HG2      ILE  16  -6.042   2.231  -5.312
  114   HG23  ILE  16          3HG2      ILE  16  -4.751   1.399  -6.180
  115   HD11  ILE  16          1HD1      ILE  16  -8.544   0.944  -5.226
  116   HD12  ILE  16          2HD1      ILE  16  -8.698   0.421  -6.905
  117   HD13  ILE  16          3HD1      ILE  16  -7.552   1.693  -6.479
  118    H    GLY  17           H        GLY  17  -4.810  -0.898  -2.221
  119    HA2  GLY  17          1HA       GLY  17  -3.183  -0.534  -0.602
  120    HA3  GLY  17          2HA       GLY  17  -1.999  -0.302  -1.881
  121    H    ASN  18           H        ASN  18  -2.730   1.692  -3.304
  122    HA   ASN  18           HA       ASN  18  -2.927   3.920  -3.541
  123    HB2  ASN  18          1HB       ASN  18  -5.192   3.508  -2.592
  124    HB3  ASN  18          2HB       ASN  18  -4.546   3.849  -0.994
  125   HD21  ASN  18          1HD2      ASN  18  -3.589   5.552  -3.915
  126   HD22  ASN  18          2HD2      ASN  18  -4.284   7.068  -3.469
  127    H    CYS  19           H        CYS  19  -3.052   4.144  -0.016
  128    HA   CYS  19           HA       CYS  19  -1.001   6.102   0.007
  129    HB2  CYS  19          1HB       CYS  19  -1.178   5.870   2.499
  130    HB3  CYS  19          2HB       CYS  19  -2.703   6.204   1.689
  131    HG   CYS  19           HG       CYS  19  -1.832   3.632   3.587
  132    H    GLY  20           H        GLY  20  -1.078   2.654   0.519
  133    HA2  GLY  20          1HA       GLY  20   1.774   2.681   1.206
  134    HA3  GLY  20          2HA       GLY  20   0.689   1.314   1.401
  135    H    ARG  21           H        ARG  21   0.496   3.069  -1.558
  136    HA   ARG  21           HA       ARG  21   1.625   0.761  -2.939
  137    HB2  ARG  21          1HB       ARG  21  -0.555   1.517  -3.711
  138    HB3  ARG  21          2HB       ARG  21   0.081   3.130  -4.008
  139    HG2  ARG  21          1HG       ARG  21   1.343   2.422  -5.844
  140    HG3  ARG  21          2HG       ARG  21   1.205   0.722  -5.395
  141    HD2  ARG  21          1HD       ARG  21  -0.217   1.222  -7.304
  142    HD3  ARG  21          2HD       ARG  21  -1.190   0.786  -5.901
  143    HE   ARG  21           HE       ARG  21  -0.889   3.593  -6.033
  144   HH11  ARG  21          1HH1      ARG  21  -2.541   0.942  -7.617
  145   HH12  ARG  21          2HH1      ARG  21  -3.870   1.923  -8.153
  146   HH21  ARG  21          1HH2      ARG  21  -2.640   4.887  -6.739
  147   HH22  ARG  21          2HH2      ARG  21  -3.922   4.161  -7.660
  148    H    PHE  22           H        PHE  22   2.289   4.102  -2.296
  149    HA   PHE  22           HA       PHE  22   4.624   4.004  -4.060
  150    HB2  PHE  22          1HB       PHE  22   4.784   6.450  -3.621
  151    HB3  PHE  22          2HB       PHE  22   3.280   5.974  -4.392
  152    HD1  PHE  22           HD1      PHE  22   4.830   7.227  -1.328
  153    HD2  PHE  22           HD2      PHE  22   1.178   6.170  -3.238
  154    HE1  PHE  22           HE1      PHE  22   3.574   8.397   0.430
  155    HE2  PHE  22           HE2      PHE  22  -0.082   7.333  -1.483
  156    HZ   PHE  22           HZ       PHE  22   1.113   8.454   0.355
  157    H    ARG  23           H        ARG  23   6.701   4.455  -3.277
  158    HA   ARG  23           HA       ARG  23   7.200   3.462  -0.653
  159    HB2  ARG  23          1HB       ARG  23   9.559   3.850  -1.150
  160    HB3  ARG  23          2HB       ARG  23   8.766   3.041  -2.491
  161    HG2  ARG  23          1HG       ARG  23   8.609   5.203  -3.663
  162    HG3  ARG  23          2HG       ARG  23   9.484   5.959  -2.332
  163    HD2  ARG  23          1HD       ARG  23  11.375   4.416  -2.753
  164    HD3  ARG  23          2HD       ARG  23  10.503   3.768  -4.143
  165    HE   ARG  23           HE       ARG  23  10.845   6.624  -4.237
  166   HH11  ARG  23          1HH1      ARG  23  12.382   3.551  -4.941
  167   HH12  ARG  23          2HH1      ARG  23  13.407   4.206  -6.175
  168   HH21  ARG  23          1HH2      ARG  23  12.194   7.480  -5.855
  169   HH22  ARG  23          2HH2      ARG  23  13.282   6.437  -6.715
  170    H    VAL  24           H        VAL  24   8.214   4.549   1.077
  171    HA   VAL  24           HA       VAL  24   6.823   6.990   1.598
  172    HB   VAL  24           HB       VAL  24   8.841   5.638   3.386
  173   HG11  VAL  24          1HG1      VAL  24   7.519   6.622   5.198
  174   HG12  VAL  24          2HG1      VAL  24   6.473   7.397   4.009
  175   HG13  VAL  24          3HG1      VAL  24   8.170   7.859   4.123
  176   HG21  VAL  24          1HG2      VAL  24   6.939   4.415   4.359
  177   HG22  VAL  24          2HG2      VAL  24   7.227   3.977   2.676
  178   HG23  VAL  24          3HG2      VAL  24   5.897   5.057   3.091
  179    H    ARG  25           H        ARG  25   9.667   6.505   0.032
  180    HA   ARG  25           HA       ARG  25  11.428   8.382   1.117
  181    HB2  ARG  25          1HB       ARG  25  11.049   7.406  -1.705
  182    HB3  ARG  25          2HB       ARG  25  12.290   8.575  -1.286
  183    HG2  ARG  25          1HG       ARG  25  13.252   6.953   0.297
  184    HG3  ARG  25          2HG       ARG  25  12.031   5.780  -0.198
  185    HD2  ARG  25          1HD       ARG  25  14.163   5.410  -1.339
  186    HD3  ARG  25          2HD       ARG  25  12.875   5.815  -2.470
  187    HE   ARG  25           HE       ARG  25  14.071   8.208  -1.934
  188   HH11  ARG  25          1HH1      ARG  25  15.182   5.105  -3.116
  189   HH12  ARG  25          2HH1      ARG  25  16.474   5.784  -4.051
  190   HH21  ARG  25          1HH2      ARG  25  15.767   9.104  -3.174
  191   HH22  ARG  25          2HH2      ARG  25  16.813   8.055  -4.076
  192    H    CYS  26           H        CYS  26   8.705   8.829  -1.088
  193    HA   CYS  26           HA       CYS  26   9.325  11.588  -1.580
  194    HB2  CYS  26          1HB       CYS  26   7.072  11.637  -2.650
  195    HB3  CYS  26          2HB       CYS  26   8.115  10.360  -3.272
  196    HG   CYS  26           HG       CYS  26   5.131  10.140  -1.876
  197    H    CYS  27           H        CYS  27   8.089   9.979   1.055
  198    HA   CYS  27           HA       CYS  27   6.237  12.097   1.823
  199    HB2  CYS  27          1HB       CYS  27   5.680   9.632   2.068
  200    HB3  CYS  27          2HB       CYS  27   6.870   9.580   3.363
  201    HG   CYS  27           HG       CYS  27   4.723  12.051   3.838
  202    H    ARG  28           H        ARG  28   9.482  11.591   2.043
  203    HA   ARG  28           HA       ARG  28   9.973  12.383   4.730
  204    HB2  ARG  28          1HB       ARG  28  12.268  12.794   4.034
  205    HB3  ARG  28          2HB       ARG  28  11.701  11.287   3.330
  206    HG2  ARG  28          1HG       ARG  28  11.337  12.416   1.197
  207    HG3  ARG  28          2HG       ARG  28  11.897  13.933   1.904
  208    HD2  ARG  28          1HD       ARG  28  13.516  11.402   1.623
  209    HD3  ARG  28          2HD       ARG  28  13.672  12.843   0.618
  210    HE   ARG  28           HE       ARG  28  14.042  13.761   3.151
  211   HH11  ARG  28          1HH1      ARG  28  15.539  11.237   1.243
  212   HH12  ARG  28          2HH1      ARG  28  17.080  11.390   2.024
  213   HH21  ARG  28          1HH2      ARG  28  16.064  13.953   4.179
  214   HH22  ARG  28          2HH2      ARG  28  17.376  12.930   3.691
  215    H    ILE  29           H        ILE  29   9.327  14.064   1.766
  216    HA   ILE  29           HA       ILE  29   9.899  16.685   2.831
  217    HB   ILE  29           HB       ILE  29   8.337  15.959   0.337
  218   HG12  ILE  29          1HG1      ILE  29  11.280  16.634   0.593
  219   HG13  ILE  29          2HG1      ILE  29  10.640  15.011   0.345
  220   HG21  ILE  29          1HG2      ILE  29   9.716  18.526   1.135
  221   HG22  ILE  29          2HG2      ILE  29   7.975  18.252   1.093
  222   HG23  ILE  29          3HG2      ILE  29   8.907  18.225  -0.403
  223   HD11  ILE  29          1HD1      ILE  29   9.707  15.706  -1.798
  224   HD12  ILE  29          2HD1      ILE  29  11.449  15.965  -1.733
  225   HD13  ILE  29          3HD1      ILE  29  10.349  17.331  -1.550
  226    H    ARG  30           H        ARG  30   6.985  14.915   1.825
  227    HA   ARG  30           HA       ARG  30   5.474  15.796   4.054
  228    HB2  ARG  30          1HB       ARG  30   3.749  17.055   2.718
  229    HB3  ARG  30          2HB       ARG  30   5.278  17.889   2.941
  230    HG2  ARG  30          1HG       ARG  30   5.937  17.114   0.661
  231    HG3  ARG  30          2HG       ARG  30   4.292  16.504   0.467
  232    HD2  ARG  30          1HD       ARG  30   4.517  18.710  -0.531
  233    HD3  ARG  30          2HD       ARG  30   3.410  18.753   0.839
  234    HE   ARG  30           HE       ARG  30   5.543  19.545   2.087
  235   HH11  ARG  30          1HH1      ARG  30   4.661  20.345  -1.200
  236   HH12  ARG  30          2HH1      ARG  30   5.450  21.888  -1.174
  237   HH21  ARG  30          1HH2      ARG  30   6.613  21.560   2.120
  238   HH22  ARG  30          2HH2      ARG  30   6.574  22.579   0.717
  Start of MODEL   13
    1    H1   ASN   1          1H        ASN   1  -8.615 -10.621  12.873
    2    H2   ASN   1          2H        ASN   1  -8.335 -11.961  11.886
    3    H3   ASN   1          3H        ASN   1  -9.725 -11.895  12.844
    4    HA   ASN   1           HA       ASN   1 -10.265 -11.435  10.560
    5    HB2  ASN   1          1HB       ASN   1 -10.415  -8.999  12.354
    6    HB3  ASN   1          2HB       ASN   1 -11.387  -9.252  10.913
    7   HD21  ASN   1          1HD2      ASN   1 -13.070 -10.725  10.962
    8   HD22  ASN   1          2HD2      ASN   1 -13.668 -11.398  12.440
    9    H    GLY   2           H        GLY   2  -9.970 -10.165   8.675
   10    HA2  GLY   2          1HA       GLY   2  -8.931  -8.361   7.491
   11    HA3  GLY   2          2HA       GLY   2  -7.665  -8.334   8.710
   12    H    ALA   3           H        ALA   3  -7.889 -11.464   8.332
   13    HA   ALA   3           HA       ALA   3  -5.686 -11.519   6.430
   14    HB1  ALA   3          1HB       ALA   3  -5.323 -13.795   7.195
   15    HB2  ALA   3          2HB       ALA   3  -6.826 -13.745   8.116
   16    HB3  ALA   3          3HB       ALA   3  -5.478 -12.706   8.573
   17    H    ILE   4           H        ILE   4  -9.005 -11.922   6.379
   18    HA   ILE   4           HA       ILE   4  -9.019 -13.881   4.240
   19    HB   ILE   4           HB       ILE   4 -10.757 -14.016   5.962
   20   HG12  ILE   4          1HG1      ILE   4 -12.767 -14.028   4.431
   21   HG13  ILE   4          2HG1      ILE   4 -11.739 -13.309   3.192
   22   HG21  ILE   4          1HG2      ILE   4 -11.685 -11.331   4.959
   23   HG22  ILE   4          2HG2      ILE   4 -10.960 -11.664   6.530
   24   HG23  ILE   4          3HG2      ILE   4 -12.535 -12.346   6.124
   25   HD11  ILE   4          1HD1      ILE   4 -11.348 -15.998   4.489
   26   HD12  ILE   4          2HD1      ILE   4 -10.281 -15.275   3.287
   27   HD13  ILE   4          3HD1      ILE   4 -11.938 -15.691   2.856
   28    H    CYS   5           H        CYS   5  -8.731 -13.309   2.212
   29    HA   CYS   5           HA       CYS   5  -8.929 -10.539   1.397
   30    HB2  CYS   5          1HB       CYS   5  -8.242 -12.984  -0.249
   31    HB3  CYS   5          2HB       CYS   5  -7.986 -11.307  -0.715
   32    HG   CYS   5           HG       CYS   5  -6.476 -11.611   2.107
   33    H    TRP   6           H        TRP   6 -10.936 -13.254   1.448
   34    HA   TRP   6           HA       TRP   6 -12.735 -12.063  -0.556
   35    HB2  TRP   6          1HB       TRP   6 -12.584 -14.956   0.326
   36    HB3  TRP   6          2HB       TRP   6 -13.653 -14.307  -0.907
   37    HD1  TRP   6           HD1      TRP   6 -10.142 -15.576  -0.382
   38    HE1  TRP   6           HE1      TRP   6  -8.889 -15.590  -2.629
   39    HE3  TRP   6           HE3      TRP   6 -13.517 -12.977  -3.207
   40    HZ2  TRP   6           HZ2      TRP   6  -9.284 -14.630  -5.255
   41    HZ3  TRP   6           HZ3      TRP   6 -13.002 -12.568  -5.575
   42    HH2  TRP   6           HH2      TRP   6 -10.931 -13.378  -6.573
   43    H    GLY   7           H        GLY   7 -12.631 -11.172   2.121
   44    HA2  GLY   7          1HA       GLY   7 -15.163 -12.249   3.195
   45    HA3  GLY   7          2HA       GLY   7 -13.836 -11.725   4.222
   46    HA   PRO   8           HA       PRO   8 -16.904  -8.235   3.888
   47    HB2  PRO   8          1HB       PRO   8 -15.971  -7.821   6.663
   48    HB3  PRO   8          2HB       PRO   8 -17.619  -7.892   6.031
   49    HG2  PRO   8          1HG       PRO   8 -16.609  -9.896   7.485
   50    HG3  PRO   8          2HG       PRO   8 -17.696 -10.204   6.119
   51    HD2  PRO   8          1HD       PRO   8 -14.717 -10.461   6.265
   52    HD3  PRO   8          2HD       PRO   8 -15.901 -11.519   5.472
   53    H    CYS   9           H        CYS   9 -13.644  -8.464   5.133
   54    HA   CYS   9           HA       CYS   9 -12.920  -5.764   5.141
   55    HB2  CYS   9          1HB       CYS   9 -11.154  -8.115   4.425
   56    HB3  CYS   9          2HB       CYS   9 -10.631  -6.562   5.069
   57    HG   CYS   9           HG       CYS   9 -12.613  -7.425   7.328
   58    HA   PRO  10           HA       PRO  10 -13.329  -4.590   0.906
   59    HB2  PRO  10          1HB       PRO  10 -11.186  -2.785   0.885
   60    HB3  PRO  10          2HB       PRO  10 -12.862  -2.412   1.291
   61    HG2  PRO  10          1HG       PRO  10 -10.554  -2.972   3.083
   62    HG3  PRO  10          2HG       PRO  10 -11.908  -1.850   3.308
   63    HD2  PRO  10          1HD       PRO  10 -11.800  -4.174   4.621
   64    HD3  PRO  10          2HD       PRO  10 -13.344  -3.536   4.021
   65    H    THR  11           H        THR  11 -12.723  -5.839  -0.708
   66    HA   THR  11           HA       THR  11 -10.150  -7.162  -0.617
   67    HB   THR  11           HB       THR  11 -12.259  -8.421  -1.071
   68    HG1  THR  11           HG1      THR  11 -10.781  -9.692  -1.875
   69   HG21  THR  11          1HG2      THR  11 -12.166  -6.972  -3.719
   70   HG22  THR  11          2HG2      THR  11 -13.404  -6.791  -2.478
   71   HG23  THR  11          3HG2      THR  11 -13.226  -8.325  -3.329
   72    H    ALA  12           H        ALA  12 -11.566  -4.501  -2.235
   73    HA   ALA  12           HA       ALA  12  -9.696  -4.676  -4.476
   74    HB1  ALA  12          1HB       ALA  12 -11.948  -2.721  -4.032
   75    HB2  ALA  12          2HB       ALA  12 -12.057  -4.206  -4.974
   76    HB3  ALA  12          3HB       ALA  12 -10.993  -2.904  -5.502
   77    H    PHE  13           H        PHE  13 -10.640  -2.426  -1.892
   78    HA   PHE  13           HA       PHE  13  -8.801  -0.411  -2.586
   79    HB2  PHE  13          1HB       PHE  13  -9.954  -0.962   0.150
   80    HB3  PHE  13          2HB       PHE  13  -9.265   0.554  -0.410
   81    HD1  PHE  13           HD1      PHE  13 -12.172  -0.541   0.583
   82    HD2  PHE  13           HD2      PHE  13 -10.464   0.869  -3.047
   83    HE1  PHE  13           HE1      PHE  13 -14.397   0.152  -0.188
   84    HE2  PHE  13           HE2      PHE  13 -12.687   1.568  -3.824
   85    HZ   PHE  13           HZ       PHE  13 -14.658   1.209  -2.395
   86    H    ARG  14           H        ARG  14  -8.538  -3.186  -0.424
   87    HA   ARG  14           HA       ARG  14  -5.934  -2.418   0.529
   88    HB2  ARG  14          1HB       ARG  14  -7.420  -5.040   0.764
   89    HB3  ARG  14          2HB       ARG  14  -5.900  -4.677   1.564
   90    HG2  ARG  14          1HG       ARG  14  -7.026  -2.833   2.775
   91    HG3  ARG  14          2HG       ARG  14  -8.547  -3.315   2.023
   92    HD2  ARG  14          1HD       ARG  14  -6.845  -4.961   3.895
   93    HD3  ARG  14          2HD       ARG  14  -8.431  -4.271   4.236
   94    HE   ARG  14           HE       ARG  14  -9.059  -5.805   2.190
   95   HH11  ARG  14          1HH1      ARG  14  -6.962  -6.505   4.903
   96   HH12  ARG  14          2HH1      ARG  14  -7.245  -8.217   4.854
   97   HH21  ARG  14          1HH2      ARG  14  -9.444  -8.066   2.120
   98   HH22  ARG  14          2HH2      ARG  14  -8.656  -9.108   3.260
   99    H    GLN  15           H        GLN  15  -7.104  -3.802  -2.283
  100    HA   GLN  15           HA       GLN  15  -4.731  -5.365  -2.877
  101    HB2  GLN  15          1HB       GLN  15  -7.250  -5.767  -3.615
  102    HB3  GLN  15          2HB       GLN  15  -6.810  -4.677  -4.916
  103    HG2  GLN  15          1HG       GLN  15  -5.515  -7.315  -4.277
  104    HG3  GLN  15          2HG       GLN  15  -6.600  -6.970  -5.619
  105   HE21  GLN  15          1HE2      GLN  15  -5.855  -5.630  -7.311
  106   HE22  GLN  15          2HE2      GLN  15  -4.164  -5.457  -7.622
  107    H    ILE  16           H        ILE  16  -6.368  -2.423  -3.975
  108    HA   ILE  16           HA       ILE  16  -4.358  -1.663  -5.826
  109    HB   ILE  16           HB       ILE  16  -6.411   0.070  -4.435
  110   HG12  ILE  16          1HG1      ILE  16  -6.480  -1.247  -7.165
  111   HG13  ILE  16          2HG1      ILE  16  -7.402  -1.775  -5.759
  112   HG21  ILE  16          1HG2      ILE  16  -6.040   1.647  -6.273
  113   HG22  ILE  16          2HG2      ILE  16  -4.769   0.605  -6.911
  114   HG23  ILE  16          3HG2      ILE  16  -4.566   1.384  -5.343
  115   HD11  ILE  16          1HD1      ILE  16  -8.641   0.309  -5.764
  116   HD12  ILE  16          2HD1      ILE  16  -8.759  -0.491  -7.331
  117   HD13  ILE  16          3HD1      ILE  16  -7.685   0.892  -7.125
  118    H    GLY  17           H        GLY  17  -5.170  -0.428  -2.581
  119    HA2  GLY  17          1HA       GLY  17  -2.582  -0.284  -1.605
  120    HA3  GLY  17          2HA       GLY  17  -2.886   1.247  -2.414
  121    H    ASN  18           H        ASN  18  -3.069  -0.361   0.460
  122    HA   ASN  18           HA       ASN  18  -4.414   1.835   1.729
  123    HB2  ASN  18          1HB       ASN  18  -6.371   0.491   1.100
  124    HB3  ASN  18          2HB       ASN  18  -5.661  -0.921   1.868
  125   HD21  ASN  18          1HD2      ASN  18  -7.155   2.180   2.403
  126   HD22  ASN  18          2HD2      ASN  18  -7.510   1.936   4.075
  127    H    CYS  19           H        CYS  19  -3.838  -1.585   2.500
  128    HA   CYS  19           HA       CYS  19  -1.536  -1.029   4.087
  129    HB2  CYS  19          1HB       CYS  19  -3.456  -0.287   5.565
  130    HB3  CYS  19          2HB       CYS  19  -4.000  -1.959   5.577
  131    HG   CYS  19           HG       CYS  19  -0.813  -1.342   6.534
  132    H    GLY  20           H        GLY  20  -1.859  -2.644   1.932
  133    HA2  GLY  20          1HA       GLY  20  -1.749  -5.338   3.101
  134    HA3  GLY  20          2HA       GLY  20  -2.791  -5.045   1.720
  135    H    ARG  21           H        ARG  21   0.524  -3.940   2.437
  136    HA   ARG  21           HA       ARG  21   1.385  -5.255  -0.052
  137    HB2  ARG  21          1HB       ARG  21   2.833  -3.195   1.618
  138    HB3  ARG  21          2HB       ARG  21   3.405  -3.866   0.101
  139    HG2  ARG  21          1HG       ARG  21   0.895  -2.240   0.414
  140    HG3  ARG  21          2HG       ARG  21   2.450  -1.596  -0.101
  141    HD2  ARG  21          1HD       ARG  21   1.280  -1.948  -2.091
  142    HD3  ARG  21          2HD       ARG  21   2.351  -3.341  -1.969
  143    HE   ARG  21           HE       ARG  21   0.251  -4.453  -0.956
  144   HH11  ARG  21          1HH1      ARG  21   0.238  -2.046  -3.495
  145   HH12  ARG  21          2HH1      ARG  21  -1.235  -2.623  -4.207
  146   HH21  ARG  21          1HH2      ARG  21  -1.675  -5.230  -1.892
  147   HH22  ARG  21          2HH2      ARG  21  -2.326  -4.437  -3.296
  148    H    PHE  22           H        PHE  22   1.234  -5.758   3.178
  149    HA   PHE  22           HA       PHE  22   3.290  -7.811   3.113
  150    HB2  PHE  22          1HB       PHE  22   4.124  -7.059   5.369
  151    HB3  PHE  22          2HB       PHE  22   4.516  -5.963   4.052
  152    HD1  PHE  22           HD1      PHE  22   3.419  -3.792   3.875
  153    HD2  PHE  22           HD2      PHE  22   2.613  -6.428   7.112
  154    HE1  PHE  22           HE1      PHE  22   2.396  -1.940   5.122
  155    HE2  PHE  22           HE2      PHE  22   1.584  -4.585   8.363
  156    HZ   PHE  22           HZ       PHE  22   1.472  -2.333   7.372
  157    H    ARG  23           H        ARG  23   3.130  -8.859   5.564
  158    HA   ARG  23           HA       ARG  23   0.412  -9.781   5.737
  159    HB2  ARG  23          1HB       ARG  23   2.777 -10.314   7.549
  160    HB3  ARG  23          2HB       ARG  23   1.223 -11.123   7.667
  161    HG2  ARG  23          1HG       ARG  23   3.202 -11.303   5.406
  162    HG3  ARG  23          2HG       ARG  23   2.754 -12.567   6.549
  163    HD2  ARG  23          1HD       ARG  23   0.933 -11.313   4.493
  164    HD3  ARG  23          2HD       ARG  23   1.677 -12.903   4.376
  165    HE   ARG  23           HE       ARG  23   0.094 -12.589   6.747
  166   HH11  ARG  23          1HH1      ARG  23  -0.016 -13.348   3.336
  167   HH12  ARG  23          2HH1      ARG  23  -1.484 -14.260   3.452
  168   HH21  ARG  23          1HH2      ARG  23  -1.857 -13.779   6.903
  169   HH22  ARG  23          2HH2      ARG  23  -2.545 -14.491   5.476
  170    H    VAL  24           H        VAL  24  -1.166  -8.990   6.950
  171    HA   VAL  24           HA       VAL  24  -0.870  -6.439   8.077
  172    HB   VAL  24           HB       VAL  24  -3.194  -6.610   8.781
  173   HG11  VAL  24          1HG1      VAL  24  -4.192  -7.026   6.572
  174   HG12  VAL  24          2HG1      VAL  24  -2.681  -7.766   6.044
  175   HG13  VAL  24          3HG1      VAL  24  -2.723  -6.055   6.469
  176   HG21  VAL  24          1HG2      VAL  24  -4.496  -8.637   8.429
  177   HG22  VAL  24          2HG2      VAL  24  -3.183  -8.932   9.568
  178   HG23  VAL  24          3HG2      VAL  24  -3.047  -9.491   7.903
  179    H    ARG  25           H        ARG  25  -0.285  -9.491   9.445
  180    HA   ARG  25           HA       ARG  25  -0.834  -9.064  12.148
  181    HB2  ARG  25          1HB       ARG  25   1.464 -10.584  10.898
  182    HB3  ARG  25          2HB       ARG  25   1.029 -10.667  12.596
  183    HG2  ARG  25          1HG       ARG  25  -0.645 -11.564  10.263
  184    HG3  ARG  25          2HG       ARG  25   0.187 -12.590  11.429
  185    HD2  ARG  25          1HD       ARG  25  -2.039 -10.659  12.076
  186    HD3  ARG  25          2HD       ARG  25  -2.223 -12.400  11.891
  187    HE   ARG  25           HE       ARG  25  -0.263 -11.795  13.861
  188   HH11  ARG  25          1HH1      ARG  25  -3.713 -11.868  13.292
  189   HH12  ARG  25          2HH1      ARG  25  -4.118 -12.138  14.960
  190   HH21  ARG  25          1HH2      ARG  25  -0.793 -12.124  16.065
  191   HH22  ARG  25          2HH2      ARG  25  -2.457 -12.259  16.537
  192    H    CYS  26           H        CYS  26   1.804  -7.927  10.137
  193    HA   CYS  26           HA       CYS  26   3.496  -7.110  12.271
  194    HB2  CYS  26          1HB       CYS  26   4.267  -7.569   9.935
  195    HB3  CYS  26          2HB       CYS  26   3.478  -6.079   9.426
  196    HG   CYS  26           HG       CYS  26   5.697  -5.818  11.953
  197    H    CYS  27           H        CYS  27   1.059  -5.462  10.320
  198    HA   CYS  27           HA       CYS  27   1.527  -2.885  11.475
  199    HB2  CYS  27          1HB       CYS  27   0.508  -3.154   9.239
  200    HB3  CYS  27          2HB       CYS  27  -0.892  -3.927   9.971
  201    HG   CYS  27           HG       CYS  27  -2.024  -1.599   9.583
  202    H    ARG  28           H        ARG  28  -0.344  -5.666  12.297
  203    HA   ARG  28           HA       ARG  28  -2.103  -4.305  14.106
  204    HB2  ARG  28          1HB       ARG  28  -2.771  -6.380  12.959
  205    HB3  ARG  28          2HB       ARG  28  -1.507  -7.256  13.808
  206    HG2  ARG  28          1HG       ARG  28  -2.614  -6.740  15.944
  207    HG3  ARG  28          2HG       ARG  28  -3.908  -5.934  15.054
  208    HD2  ARG  28          1HD       ARG  28  -4.396  -8.042  13.887
  209    HD3  ARG  28          2HD       ARG  28  -3.127  -8.839  14.813
  210    HE   ARG  28           HE       ARG  28  -4.747  -7.800  16.723
  211   HH11  ARG  28          1HH1      ARG  28  -5.316  -9.822  13.929
  212   HH12  ARG  28          2HH1      ARG  28  -6.666 -10.648  14.641
  213   HH21  ARG  28          1HH2      ARG  28  -6.527  -8.889  17.666
  214   HH22  ARG  28          2HH2      ARG  28  -7.356 -10.113  16.755
  215    H    ILE  29           H        ILE  29   0.943  -6.054  14.369
  216    HA   ILE  29           HA       ILE  29   0.824  -6.026  17.258
  217    HB   ILE  29           HB       ILE  29   1.874  -7.934  16.091
  218   HG12  ILE  29          1HG1      ILE  29   3.923  -8.061  17.495
  219   HG13  ILE  29          2HG1      ILE  29   3.746  -6.348  17.866
  220   HG21  ILE  29          1HG2      ILE  29   4.062  -5.997  15.360
  221   HG22  ILE  29          2HG2      ILE  29   2.885  -6.675  14.238
  222   HG23  ILE  29          3HG2      ILE  29   4.047  -7.731  15.042
  223   HD11  ILE  29          1HD1      ILE  29   2.925  -7.777  19.666
  224   HD12  ILE  29          2HD1      ILE  29   1.757  -8.498  18.559
  225   HD13  ILE  29          3HD1      ILE  29   1.636  -6.790  18.979
  226    H    ARG  30           H        ARG  30   2.232  -4.081  14.727
  227    HA   ARG  30           HA       ARG  30   3.542  -2.433  16.789
  228    HB2  ARG  30          1HB       ARG  30   4.049  -2.490  13.813
  229    HB3  ARG  30          2HB       ARG  30   4.878  -1.461  14.967
  230    HG2  ARG  30          1HG       ARG  30   5.765  -3.482  16.068
  231    HG3  ARG  30          2HG       ARG  30   5.006  -4.457  14.810
  232    HD2  ARG  30          1HD       ARG  30   7.191  -2.415  14.497
  233    HD3  ARG  30          2HD       ARG  30   7.276  -4.147  14.176
  234    HE   ARG  30           HE       ARG  30   5.280  -2.951  12.565
  235   HH11  ARG  30          1HH1      ARG  30   8.748  -3.230  12.881
  236   HH12  ARG  30          2HH1      ARG  30   9.052  -2.943  11.199
  237   HH21  ARG  30          1HH2      ARG  30   5.672  -2.582  10.348
  238   HH22  ARG  30          2HH2      ARG  30   7.300  -2.589   9.755
  Start of MODEL   14
    1    H1   ASN   1          1H        ASN   1 -22.710  -6.127   3.485
    2    H2   ASN   1          2H        ASN   1 -23.640  -7.221   2.587
    3    H3   ASN   1          3H        ASN   1 -22.192  -7.728   3.293
    4    HA   ASN   1           HA       ASN   1 -24.064  -8.534   4.551
    5    HB2  ASN   1          1HB       ASN   1 -22.565  -6.322   5.976
    6    HB3  ASN   1          2HB       ASN   1 -23.439  -7.628   6.761
    7   HD21  ASN   1          1HD2      ASN   1 -22.580  -9.721   6.708
    8   HD22  ASN   1          2HD2      ASN   1 -20.925 -10.010   6.305
    9    H    GLY   2           H        GLY   2 -25.849  -7.473   3.196
   10    HA2  GLY   2          1HA       GLY   2 -27.924  -6.480   3.301
   11    HA3  GLY   2          2HA       GLY   2 -27.610  -6.146   4.996
   12    H    ALA   3           H        ALA   3 -27.381  -4.084   5.567
   13    HA   ALA   3           HA       ALA   3 -27.456  -2.021   3.581
   14    HB1  ALA   3          1HB       ALA   3 -27.122  -1.819   6.573
   15    HB2  ALA   3          2HB       ALA   3 -28.654  -1.798   5.699
   16    HB3  ALA   3          3HB       ALA   3 -27.495  -0.487   5.480
   17    H    ILE   4           H        ILE   4 -25.010  -3.528   5.540
   18    HA   ILE   4           HA       ILE   4 -23.022  -1.517   4.818
   19    HB   ILE   4           HB       ILE   4 -22.753  -4.027   6.492
   20   HG12  ILE   4          1HG1      ILE   4 -24.167  -2.255   7.510
   21   HG13  ILE   4          2HG1      ILE   4 -22.679  -2.534   8.415
   22   HG21  ILE   4          1HG2      ILE   4 -20.640  -3.446   5.426
   23   HG22  ILE   4          2HG2      ILE   4 -20.568  -3.143   7.161
   24   HG23  ILE   4          3HG2      ILE   4 -20.767  -1.798   6.038
   25   HD11  ILE   4          1HD1      ILE   4 -21.697  -0.545   7.359
   26   HD12  ILE   4          2HD1      ILE   4 -23.157  -0.173   8.275
   27   HD13  ILE   4          3HD1      ILE   4 -23.220  -0.262   6.515
   28    H    CYS   5           H        CYS   5 -22.586  -1.749   2.680
   29    HA   CYS   5           HA       CYS   5 -21.939  -4.409   1.643
   30    HB2  CYS   5          1HB       CYS   5 -23.485  -2.911   0.364
   31    HB3  CYS   5          2HB       CYS   5 -22.150  -1.785   0.149
   32    HG   CYS   5           HG       CYS   5 -23.012  -4.196  -1.793
   33    H    TRP   6           H        TRP   6 -20.490  -1.562   2.797
   34    HA   TRP   6           HA       TRP   6 -17.876  -2.352   1.688
   35    HB2  TRP   6          1HB       TRP   6 -18.771  -0.081   1.033
   36    HB3  TRP   6          2HB       TRP   6 -18.670   0.376   2.725
   37    HD1  TRP   6           HD1      TRP   6 -16.437  -0.481  -0.269
   38    HE1  TRP   6           HE1      TRP   6 -14.091   0.489   0.156
   39    HE3  TRP   6           HE3      TRP   6 -17.085   1.106   4.542
   40    HZ2  TRP   6           HZ2      TRP   6 -12.703   1.757   2.262
   41    HZ3  TRP   6           HZ3      TRP   6 -15.197   2.186   5.692
   42    HH2  TRP   6           HH2      TRP   6 -13.054   2.503   4.572
   43    H    GLY   7           H        GLY   7 -16.482  -3.172   3.135
   44    HA2  GLY   7          1HA       GLY   7 -17.079  -2.765   5.986
   45    HA3  GLY   7          2HA       GLY   7 -16.177  -4.118   5.321
   46    HA   PRO   8           HA       PRO   8 -13.400  -0.647   7.060
   47    HB2  PRO   8          1HB       PRO   8 -12.345  -2.935   8.621
   48    HB3  PRO   8          2HB       PRO   8 -12.711  -1.289   9.145
   49    HG2  PRO   8          1HG       PRO   8 -14.286  -3.325   9.825
   50    HG3  PRO   8          2HG       PRO   8 -14.965  -1.738   9.419
   51    HD2  PRO   8          1HD       PRO   8 -14.841  -4.227   7.762
   52    HD3  PRO   8          2HD       PRO   8 -16.151  -3.040   7.917
   53    H    CYS   9           H        CYS   9 -12.855  -3.958   6.015
   54    HA   CYS   9           HA       CYS   9 -10.322  -3.090   4.798
   55    HB2  CYS   9          1HB       CYS   9 -10.869  -5.806   6.016
   56    HB3  CYS   9          2HB       CYS   9  -9.369  -5.294   5.250
   57    HG   CYS   9           HG       CYS   9  -9.871  -5.306   8.329
   58    HA   PRO  10           HA       PRO  10 -13.028  -4.758   1.492
   59    HB2  PRO  10          1HB       PRO  10 -12.041  -2.601  -0.152
   60    HB3  PRO  10          2HB       PRO  10 -13.681  -2.864   0.440
   61    HG2  PRO  10          1HG       PRO  10 -12.074  -0.810   1.263
   62    HG3  PRO  10          2HG       PRO  10 -13.387  -1.493   2.237
   63    HD2  PRO  10          1HD       PRO  10 -10.440  -1.994   2.409
   64    HD3  PRO  10          2HD       PRO  10 -11.635  -1.816   3.713
   65    H    THR  11           H        THR  11 -12.271  -6.339   0.259
   66    HA   THR  11           HA       THR  11  -9.537  -6.890  -0.009
   67    HB   THR  11           HB       THR  11 -10.488  -8.539  -1.829
   68    HG1  THR  11           HG1      THR  11 -12.547  -8.151  -2.156
   69   HG21  THR  11          1HG2      THR  11 -11.195  -8.718   1.102
   70   HG22  THR  11          2HG2      THR  11  -9.683  -9.240   0.360
   71   HG23  THR  11          3HG2      THR  11 -11.188 -10.072  -0.026
   72    H    ALA  12           H        ALA  12 -11.817  -5.333  -2.177
   73    HA   ALA  12           HA       ALA  12 -10.088  -5.300  -4.446
   74    HB1  ALA  12          1HB       ALA  12 -12.442  -3.511  -3.851
   75    HB2  ALA  12          2HB       ALA  12 -12.541  -5.097  -4.616
   76    HB3  ALA  12          3HB       ALA  12 -11.693  -3.779  -5.425
   77    H    PHE  13           H        PHE  13 -10.502  -3.272  -1.656
   78    HA   PHE  13           HA       PHE  13  -9.166  -0.995  -2.777
   79    HB2  PHE  13          1HB       PHE  13 -10.806  -0.645  -1.034
   80    HB3  PHE  13          2HB       PHE  13  -9.905  -1.670   0.073
   81    HD1  PHE  13           HD1      PHE  13  -8.370  -0.734   1.528
   82    HD2  PHE  13           HD2      PHE  13  -9.590   1.457  -1.906
   83    HE1  PHE  13           HE1      PHE  13  -7.121   1.218   2.337
   84    HE2  PHE  13           HE2      PHE  13  -8.344   3.418  -1.102
   85    HZ   PHE  13           HZ       PHE  13  -7.105   3.302   1.023
   86    H    ARG  14           H        ARG  14  -8.255  -3.743  -0.783
   87    HA   ARG  14           HA       ARG  14  -5.724  -2.743   0.004
   88    HB2  ARG  14          1HB       ARG  14  -6.542  -5.639  -0.269
   89    HB3  ARG  14          2HB       ARG  14  -5.222  -5.008   0.705
   90    HG2  ARG  14          1HG       ARG  14  -6.916  -3.745   2.038
   91    HG3  ARG  14          2HG       ARG  14  -8.171  -4.603   1.142
   92    HD2  ARG  14          1HD       ARG  14  -7.886  -5.804   3.153
   93    HD3  ARG  14          2HD       ARG  14  -7.055  -6.747   1.916
   94    HE   ARG  14           HE       ARG  14  -5.432  -4.870   3.440
   95   HH11  ARG  14          1HH1      ARG  14  -6.416  -8.182   2.894
   96   HH12  ARG  14          2HH1      ARG  14  -5.174  -8.848   3.905
   97   HH21  ARG  14          1HH2      ARG  14  -3.799  -5.737   4.773
   98   HH22  ARG  14          2HH2      ARG  14  -3.684  -7.459   4.979
   99    H    GLN  15           H        GLN  15  -6.893  -4.255  -2.861
  100    HA   GLN  15           HA       GLN  15  -4.415  -5.049  -3.973
  101    HB2  GLN  15          1HB       GLN  15  -6.653  -5.818  -4.776
  102    HB3  GLN  15          2HB       GLN  15  -6.939  -4.206  -5.412
  103    HG2  GLN  15          1HG       GLN  15  -5.036  -4.461  -6.917
  104    HG3  GLN  15          2HG       GLN  15  -4.756  -6.081  -6.283
  105   HE21  GLN  15          1HE2      GLN  15  -5.349  -5.244  -8.996
  106   HE22  GLN  15          2HE2      GLN  15  -6.790  -6.080  -9.456
  107    H    ILE  16           H        ILE  16  -6.143  -2.050  -3.763
  108    HA   ILE  16           HA       ILE  16  -4.395  -0.671  -5.626
  109    HB   ILE  16           HB       ILE  16  -6.591   0.414  -3.847
  110   HG12  ILE  16          1HG1      ILE  16  -7.470  -1.152  -5.521
  111   HG13  ILE  16          2HG1      ILE  16  -7.947   0.499  -5.904
  112   HG21  ILE  16          1HG2      ILE  16  -4.936   2.108  -4.455
  113   HG22  ILE  16          2HG2      ILE  16  -6.490   2.416  -5.231
  114   HG23  ILE  16          3HG2      ILE  16  -5.162   1.720  -6.160
  115   HD11  ILE  16          1HD1      ILE  16  -6.157   0.603  -7.582
  116   HD12  ILE  16          2HD1      ILE  16  -7.312  -0.688  -7.909
  117   HD13  ILE  16          3HD1      ILE  16  -5.736  -1.070  -7.216
  118    H    GLY  17           H        GLY  17  -5.109  -0.727  -2.158
  119    HA2  GLY  17          1HA       GLY  17  -2.953   1.112  -1.547
  120    HA3  GLY  17          2HA       GLY  17  -4.006   0.306  -0.393
  121    H    ASN  18           H        ASN  18  -2.726  -0.805   0.976
  122    HA   ASN  18           HA       ASN  18  -0.376  -2.147  -0.102
  123    HB2  ASN  18          1HB       ASN  18   0.318  -2.527   2.176
  124    HB3  ASN  18          2HB       ASN  18  -0.181  -0.852   2.018
  125   HD21  ASN  18          1HD2      ASN  18  -0.784  -3.885   3.519
  126   HD22  ASN  18          2HD2      ASN  18  -2.046  -3.360   4.578
  127    H    CYS  19           H        CYS  19  -0.359  -4.190  -0.653
  128    HA   CYS  19           HA       CYS  19  -2.771  -5.746  -0.293
  129    HB2  CYS  19          1HB       CYS  19  -0.247  -6.408  -1.817
  130    HB3  CYS  19          2HB       CYS  19  -1.784  -7.260  -1.922
  131    HG   CYS  19           HG       CYS  19  -2.690  -4.317  -2.578
  132    H    GLY  20           H        GLY  20  -2.200  -5.774   2.107
  133    HA2  GLY  20          1HA       GLY  20  -0.107  -7.555   2.941
  134    HA3  GLY  20          2HA       GLY  20  -1.366  -6.876   3.962
  135    H    ARG  21           H        ARG  21  -1.379  -9.002   1.123
  136    HA   ARG  21           HA       ARG  21  -2.918 -10.943   2.705
  137    HB2  ARG  21          1HB       ARG  21  -3.988 -11.566   0.451
  138    HB3  ARG  21          2HB       ARG  21  -4.534 -10.104   1.251
  139    HG2  ARG  21          1HG       ARG  21  -4.347  -9.564  -1.021
  140    HG3  ARG  21          2HG       ARG  21  -2.943  -8.838  -0.249
  141    HD2  ARG  21          1HD       ARG  21  -1.585 -10.770  -0.979
  142    HD3  ARG  21          2HD       ARG  21  -2.997 -11.420  -1.811
  143    HE   ARG  21           HE       ARG  21  -2.738  -8.909  -2.829
  144   HH11  ARG  21          1HH1      ARG  21  -0.660 -11.721  -2.631
  145   HH12  ARG  21          2HH1      ARG  21   0.292 -11.271  -4.008
  146   HH21  ARG  21          1HH2      ARG  21  -1.495  -8.323  -4.647
  147   HH22  ARG  21          2HH2      ARG  21  -0.185  -9.341  -5.157
  148    H    PHE  22           H        PHE  22  -0.038 -10.429   1.360
  149    HA   PHE  22           HA       PHE  22   0.346 -13.305   0.889
  150    HB2  PHE  22          1HB       PHE  22   2.178 -12.787  -0.640
  151    HB3  PHE  22          2HB       PHE  22   0.690 -12.042  -1.199
  152    HD1  PHE  22           HD1      PHE  22   0.466  -9.660  -1.317
  153    HD2  PHE  22           HD2      PHE  22   3.993 -11.432   0.270
  154    HE1  PHE  22           HE1      PHE  22   1.622  -7.499  -1.475
  155    HE2  PHE  22           HE2      PHE  22   5.151  -9.272   0.115
  156    HZ   PHE  22           HZ       PHE  22   3.966  -7.300  -0.758
  157    H    ARG  23           H        ARG  23   2.524 -14.074   1.490
  158    HA   ARG  23           HA       ARG  23   3.235 -12.923   4.062
  159    HB2  ARG  23          1HB       ARG  23   2.893 -15.424   3.583
  160    HB3  ARG  23          2HB       ARG  23   4.448 -15.364   2.771
  161    HG2  ARG  23          1HG       ARG  23   4.779 -16.192   4.981
  162    HG3  ARG  23          2HG       ARG  23   5.465 -14.568   4.890
  163    HD2  ARG  23          1HD       ARG  23   3.616 -13.635   6.063
  164    HD3  ARG  23          2HD       ARG  23   2.690 -15.126   5.926
  165    HE   ARG  23           HE       ARG  23   4.721 -16.013   7.337
  166   HH11  ARG  23          1HH1      ARG  23   3.042 -12.965   7.680
  167   HH12  ARG  23          2HH1      ARG  23   3.289 -12.877   9.392
  168   HH21  ARG  23          1HH2      ARG  23   5.020 -15.921   9.593
  169   HH22  ARG  23          2HH2      ARG  23   4.405 -14.563  10.485
  170    H    VAL  24           H        VAL  24   4.942 -11.660   4.378
  171    HA   VAL  24           HA       VAL  24   6.429 -10.623   2.233
  172    HB   VAL  24           HB       VAL  24   7.026 -10.455   5.190
  173   HG11  VAL  24          1HG1      VAL  24   8.303  -8.447   4.646
  174   HG12  VAL  24          2HG1      VAL  24   8.000  -8.713   2.929
  175   HG13  VAL  24          3HG1      VAL  24   8.976  -9.864   3.841
  176   HG21  VAL  24          1HG2      VAL  24   4.803  -9.622   4.603
  177   HG22  VAL  24          2HG2      VAL  24   5.523  -8.560   3.396
  178   HG23  VAL  24          3HG2      VAL  24   5.873  -8.314   5.106
  179    H    ARG  25           H        ARG  25   6.968 -13.349   4.275
  180    HA   ARG  25           HA       ARG  25   9.743 -13.664   3.906
  181    HB2  ARG  25          1HB       ARG  25   7.591 -15.727   4.406
  182    HB3  ARG  25          2HB       ARG  25   9.312 -16.063   4.467
  183    HG2  ARG  25          1HG       ARG  25   9.554 -14.448   6.296
  184    HG3  ARG  25          2HG       ARG  25   7.815 -14.155   6.250
  185    HD2  ARG  25          1HD       ARG  25   7.435 -16.547   6.751
  186    HD3  ARG  25          2HD       ARG  25   9.180 -16.775   6.875
  187    HE   ARG  25           HE       ARG  25   8.309 -14.687   8.590
  188   HH11  ARG  25          1HH1      ARG  25   8.340 -18.170   8.291
  189   HH12  ARG  25          2HH1      ARG  25   8.320 -18.447  10.003
  190   HH21  ARG  25          1HH2      ARG  25   8.259 -15.037  10.836
  191   HH22  ARG  25          2HH2      ARG  25   8.263 -16.654  11.460
  192    H    CYS  26           H        CYS  26   7.001 -14.364   1.879
  193    HA   CYS  26           HA       CYS  26   8.326 -16.125   0.084
  194    HB2  CYS  26          1HB       CYS  26   5.929 -14.351  -0.444
  195    HB3  CYS  26          2HB       CYS  26   6.417 -15.758  -1.384
  196    HG   CYS  26           HG       CYS  26   5.767 -17.634   0.470
  197    H    CYS  27           H        CYS  27   8.200 -12.683   0.456
  198    HA   CYS  27           HA       CYS  27   9.236 -12.005  -2.114
  199    HB2  CYS  27          1HB       CYS  27   9.335 -10.448   0.482
  200    HB3  CYS  27          2HB       CYS  27   9.646  -9.797  -1.123
  201    HG   CYS  27           HG       CYS  27   7.083  -9.967  -2.037
  202    H    ARG  28           H        ARG  28  10.577 -13.306   0.742
  203    HA   ARG  28           HA       ARG  28  13.299 -12.579   0.061
  204    HB2  ARG  28          1HB       ARG  28  12.573 -12.838   2.439
  205    HB3  ARG  28          2HB       ARG  28  12.288 -14.544   2.132
  206    HG2  ARG  28          1HG       ARG  28  14.398 -14.249   3.245
  207    HG3  ARG  28          2HG       ARG  28  14.667 -14.829   1.599
  208    HD2  ARG  28          1HD       ARG  28  15.168 -12.550   0.876
  209    HD3  ARG  28          2HD       ARG  28  14.880 -11.961   2.511
  210    HE   ARG  28           HE       ARG  28  16.882 -13.998   2.417
  211   HH11  ARG  28          1HH1      ARG  28  16.286 -10.587   1.936
  212   HH12  ARG  28          2HH1      ARG  28  17.931 -10.125   2.235
  213   HH21  ARG  28          1HH2      ARG  28  19.050 -13.403   2.804
  214   HH22  ARG  28          2HH2      ARG  28  19.509 -11.734   2.718
  215    H    ILE  29           H        ILE  29  11.083 -15.247  -0.228
  216    HA   ILE  29           HA       ILE  29  12.927 -17.227  -1.036
  217    HB   ILE  29           HB       ILE  29   9.981 -17.026  -1.688
  218   HG12  ILE  29          1HG1      ILE  29  10.336 -16.989   0.716
  219   HG13  ILE  29          2HG1      ILE  29   9.690 -18.558   0.242
  220   HG21  ILE  29          1HG2      ILE  29  10.075 -19.438  -2.041
  221   HG22  ILE  29          2HG2      ILE  29  11.808 -19.427  -1.719
  222   HG23  ILE  29          3HG2      ILE  29  11.171 -18.600  -3.139
  223   HD11  ILE  29          1HD1      ILE  29  11.412 -18.836   1.897
  224   HD12  ILE  29          2HD1      ILE  29  12.554 -17.926   0.912
  225   HD13  ILE  29          3HD1      ILE  29  11.965 -19.492   0.357
  226    H    ARG  30           H        ARG  30  10.661 -15.249  -2.939
  227    HA   ARG  30           HA       ARG  30  12.531 -15.469  -5.189
  228    HB2  ARG  30          1HB       ARG  30  10.497 -15.455  -6.715
  229    HB3  ARG  30          2HB       ARG  30  10.815 -16.948  -5.847
  230    HG2  ARG  30          1HG       ARG  30   9.073 -16.408  -4.243
  231    HG3  ARG  30          2HG       ARG  30   8.786 -14.872  -5.057
  232    HD2  ARG  30          1HD       ARG  30   7.115 -16.495  -5.732
  233    HD3  ARG  30          2HD       ARG  30   8.148 -16.083  -7.098
  234    HE   ARG  30           HE       ARG  30   9.212 -18.359  -5.875
  235   HH11  ARG  30          1HH1      ARG  30   6.366 -17.407  -7.679
  236   HH12  ARG  30          2HH1      ARG  30   6.071 -19.002  -8.295
  237   HH21  ARG  30          1HH2      ARG  30   8.828 -20.459  -6.702
  238   HH22  ARG  30          2HH2      ARG  30   7.472 -20.734  -7.748
  Start of MODEL   15
    1    H1   ASN   1          1H        ASN   1 -22.389   2.497   6.262
    2    H2   ASN   1          2H        ASN   1 -21.179   3.651   5.993
    3    H3   ASN   1          3H        ASN   1 -21.022   2.538   7.255
    4    HA   ASN   1           HA       ASN   1 -19.631   2.021   5.312
    5    HB2  ASN   1          1HB       ASN   1 -21.768   0.065   6.156
    6    HB3  ASN   1          2HB       ASN   1 -20.384  -0.388   5.172
    7   HD21  ASN   1          1HD2      ASN   1 -19.594  -1.792   6.744
    8   HD22  ASN   1          2HD2      ASN   1 -18.864  -1.214   8.200
    9    H    GLY   2           H        GLY   2 -21.399   3.768   4.040
   10    HA2  GLY   2          1HA       GLY   2 -22.950   2.446   2.041
   11    HA3  GLY   2          2HA       GLY   2 -22.469   4.137   2.032
   12    H    ALA   3           H        ALA   3 -19.708   3.847   2.095
   13    HA   ALA   3           HA       ALA   3 -19.168   3.187  -0.649
   14    HB1  ALA   3          1HB       ALA   3 -18.092   5.102   0.436
   15    HB2  ALA   3          2HB       ALA   3 -16.900   3.950  -0.162
   16    HB3  ALA   3          3HB       ALA   3 -17.281   4.010   1.558
   17    H    ILE   4           H        ILE   4 -18.784   1.672   2.438
   18    HA   ILE   4           HA       ILE   4 -16.917  -0.330   1.523
   19    HB   ILE   4           HB       ILE   4 -18.539  -0.367   4.072
   20   HG12  ILE   4          1HG1      ILE   4 -15.815   0.878   3.586
   21   HG13  ILE   4          2HG1      ILE   4 -17.306   1.770   3.889
   22   HG21  ILE   4          1HG2      ILE   4 -15.908  -1.645   3.331
   23   HG22  ILE   4          2HG2      ILE   4 -17.456  -2.471   3.490
   24   HG23  ILE   4          3HG2      ILE   4 -16.694  -1.748   4.907
   25   HD11  ILE   4          1HD1      ILE   4 -15.944  -0.103   5.814
   26   HD12  ILE   4          2HD1      ILE   4 -17.430   0.798   6.122
   27   HD13  ILE   4          3HD1      ILE   4 -15.911   1.659   5.872
   28    H    CYS   5           H        CYS   5 -17.983  -1.337  -0.191
   29    HA   CYS   5           HA       CYS   5 -20.443  -2.794   0.504
   30    HB2  CYS   5          1HB       CYS   5 -20.826  -2.786  -2.012
   31    HB3  CYS   5          2HB       CYS   5 -20.979  -1.237  -1.190
   32    HG   CYS   5           HG       CYS   5 -19.097   0.024  -2.437
   33    H    TRP   6           H        TRP   6 -17.257  -3.324   0.196
   34    HA   TRP   6           HA       TRP   6 -17.597  -5.921  -1.156
   35    HB2  TRP   6          1HB       TRP   6 -15.087  -4.299  -0.715
   36    HB3  TRP   6          2HB       TRP   6 -15.132  -5.882  -1.465
   37    HD1  TRP   6           HD1      TRP   6 -16.145  -2.237  -2.131
   38    HE1  TRP   6           HE1      TRP   6 -16.431  -1.921  -4.663
   39    HE3  TRP   6           HE3      TRP   6 -15.608  -7.094  -3.618
   40    HZ2  TRP   6           HZ2      TRP   6 -16.428  -3.522  -6.991
   41    HZ3  TRP   6           HZ3      TRP   6 -15.759  -7.615  -6.015
   42    HH2  TRP   6           HH2      TRP   6 -16.160  -5.867  -7.665
   43    H    GLY   7           H        GLY   7 -18.520  -5.871   1.369
   44    HA2  GLY   7          1HA       GLY   7 -18.347  -7.342   3.175
   45    HA3  GLY   7          2HA       GLY   7 -16.684  -7.674   2.714
   46    HA   PRO   8           HA       PRO   8 -16.623  -4.930   6.500
   47    HB2  PRO   8          1HB       PRO   8 -14.567  -6.870   7.334
   48    HB3  PRO   8          2HB       PRO   8 -15.970  -6.270   8.223
   49    HG2  PRO   8          1HG       PRO   8 -15.874  -8.775   7.272
   50    HG3  PRO   8          2HG       PRO   8 -17.386  -7.849   7.322
   51    HD2  PRO   8          1HD       PRO   8 -15.578  -8.398   4.999
   52    HD3  PRO   8          2HD       PRO   8 -17.350  -8.394   5.069
   53    H    CYS   9           H        CYS   9 -13.874  -6.670   5.060
   54    HA   CYS   9           HA       CYS   9 -12.475  -4.091   4.834
   55    HB2  CYS   9          1HB       CYS   9 -11.430  -5.704   6.452
   56    HB3  CYS   9          2HB       CYS   9 -11.191  -6.819   5.113
   57    HG   CYS   9           HG       CYS   9  -9.384  -4.188   6.035
   58    HA   PRO  10           HA       PRO  10 -13.638  -5.189   0.561
   59    HB2  PRO  10          1HB       PRO  10 -12.175  -2.599   0.272
   60    HB3  PRO  10          2HB       PRO  10 -13.690  -3.111  -0.475
   61    HG2  PRO  10          1HG       PRO  10 -13.747  -1.437   1.561
   62    HG3  PRO  10          2HG       PRO  10 -14.915  -2.774   1.482
   63    HD2  PRO  10          1HD       PRO  10 -12.453  -2.505   3.159
   64    HD3  PRO  10          2HD       PRO  10 -14.023  -3.219   3.571
   65    H    THR  11           H        THR  11 -12.427  -6.664  -0.431
   66    HA   THR  11           HA       THR  11  -9.615  -6.802  -0.259
   67    HB   THR  11           HB       THR  11 -11.411  -8.120  -2.305
   68    HG1  THR  11           HG1      THR  11 -10.836  -8.668   0.392
   69   HG21  THR  11          1HG2      THR  11  -9.645  -9.808  -2.434
   70   HG22  THR  11          2HG2      THR  11  -8.674  -8.889  -1.283
   71   HG23  THR  11          3HG2      THR  11  -9.026  -8.216  -2.875
   72    H    ALA  12           H        ALA  12 -11.829  -5.424  -2.601
   73    HA   ALA  12           HA       ALA  12 -10.001  -4.795  -4.630
   74    HB1  ALA  12          1HB       ALA  12 -12.452  -4.669  -4.879
   75    HB2  ALA  12          2HB       ALA  12 -11.645  -3.188  -5.392
   76    HB3  ALA  12          3HB       ALA  12 -12.466  -3.249  -3.833
   77    H    PHE  13           H        PHE  13 -10.849  -3.132  -1.648
   78    HA   PHE  13           HA       PHE  13  -9.376  -0.759  -2.296
   79    HB2  PHE  13          1HB       PHE  13 -11.361  -0.776  -0.790
   80    HB3  PHE  13          2HB       PHE  13 -10.410  -1.662   0.394
   81    HD1  PHE  13           HD1      PHE  13 -10.315   1.471  -1.606
   82    HD2  PHE  13           HD2      PHE  13  -9.305  -0.492   2.027
   83    HE1  PHE  13           HE1      PHE  13  -9.497   3.597  -0.689
   84    HE2  PHE  13           HE2      PHE  13  -8.484   1.628   2.951
   85    HZ   PHE  13           HZ       PHE  13  -8.578   3.681   1.594
   86    H    ARG  14           H        ARG  14  -8.719  -3.769  -0.694
   87    HA   ARG  14           HA       ARG  14  -6.176  -2.840   0.350
   88    HB2  ARG  14          1HB       ARG  14  -7.456  -5.577   0.341
   89    HB3  ARG  14          2HB       ARG  14  -5.917  -5.205   1.099
   90    HG2  ARG  14          1HG       ARG  14  -8.588  -4.032   1.842
   91    HG3  ARG  14          2HG       ARG  14  -7.706  -5.275   2.731
   92    HD2  ARG  14          1HD       ARG  14  -6.807  -2.431   2.252
   93    HD3  ARG  14          2HD       ARG  14  -7.383  -3.101   3.778
   94    HE   ARG  14           HE       ARG  14  -5.181  -4.605   2.849
   95   HH11  ARG  14          1HH1      ARG  14  -5.941  -1.483   4.235
   96   HH12  ARG  14          2HH1      ARG  14  -4.389  -1.294   4.979
   97   HH21  ARG  14          1HH2      ARG  14  -3.133  -4.350   3.787
   98   HH22  ARG  14          2HH2      ARG  14  -2.785  -2.934   4.728
   99    H    GLN  15           H        GLN  15  -7.308  -3.782  -2.591
  100    HA   GLN  15           HA       GLN  15  -4.912  -5.235  -3.407
  101    HB2  GLN  15          1HB       GLN  15  -7.308  -5.938  -3.990
  102    HB3  GLN  15          2HB       GLN  15  -7.312  -4.588  -5.111
  103    HG2  GLN  15          1HG       GLN  15  -5.510  -5.560  -6.363
  104    HG3  GLN  15          2HG       GLN  15  -5.338  -6.856  -5.178
  105   HE21  GLN  15          1HE2      GLN  15  -6.878  -8.499  -5.109
  106   HE22  GLN  15          2HE2      GLN  15  -7.989  -8.770  -6.404
  107    H    ILE  16           H        ILE  16  -5.339  -2.243  -2.824
  108    HA   ILE  16           HA       ILE  16  -4.807  -0.898  -5.280
  109    HB   ILE  16           HB       ILE  16  -4.394  -0.010  -2.419
  110   HG12  ILE  16          1HG1      ILE  16  -6.746  -0.408  -3.024
  111   HG13  ILE  16          2HG1      ILE  16  -6.436   1.308  -2.773
  112   HG21  ILE  16          1HG2      ILE  16  -4.280   1.645  -4.938
  113   HG22  ILE  16          2HG2      ILE  16  -2.905   1.217  -3.920
  114   HG23  ILE  16          3HG2      ILE  16  -4.180   2.260  -3.289
  115   HD11  ILE  16          1HD1      ILE  16  -7.872   0.985  -4.679
  116   HD12  ILE  16          2HD1      ILE  16  -6.696  -0.097  -5.422
  117   HD13  ILE  16          3HD1      ILE  16  -6.311   1.611  -5.210
  118    H    GLY  17           H        GLY  17  -2.803  -1.953  -2.546
  119    HA2  GLY  17          1HA       GLY  17  -0.339  -1.190  -3.796
  120    HA3  GLY  17          2HA       GLY  17  -0.518  -2.202  -2.368
  121    H    ASN  18           H        ASN  18   0.022  -2.123  -5.734
  122    HA   ASN  18           HA       ASN  18  -0.693  -4.838  -6.280
  123    HB2  ASN  18          1HB       ASN  18  -0.752  -3.132  -8.040
  124    HB3  ASN  18          2HB       ASN  18   0.987  -2.919  -7.900
  125   HD21  ASN  18          1HD2      ASN  18   1.357  -3.494 -10.030
  126   HD22  ASN  18          2HD2      ASN  18   1.207  -5.123 -10.588
  127    H    CYS  19           H        CYS  19   2.489  -3.241  -6.445
  128    HA   CYS  19           HA       CYS  19   3.680  -5.721  -5.430
  129    HB2  CYS  19          1HB       CYS  19   5.534  -5.387  -7.107
  130    HB3  CYS  19          2HB       CYS  19   3.985  -5.864  -7.793
  131    HG   CYS  19           HG       CYS  19   5.754  -3.641  -9.003
  132    H    GLY  20           H        GLY  20   5.746  -5.448  -4.419
  133    HA2  GLY  20          1HA       GLY  20   7.471  -4.198  -3.443
  134    HA3  GLY  20          2HA       GLY  20   6.656  -2.721  -3.940
  135    H    ARG  21           H        ARG  21   4.466  -4.815  -2.552
  136    HA   ARG  21           HA       ARG  21   4.232  -3.203  -0.193
  137    HB2  ARG  21          1HB       ARG  21   2.301  -4.266  -1.455
  138    HB3  ARG  21          2HB       ARG  21   2.814  -5.810  -0.798
  139    HG2  ARG  21          1HG       ARG  21   2.200  -3.516   1.018
  140    HG3  ARG  21          2HG       ARG  21   0.907  -4.506   0.347
  141    HD2  ARG  21          1HD       ARG  21   1.895  -6.498   1.331
  142    HD3  ARG  21          2HD       ARG  21   3.239  -5.542   1.956
  143    HE   ARG  21           HE       ARG  21   1.143  -4.302   3.060
  144   HH11  ARG  21          1HH1      ARG  21   1.915  -7.706   2.831
  145   HH12  ARG  21          2HH1      ARG  21   1.155  -8.113   4.332
  146   HH21  ARG  21          1HH2      ARG  21   0.149  -4.830   5.052
  147   HH22  ARG  21          2HH2      ARG  21   0.155  -6.476   5.598
  148    H    PHE  22           H        PHE  22   5.351  -6.434  -1.000
  149    HA   PHE  22           HA       PHE  22   6.730  -6.493   1.590
  150    HB2  PHE  22          1HB       PHE  22   6.585  -9.017   1.417
  151    HB3  PHE  22          2HB       PHE  22   5.076  -8.190   1.770
  152    HD1  PHE  22           HD1      PHE  22   6.955 -10.090  -0.721
  153    HD2  PHE  22           HD2      PHE  22   3.278  -8.152   0.180
  154    HE1  PHE  22           HE1      PHE  22   5.890 -11.234  -2.620
  155    HE2  PHE  22           HE2      PHE  22   2.210  -9.290  -1.714
  156    HZ   PHE  22           HZ       PHE  22   3.513 -10.834  -3.120
  157    H    ARG  23           H        ARG  23   8.824  -7.359   1.572
  158    HA   ARG  23           HA       ARG  23  10.083  -7.143  -1.071
  159    HB2  ARG  23          1HB       ARG  23  11.385  -7.033   1.655
  160    HB3  ARG  23          2HB       ARG  23  12.151  -6.672   0.116
  161    HG2  ARG  23          1HG       ARG  23   9.950  -5.091   1.432
  162    HG3  ARG  23          2HG       ARG  23  11.647  -4.634   1.312
  163    HD2  ARG  23          1HD       ARG  23  11.437  -4.580  -1.144
  164    HD3  ARG  23          2HD       ARG  23   9.726  -4.987  -0.992
  165    HE   ARG  23           HE       ARG  23   9.951  -2.773   0.535
  166   HH11  ARG  23          1HH1      ARG  23  10.922  -3.500  -2.743
  167   HH12  ARG  23          2HH1      ARG  23  10.757  -1.864  -3.292
  168   HH21  ARG  23          1HH2      ARG  23   9.737  -0.609  -0.189
  169   HH22  ARG  23          2HH2      ARG  23  10.101  -0.221  -1.839
  170    H    VAL  24           H        VAL  24  11.477  -8.714  -1.831
  171    HA   VAL  24           HA       VAL  24  11.091 -11.339  -0.597
  172    HB   VAL  24           HB       VAL  24  12.212 -10.738  -3.334
  173   HG11  VAL  24          1HG1      VAL  24  11.083 -13.269  -2.146
  174   HG12  VAL  24          2HG1      VAL  24  12.786 -12.941  -2.466
  175   HG13  VAL  24          3HG1      VAL  24  11.644 -13.070  -3.806
  176   HG21  VAL  24          1HG2      VAL  24   9.376 -11.416  -2.566
  177   HG22  VAL  24          2HG2      VAL  24   9.993 -11.274  -4.212
  178   HG23  VAL  24          3HG2      VAL  24   9.943  -9.856  -3.163
  179    H    ARG  25           H        ARG  25  13.643  -9.175  -1.734
  180    HA   ARG  25           HA       ARG  25  15.784 -10.954  -1.451
  181    HB2  ARG  25          1HB       ARG  25  17.257  -9.069  -1.597
  182    HB3  ARG  25          2HB       ARG  25  15.912  -8.793  -2.687
  183    HG2  ARG  25          1HG       ARG  25  15.996  -7.616   0.073
  184    HG3  ARG  25          2HG       ARG  25  16.747  -6.825  -1.313
  185    HD2  ARG  25          1HD       ARG  25  14.587  -6.775  -2.458
  186    HD3  ARG  25          2HD       ARG  25  13.831  -7.579  -1.087
  187    HE   ARG  25           HE       ARG  25  14.484  -5.555   0.222
  188   HH11  ARG  25          1HH1      ARG  25  14.086  -5.362  -3.254
  189   HH12  ARG  25          2HH1      ARG  25  13.662  -3.683  -3.238
  190   HH21  ARG  25          1HH2      ARG  25  13.917  -3.343   0.247
  191   HH22  ARG  25          2HH2      ARG  25  13.566  -2.534  -1.248
  192    H    CYS  26           H        CYS  26  14.116  -9.035   0.944
  193    HA   CYS  26           HA       CYS  26  16.122  -9.128   2.936
  194    HB2  CYS  26          1HB       CYS  26  14.207  -8.645   4.507
  195    HB3  CYS  26          2HB       CYS  26  14.394  -7.503   3.180
  196    HG   CYS  26           HG       CYS  26  11.663  -8.590   4.050
  197    H    CYS  27           H        CYS  27  13.348 -11.205   2.211
  198    HA   CYS  27           HA       CYS  27  13.730 -12.974   4.392
  199    HB2  CYS  27          1HB       CYS  27  12.380 -13.506   1.735
  200    HB3  CYS  27          2HB       CYS  27  12.181 -14.451   3.208
  201    HG   CYS  27           HG       CYS  27  11.389 -11.657   4.325
  202    H    ARG  28           H        ARG  28  15.446 -12.516   1.515
  203    HA   ARG  28           HA       ARG  28  16.441 -15.230   1.373
  204    HB2  ARG  28          1HB       ARG  28  16.054 -13.874  -0.680
  205    HB3  ARG  28          2HB       ARG  28  17.319 -12.772  -0.156
  206    HG2  ARG  28          1HG       ARG  28  18.090 -14.351  -1.862
  207    HG3  ARG  28          2HG       ARG  28  18.975 -14.516  -0.345
  208    HD2  ARG  28          1HD       ARG  28  18.363 -16.692  -1.374
  209    HD3  ARG  28          2HD       ARG  28  17.706 -16.472   0.247
  210    HE   ARG  28           HE       ARG  28  15.897 -15.682  -1.845
  211   HH11  ARG  28          1HH1      ARG  28  17.075 -18.382   0.048
  212   HH12  ARG  28          2HH1      ARG  28  15.624 -19.312  -0.137
  213   HH21  ARG  28          1HH2      ARG  28  13.969 -16.897  -2.070
  214   HH22  ARG  28          2HH2      ARG  28  13.858 -18.470  -1.340
  215    H    ILE  29           H        ILE  29  17.373 -12.172   2.744
  216    HA   ILE  29           HA       ILE  29  20.062 -13.211   3.290
  217    HB   ILE  29           HB       ILE  29  20.675 -10.899   3.895
  218   HG12  ILE  29          1HG1      ILE  29  17.858 -10.228   2.998
  219   HG13  ILE  29          2HG1      ILE  29  18.467 -10.122   4.647
  220   HG21  ILE  29          1HG2      ILE  29  21.037 -11.670   1.622
  221   HG22  ILE  29          2HG2      ILE  29  20.572  -9.969   1.609
  222   HG23  ILE  29          3HG2      ILE  29  19.396 -11.209   1.176
  223   HD11  ILE  29          1HD1      ILE  29  19.428  -8.492   2.307
  224   HD12  ILE  29          2HD1      ILE  29  20.029  -8.382   3.962
  225   HD13  ILE  29          3HD1      ILE  29  18.362  -7.936   3.599
  226    H    ARG  30           H        ARG  30  17.081 -12.386   4.862
  227    HA   ARG  30           HA       ARG  30  18.265 -13.290   7.373
  228    HB2  ARG  30          1HB       ARG  30  17.002 -11.502   8.612
  229    HB3  ARG  30          2HB       ARG  30  18.373 -10.936   7.676
  230    HG2  ARG  30          1HG       ARG  30  16.920 -10.090   5.963
  231    HG3  ARG  30          2HG       ARG  30  15.508 -10.782   6.764
  232    HD2  ARG  30          1HD       ARG  30  17.313  -8.651   7.909
  233    HD3  ARG  30          2HD       ARG  30  15.732  -8.367   7.184
  234    HE   ARG  30           HE       ARG  30  15.189 -10.162   9.130
  235   HH11  ARG  30          1HH1      ARG  30  16.870  -7.096   9.110
  236   HH12  ARG  30          2HH1      ARG  30  16.482  -6.728  10.760
  237   HH21  ARG  30          1HH2      ARG  30  14.668  -9.678  11.303
  238   HH22  ARG  30          2HH2      ARG  30  15.223  -8.193  12.006
  Start of MODEL   16
    1    H1   ASN   1          1H        ASN   1 -15.555 -12.401  -8.325
    2    H2   ASN   1          2H        ASN   1 -15.316 -10.966  -7.470
    3    H3   ASN   1          3H        ASN   1 -15.325 -12.448  -6.654
    4    HA   ASN   1           HA       ASN   1 -13.334 -13.142  -7.772
    5    HB2  ASN   1          1HB       ASN   1 -12.103 -11.564  -9.195
    6    HB3  ASN   1          2HB       ASN   1 -13.692 -11.905  -9.866
    7   HD21  ASN   1          1HD2      ASN   1 -11.922  -9.625 -10.310
    8   HD22  ASN   1          2HD2      ASN   1 -12.844  -8.225  -9.878
    9    H    GLY   2           H        GLY   2 -14.531 -10.866  -5.714
   10    HA2  GLY   2          1HA       GLY   2 -13.607 -10.269  -3.656
   11    HA3  GLY   2          2HA       GLY   2 -12.033 -10.802  -4.233
   12    H    ALA   3           H        ALA   3 -14.005  -8.635  -6.114
   13    HA   ALA   3           HA       ALA   3 -11.976  -6.557  -5.721
   14    HB1  ALA   3          1HB       ALA   3 -14.093  -6.779  -7.858
   15    HB2  ALA   3          2HB       ALA   3 -12.412  -7.281  -8.030
   16    HB3  ALA   3          3HB       ALA   3 -12.803  -5.579  -7.786
   17    H    ILE   4           H        ILE   4 -14.243  -7.197  -3.875
   18    HA   ILE   4           HA       ILE   4 -16.084  -5.020  -4.143
   19    HB   ILE   4           HB       ILE   4 -16.951  -5.687  -1.935
   20   HG12  ILE   4          1HG1      ILE   4 -14.833  -7.852  -2.003
   21   HG13  ILE   4          2HG1      ILE   4 -14.759  -6.420  -0.977
   22   HG21  ILE   4          1HG2      ILE   4 -17.822  -6.762  -3.921
   23   HG22  ILE   4          2HG2      ILE   4 -17.750  -7.922  -2.595
   24   HG23  ILE   4          3HG2      ILE   4 -16.533  -7.964  -3.871
   25   HD11  ILE   4          1HD1      ILE   4 -16.872  -8.563  -0.868
   26   HD12  ILE   4          2HD1      ILE   4 -16.792  -7.138   0.168
   27   HD13  ILE   4          3HD1      ILE   4 -15.531  -8.367   0.256
   28    H    CYS   5           H        CYS   5 -15.929  -3.045  -3.382
   29    HA   CYS   5           HA       CYS   5 -13.676  -2.371  -1.633
   30    HB2  CYS   5          1HB       CYS   5 -15.444  -0.586  -3.318
   31    HB3  CYS   5          2HB       CYS   5 -14.085  -0.042  -2.343
   32    HG   CYS   5           HG       CYS   5 -13.801  -2.194  -4.993
   33    H    TRP   6           H        TRP   6 -17.001  -2.866  -1.655
   34    HA   TRP   6           HA       TRP   6 -17.289  -1.453   0.908
   35    HB2  TRP   6          1HB       TRP   6 -18.683  -0.481  -0.899
   36    HB3  TRP   6          2HB       TRP   6 -19.448  -2.045  -1.130
   37    HD1  TRP   6           HD1      TRP   6 -21.436  -2.652   0.435
   38    HE1  TRP   6           HE1      TRP   6 -22.671  -1.418   2.327
   39    HE3  TRP   6           HE3      TRP   6 -18.204   1.245   1.094
   40    HZ2  TRP   6           HZ2      TRP   6 -22.307   0.907   3.897
   41    HZ3  TRP   6           HZ3      TRP   6 -18.716   2.927   2.809
   42    HH2  TRP   6           HH2      TRP   6 -20.725   2.761   4.180
   43    H    GLY   7           H        GLY   7 -17.986  -2.622   2.617
   44    HA2  GLY   7          1HA       GLY   7 -19.579  -4.718   2.930
   45    HA3  GLY   7          2HA       GLY   7 -18.161  -5.505   2.250
   46    HA   PRO   8           HA       PRO   8 -17.722  -5.443   6.913
   47    HB2  PRO   8          1HB       PRO   8 -16.429  -8.027   6.235
   48    HB3  PRO   8          2HB       PRO   8 -17.593  -7.654   7.511
   49    HG2  PRO   8          1HG       PRO   8 -18.334  -9.025   5.347
   50    HG3  PRO   8          2HG       PRO   8 -19.413  -7.830   6.091
   51    HD2  PRO   8          1HD       PRO   8 -17.737  -7.595   3.625
   52    HD3  PRO   8          2HD       PRO   8 -19.374  -6.989   3.937
   53    H    CYS   9           H        CYS   9 -15.517  -6.553   4.388
   54    HA   CYS   9           HA       CYS   9 -13.515  -4.659   5.311
   55    HB2  CYS   9          1HB       CYS   9 -12.892  -7.594   4.896
   56    HB3  CYS   9          2HB       CYS   9 -11.711  -6.333   5.227
   57    HG   CYS   9           HG       CYS   9 -13.840  -6.089   7.620
   58    HA   PRO  10           HA       PRO  10 -13.721  -4.181   0.810
   59    HB2  PRO  10          1HB       PRO  10 -11.436  -2.393   1.480
   60    HB3  PRO  10          2HB       PRO  10 -12.863  -2.066   0.489
   61    HG2  PRO  10          1HG       PRO  10 -12.661  -1.044   2.934
   62    HG3  PRO  10          2HG       PRO  10 -14.213  -1.662   2.338
   63    HD2  PRO  10          1HD       PRO  10 -12.281  -2.916   4.247
   64    HD3  PRO  10          2HD       PRO  10 -14.055  -2.925   4.269
   65    H    THR  11           H        THR  11 -12.824  -5.733  -0.391
   66    HA   THR  11           HA       THR  11 -10.319  -6.934   0.429
   67    HB   THR  11           HB       THR  11 -11.999  -7.733  -1.947
   68    HG1  THR  11           HG1      THR  11 -12.385  -8.241   0.824
   69   HG21  THR  11          1HG2      THR  11  -9.783  -8.778  -1.739
   70   HG22  THR  11          2HG2      THR  11 -11.075  -9.953  -1.493
   71   HG23  THR  11          3HG2      THR  11 -10.190  -9.312  -0.109
   72    H    ALA  12           H        ALA  12 -11.482  -4.725  -1.934
   73    HA   ALA  12           HA       ALA  12  -9.250  -5.105  -3.740
   74    HB1  ALA  12          1HB       ALA  12 -11.464  -4.555  -4.625
   75    HB2  ALA  12          2HB       ALA  12 -10.271  -3.331  -5.058
   76    HB3  ALA  12          3HB       ALA  12 -11.426  -3.017  -3.762
   77    H    PHE  13           H        PHE  13  -9.685  -3.501  -0.851
   78    HA   PHE  13           HA       PHE  13  -8.469  -1.022  -1.323
   79    HB2  PHE  13          1HB       PHE  13  -9.733  -1.485   0.717
   80    HB3  PHE  13          2HB       PHE  13  -8.499  -2.628   1.236
   81    HD1  PHE  13           HD1      PHE  13  -6.768  -1.897   2.587
   82    HD2  PHE  13           HD2      PHE  13  -8.929   0.929   0.254
   83    HE1  PHE  13           HE1      PHE  13  -5.522  -0.068   3.655
   84    HE2  PHE  13           HE2      PHE  13  -7.691   2.763   1.318
   85    HZ   PHE  13           HZ       PHE  13  -5.982   2.268   3.021
   86    H    ARG  14           H        ARG  14  -7.062  -4.122  -0.308
   87    HA   ARG  14           HA       ARG  14  -4.409  -2.957  -0.346
   88    HB2  ARG  14          1HB       ARG  14  -5.363  -5.759   0.239
   89    HB3  ARG  14          2HB       ARG  14  -3.670  -5.288   0.240
   90    HG2  ARG  14          1HG       ARG  14  -4.217  -3.593   1.990
   91    HG3  ARG  14          2HG       ARG  14  -5.846  -4.267   2.054
   92    HD2  ARG  14          1HD       ARG  14  -3.289  -5.768   2.624
   93    HD3  ARG  14          2HD       ARG  14  -4.421  -5.167   3.833
   94    HE   ARG  14           HE       ARG  14  -5.952  -6.749   2.238
   95   HH11  ARG  14          1HH1      ARG  14  -2.967  -7.240   4.008
   96   HH12  ARG  14          2HH1      ARG  14  -3.272  -8.923   4.307
   97   HH21  ARG  14          1HH2      ARG  14  -6.346  -8.962   2.613
   98   HH22  ARG  14          2HH2      ARG  14  -5.201  -9.894   3.526
   99    H    GLN  15           H        GLN  15  -6.391  -3.749  -2.696
  100    HA   GLN  15           HA       GLN  15  -4.326  -4.895  -4.431
  101    HB2  GLN  15          1HB       GLN  15  -7.239  -4.329  -5.023
  102    HB3  GLN  15          2HB       GLN  15  -6.109  -5.140  -6.093
  103    HG2  GLN  15          1HG       GLN  15  -5.889  -6.957  -4.468
  104    HG3  GLN  15          2HG       GLN  15  -7.056  -6.147  -3.423
  105   HE21  GLN  15          1HE2      GLN  15  -8.532  -7.805  -3.504
  106   HE22  GLN  15          2HE2      GLN  15  -9.452  -8.173  -4.922
  107    H    ILE  16           H        ILE  16  -6.534  -2.149  -4.142
  108    HA   ILE  16           HA       ILE  16  -5.336  -0.641  -6.249
  109    HB   ILE  16           HB       ILE  16  -7.086   0.268  -3.953
  110   HG12  ILE  16          1HG1      ILE  16  -7.774  -0.358  -6.839
  111   HG13  ILE  16          2HG1      ILE  16  -8.175  -1.368  -5.451
  112   HG21  ILE  16          1HG2      ILE  16  -7.499   2.276  -5.328
  113   HG22  ILE  16          2HG2      ILE  16  -6.290   1.712  -6.483
  114   HG23  ILE  16          3HG2      ILE  16  -5.810   2.131  -4.838
  115   HD11  ILE  16          1HD1      ILE  16  -9.188   1.429  -5.930
  116   HD12  ILE  16          2HD1      ILE  16  -9.615   0.384  -4.573
  117   HD13  ILE  16          3HD1      ILE  16 -10.089  -0.063  -6.213
  118    H    GLY  17           H        GLY  17  -5.054  -0.726  -2.726
  119    HA2  GLY  17          1HA       GLY  17  -3.048   1.368  -2.713
  120    HA3  GLY  17          2HA       GLY  17  -3.656   0.489  -1.319
  121    H    ASN  18           H        ASN  18  -2.787  -1.559  -3.833
  122    HA   ASN  18           HA       ASN  18  -0.499  -2.554  -2.398
  123    HB2  ASN  18          1HB       ASN  18  -2.076  -4.043  -3.636
  124    HB3  ASN  18          2HB       ASN  18  -1.526  -3.323  -5.141
  125   HD21  ASN  18          1HD2      ASN  18  -0.755  -5.248  -5.957
  126   HD22  ASN  18          2HD2      ASN  18   0.652  -6.027  -5.332
  127    H    CYS  19           H        CYS  19   1.594  -2.090  -2.780
  128    HA   CYS  19           HA       CYS  19   2.178   0.164  -4.435
  129    HB2  CYS  19          1HB       CYS  19   3.258  -0.362  -2.206
  130    HB3  CYS  19          2HB       CYS  19   4.180  -1.609  -3.038
  131    HG   CYS  19           HG       CYS  19   5.010   1.446  -2.611
  132    H    GLY  20           H        GLY  20   1.531  -0.740  -6.473
  133    HA2  GLY  20          1HA       GLY  20   3.780  -2.186  -7.726
  134    HA3  GLY  20          2HA       GLY  20   2.105  -2.521  -8.155
  135    H    ARG  21           H        ARG  21   3.318   0.646  -7.422
  136    HA   ARG  21           HA       ARG  21   2.355   1.659  -9.942
  137    HB2  ARG  21          1HB       ARG  21   3.808   3.082  -7.704
  138    HB3  ARG  21          2HB       ARG  21   2.979   3.853  -9.049
  139    HG2  ARG  21          1HG       ARG  21   0.854   2.982  -8.268
  140    HG3  ARG  21          2HG       ARG  21   1.669   2.141  -6.948
  141    HD2  ARG  21          1HD       ARG  21   2.498   4.370  -6.164
  142    HD3  ARG  21          2HD       ARG  21   1.455   5.115  -7.372
  143    HE   ARG  21           HE       ARG  21  -0.348   3.715  -6.104
  144   HH11  ARG  21          1HH1      ARG  21   2.351   5.468  -4.731
  145   HH12  ARG  21          2HH1      ARG  21   1.561   5.759  -3.216
  146   HH21  ARG  21          1HH2      ARG  21  -1.395   4.089  -4.105
  147   HH22  ARG  21          2HH2      ARG  21  -0.581   4.979  -2.859
  148    H    PHE  22           H        PHE  22   5.349   0.728  -8.539
  149    HA   PHE  22           HA       PHE  22   6.928   1.929 -10.660
  150    HB2  PHE  22          1HB       PHE  22   8.856   0.949  -9.453
  151    HB3  PHE  22          2HB       PHE  22   7.880   1.976  -8.418
  152    HD1  PHE  22           HD1      PHE  22   9.086  -1.381  -9.040
  153    HD2  PHE  22           HD2      PHE  22   6.458   0.987  -6.674
  154    HE1  PHE  22           HE1      PHE  22   8.909  -3.211  -7.410
  155    HE2  PHE  22           HE2      PHE  22   6.275  -0.841  -5.045
  156    HZ   PHE  22           HZ       PHE  22   7.501  -2.944  -5.410
  157    H    ARG  23           H        ARG  23   8.506   0.470 -11.795
  158    HA   ARG  23           HA       ARG  23   6.943  -1.635 -12.996
  159    HB2  ARG  23          1HB       ARG  23   9.722  -0.666 -13.674
  160    HB3  ARG  23          2HB       ARG  23   8.741  -1.742 -14.653
  161    HG2  ARG  23          1HG       ARG  23   7.952   1.081 -13.967
  162    HG3  ARG  23          2HG       ARG  23   8.820   0.629 -15.431
  163    HD2  ARG  23          1HD       ARG  23   6.472   0.846 -15.935
  164    HD3  ARG  23          2HD       ARG  23   6.932  -0.849 -16.052
  165    HE   ARG  23           HE       ARG  23   5.684  -1.309 -14.118
  166   HH11  ARG  23          1HH1      ARG  23   5.500   2.074 -15.024
  167   HH12  ARG  23          2HH1      ARG  23   4.104   2.387 -14.047
  168   HH21  ARG  23          1HH2      ARG  23   3.834  -0.890 -12.845
  169   HH22  ARG  23          2HH2      ARG  23   3.160   0.707 -12.811
  170    H    VAL  24           H        VAL  24   6.855  -3.448 -11.871
  171    HA   VAL  24           HA       VAL  24   8.851  -4.321 -10.074
  172    HB   VAL  24           HB       VAL  24   6.652  -6.014 -11.268
  173   HG11  VAL  24          1HG1      VAL  24   8.172  -6.227  -8.672
  174   HG12  VAL  24          2HG1      VAL  24   8.297  -7.309 -10.059
  175   HG13  VAL  24          3HG1      VAL  24   6.799  -7.235  -9.132
  176   HG21  VAL  24          1HG2      VAL  24   5.289  -5.340  -9.342
  177   HG22  VAL  24          2HG2      VAL  24   5.692  -3.966 -10.370
  178   HG23  VAL  24          3HG2      VAL  24   6.551  -4.211  -8.851
  179    H    ARG  25           H        ARG  25   8.346  -4.815 -13.447
  180    HA   ARG  25           HA       ARG  25   9.750  -7.191 -13.890
  181    HB2  ARG  25          1HB       ARG  25   9.653  -4.757 -15.680
  182    HB3  ARG  25          2HB       ARG  25  10.068  -6.387 -16.182
  183    HG2  ARG  25          1HG       ARG  25   7.827  -7.145 -15.750
  184    HG3  ARG  25          2HG       ARG  25   7.391  -5.574 -15.071
  185    HD2  ARG  25          1HD       ARG  25   8.130  -6.187 -17.934
  186    HD3  ARG  25          2HD       ARG  25   6.551  -5.699 -17.323
  187    HE   ARG  25           HE       ARG  25   8.721  -3.823 -16.864
  188   HH11  ARG  25          1HH1      ARG  25   6.052  -4.752 -18.931
  189   HH12  ARG  25          2HH1      ARG  25   5.889  -3.177 -19.638
  190   HH21  ARG  25          1HH2      ARG  25   8.524  -1.766 -17.806
  191   HH22  ARG  25          2HH2      ARG  25   7.305  -1.478 -19.007
  192    H    CYS  26           H        CYS  26  10.883  -3.966 -13.200
  193    HA   CYS  26           HA       CYS  26  13.583  -4.491 -14.084
  194    HB2  CYS  26          1HB       CYS  26  12.633  -2.236 -14.280
  195    HB3  CYS  26          2HB       CYS  26  12.452  -2.153 -12.532
  196    HG   CYS  26           HG       CYS  26  15.426  -2.654 -12.413
  197    H    CYS  27           H        CYS  27  11.968  -3.970 -10.956
  198    HA   CYS  27           HA       CYS  27  14.367  -4.327  -9.461
  199    HB2  CYS  27          1HB       CYS  27  12.718  -4.439  -7.511
  200    HB3  CYS  27          2HB       CYS  27  12.735  -2.957  -8.460
  201    HG   CYS  27           HG       CYS  27  10.249  -5.069  -7.908
  202    H    ARG  28           H        ARG  28  11.703  -6.451 -10.384
  203    HA   ARG  28           HA       ARG  28  12.742  -8.609  -8.755
  204    HB2  ARG  28          1HB       ARG  28  10.304  -8.362  -9.097
  205    HB3  ARG  28          2HB       ARG  28  10.529  -8.615 -10.822
  206    HG2  ARG  28          1HG       ARG  28   9.712 -10.628  -9.776
  207    HG3  ARG  28          2HG       ARG  28  11.352 -10.880 -10.380
  208    HD2  ARG  28          1HD       ARG  28  12.201 -10.445  -8.085
  209    HD3  ARG  28          2HD       ARG  28  10.531 -10.356  -7.526
  210    HE   ARG  28           HE       ARG  28  11.298 -12.793  -8.914
  211   HH11  ARG  28          1HH1      ARG  28  10.814 -11.175  -5.848
  212   HH12  ARG  28          2HH1      ARG  28  10.692 -12.650  -4.943
  213   HH21  ARG  28          1HH2      ARG  28  11.144 -14.736  -7.741
  214   HH22  ARG  28          2HH2      ARG  28  10.882 -14.686  -6.024
  215    H    ILE  29           H        ILE  29  13.151  -7.391 -11.914
  216    HA   ILE  29           HA       ILE  29  14.609  -7.925 -13.577
  217    HB   ILE  29           HB       ILE  29  15.372 -10.263 -11.821
  218   HG12  ILE  29          1HG1      ILE  29  16.795  -7.647 -12.374
  219   HG13  ILE  29          2HG1      ILE  29  15.898  -8.020 -10.905
  220   HG21  ILE  29          1HG2      ILE  29  16.725  -9.242 -14.319
  221   HG22  ILE  29          2HG2      ILE  29  15.820 -10.746 -14.180
  222   HG23  ILE  29          3HG2      ILE  29  17.317 -10.530 -13.273
  223   HD11  ILE  29          1HD1      ILE  29  18.286  -8.265 -10.568
  224   HD12  ILE  29          2HD1      ILE  29  18.364  -9.444 -11.877
  225   HD13  ILE  29          3HD1      ILE  29  17.469  -9.819 -10.405
  226    H    ARG  30           H        ARG  30  13.055 -10.831 -12.263
  227    HA   ARG  30           HA       ARG  30  11.711 -12.411 -13.186
  228    HB2  ARG  30          1HB       ARG  30  10.438 -10.549 -14.162
  229    HB3  ARG  30          2HB       ARG  30  11.527 -10.520 -15.540
  230    HG2  ARG  30          1HG       ARG  30  10.820 -12.811 -16.108
  231    HG3  ARG  30          2HG       ARG  30   9.667 -12.759 -14.775
  232    HD2  ARG  30          1HD       ARG  30   9.708 -10.912 -17.161
  233    HD3  ARG  30          2HD       ARG  30   8.590 -12.251 -16.911
  234    HE   ARG  30           HE       ARG  30   8.448 -10.495 -14.712
  235   HH11  ARG  30          1HH1      ARG  30   7.605 -10.644 -18.101
  236   HH12  ARG  30          2HH1      ARG  30   6.242  -9.585 -17.941
  237   HH21  ARG  30          1HH2      ARG  30   6.666  -9.081 -14.494
  238   HH22  ARG  30          2HH2      ARG  30   5.720  -8.676 -15.893
  Start of MODEL   17
    1    H1   ASN   1          1H        ASN   1 -17.099 -17.844  -0.045
    2    H2   ASN   1          2H        ASN   1 -17.669 -19.361   0.425
    3    H3   ASN   1          3H        ASN   1 -16.026 -18.999   0.564
    4    HA   ASN   1           HA       ASN   1 -17.106 -18.931   2.701
    5    HB2  ASN   1          1HB       ASN   1 -15.197 -17.442   2.297
    6    HB3  ASN   1          2HB       ASN   1 -16.282 -16.206   1.677
    7   HD21  ASN   1          1HD2      ASN   1 -15.768 -14.682   3.205
    8   HD22  ASN   1          2HD2      ASN   1 -16.210 -14.837   4.869
    9    H    GLY   2           H        GLY   2 -18.164 -15.928   1.071
   10    HA2  GLY   2          1HA       GLY   2 -20.827 -16.421   2.251
   11    HA3  GLY   2          2HA       GLY   2 -20.107 -14.820   2.136
   12    H    ALA   3           H        ALA   3 -22.625 -15.327   1.100
   13    HA   ALA   3           HA       ALA   3 -22.646 -15.963  -1.646
   14    HB1  ALA   3          1HB       ALA   3 -24.839 -14.893  -1.694
   15    HB2  ALA   3          2HB       ALA   3 -24.530 -14.162  -0.120
   16    HB3  ALA   3          3HB       ALA   3 -24.675 -15.912  -0.264
   17    H    ILE   4           H        ILE   4 -22.194 -12.966   0.114
   18    HA   ILE   4           HA       ILE   4 -21.902 -11.384  -2.275
   19    HB   ILE   4           HB       ILE   4 -21.144  -9.591  -0.689
   20   HG12  ILE   4          1HG1      ILE   4 -21.821 -11.692   1.389
   21   HG13  ILE   4          2HG1      ILE   4 -20.222 -11.012   1.076
   22   HG21  ILE   4          1HG2      ILE   4 -23.371  -9.251   0.295
   23   HG22  ILE   4          2HG2      ILE   4 -23.789 -10.914  -0.114
   24   HG23  ILE   4          3HG2      ILE   4 -23.453  -9.749  -1.393
   25   HD11  ILE   4          1HD1      ILE   4 -21.010  -8.825   1.821
   26   HD12  ILE   4          2HD1      ILE   4 -21.229 -10.051   3.069
   27   HD13  ILE   4          3HD1      ILE   4 -22.610  -9.501   2.121
   28    H    CYS   5           H        CYS   5 -19.971 -10.341  -2.910
   29    HA   CYS   5           HA       CYS   5 -17.615 -12.010  -2.452
   30    HB2  CYS   5          1HB       CYS   5 -18.076  -9.866  -4.534
   31    HB3  CYS   5          2HB       CYS   5 -16.730 -10.998  -4.481
   32    HG   CYS   5           HG       CYS   5 -19.058 -13.055  -4.475
   33    H    TRP   6           H        TRP   6 -18.756  -9.718  -0.742
   34    HA   TRP   6           HA       TRP   6 -16.179  -8.420  -0.284
   35    HB2  TRP   6          1HB       TRP   6 -17.282  -6.230   0.005
   36    HB3  TRP   6          2HB       TRP   6 -17.467  -6.834  -1.635
   37    HD1  TRP   6           HD1      TRP   6 -19.948  -7.825  -2.272
   38    HE1  TRP   6           HE1      TRP   6 -22.269  -7.142  -1.402
   39    HE3  TRP   6           HE3      TRP   6 -18.524  -5.364   1.969
   40    HZ2  TRP   6           HZ2      TRP   6 -23.352  -5.731   0.798
   41    HZ3  TRP   6           HZ3      TRP   6 -20.261  -4.370   3.398
   42    HH2  TRP   6           HH2      TRP   6 -22.623  -4.549   2.822
   43    H    GLY   7           H        GLY   7 -16.528  -6.980   1.837
   44    HA2  GLY   7          1HA       GLY   7 -18.369  -8.044   3.750
   45    HA3  GLY   7          2HA       GLY   7 -16.734  -8.646   3.992
   46    HA   PRO   8           HA       PRO   8 -16.984  -4.737   6.434
   47    HB2  PRO   8          1HB       PRO   8 -14.905  -6.148   7.983
   48    HB3  PRO   8          2HB       PRO   8 -16.400  -5.390   8.542
   49    HG2  PRO   8          1HG       PRO   8 -16.129  -8.051   8.478
   50    HG3  PRO   8          2HG       PRO   8 -17.674  -7.266   8.103
   51    HD2  PRO   8          1HD       PRO   8 -15.630  -8.414   6.240
   52    HD3  PRO   8          2HD       PRO   8 -17.402  -8.515   6.169
   53    H    CYS   9           H        CYS   9 -14.427  -6.548   4.972
   54    HA   CYS   9           HA       CYS   9 -12.869  -4.085   4.648
   55    HB2  CYS   9          1HB       CYS   9 -11.774  -6.795   5.427
   56    HB3  CYS   9          2HB       CYS   9 -10.786  -5.414   4.962
   57    HG   CYS   9           HG       CYS   9 -12.454  -4.065   7.212
   58    HA   PRO  10           HA       PRO  10 -13.722  -5.837   0.476
   59    HB2  PRO  10          1HB       PRO  10 -12.809  -3.074  -0.137
   60    HB3  PRO  10          2HB       PRO  10 -14.209  -3.956  -0.757
   61    HG2  PRO  10          1HG       PRO  10 -14.533  -2.031   1.039
   62    HG3  PRO  10          2HG       PRO  10 -15.480  -3.528   1.145
   63    HD2  PRO  10          1HD       PRO  10 -13.077  -2.691   2.727
   64    HD3  PRO  10          2HD       PRO  10 -14.547  -3.524   3.272
   65    H    THR  11           H        THR  11 -12.216  -7.002  -0.494
   66    HA   THR  11           HA       THR  11  -9.458  -6.724   0.082
   67    HB   THR  11           HB       THR  11 -10.745  -8.372  -2.106
   68    HG1  THR  11           HG1      THR  11 -10.275  -8.914   0.660
   69   HG21  THR  11          1HG2      THR  11  -8.309  -8.180  -2.310
   70   HG22  THR  11          2HG2      THR  11  -8.773  -9.812  -1.829
   71   HG23  THR  11          3HG2      THR  11  -8.122  -8.691  -0.633
   72    H    ALA  12           H        ALA  12 -11.514  -5.652  -2.529
   73    HA   ALA  12           HA       ALA  12  -9.486  -4.997  -4.390
   74    HB1  ALA  12          1HB       ALA  12 -12.220  -3.762  -4.076
   75    HB2  ALA  12          2HB       ALA  12 -11.847  -5.207  -5.015
   76    HB3  ALA  12          3HB       ALA  12 -11.181  -3.647  -5.497
   77    H    PHE  13           H        PHE  13 -10.799  -3.356  -1.605
   78    HA   PHE  13           HA       PHE  13  -9.718  -0.790  -2.127
   79    HB2  PHE  13          1HB       PHE  13 -11.514  -1.226  -0.470
   80    HB3  PHE  13          2HB       PHE  13 -10.350  -2.069   0.542
   81    HD1  PHE  13           HD1      PHE  13 -11.452   1.185  -0.706
   82    HD2  PHE  13           HD2      PHE  13  -8.713  -0.865   1.821
   83    HE1  PHE  13           HE1      PHE  13 -10.880   3.306   0.391
   84    HE2  PHE  13           HE2      PHE  13  -8.134   1.253   2.920
   85    HZ   PHE  13           HZ       PHE  13  -9.220   3.345   2.207
   86    H    ARG  14           H        ARG  14  -8.512  -3.679  -0.551
   87    HA   ARG  14           HA       ARG  14  -6.058  -2.453   0.323
   88    HB2  ARG  14          1HB       ARG  14  -6.868  -5.364   0.181
   89    HB3  ARG  14          2HB       ARG  14  -5.419  -4.754   0.967
   90    HG2  ARG  14          1HG       ARG  14  -6.816  -3.488   2.536
   91    HG3  ARG  14          2HG       ARG  14  -8.260  -4.130   1.755
   92    HD2  ARG  14          1HD       ARG  14  -7.575  -6.405   2.363
   93    HD3  ARG  14          2HD       ARG  14  -6.130  -5.762   3.143
   94    HE   ARG  14           HE       ARG  14  -8.495  -4.576   4.195
   95   HH11  ARG  14          1HH1      ARG  14  -6.542  -7.476   4.310
   96   HH12  ARG  14          2HH1      ARG  14  -7.057  -7.917   5.904
   97   HH21  ARG  14          1HH2      ARG  14  -9.169  -5.151   6.308
   98   HH22  ARG  14          2HH2      ARG  14  -8.546  -6.590   7.046
   99    H    GLN  15           H        GLN  15  -7.215  -4.114  -2.462
  100    HA   GLN  15           HA       GLN  15  -4.783  -4.900  -3.633
  101    HB2  GLN  15          1HB       GLN  15  -6.895  -5.755  -4.447
  102    HB3  GLN  15          2HB       GLN  15  -7.433  -4.141  -4.873
  103    HG2  GLN  15          1HG       GLN  15  -5.574  -4.035  -6.525
  104    HG3  GLN  15          2HG       GLN  15  -5.234  -5.726  -6.170
  105   HE21  GLN  15          1HE2      GLN  15  -8.034  -6.420  -5.834
  106   HE22  GLN  15          2HE2      GLN  15  -8.725  -6.442  -7.415
  107    H    ILE  16           H        ILE  16  -6.442  -1.854  -3.447
  108    HA   ILE  16           HA       ILE  16  -5.043  -0.514  -5.515
  109    HB   ILE  16           HB       ILE  16  -6.382   0.638  -3.060
  110   HG12  ILE  16          1HG1      ILE  16  -7.958  -0.647  -4.419
  111   HG13  ILE  16          2HG1      ILE  16  -8.286   1.076  -4.581
  112   HG21  ILE  16          1HG2      ILE  16  -6.474   2.734  -4.312
  113   HG22  ILE  16          2HG2      ILE  16  -5.587   1.986  -5.638
  114   HG23  ILE  16          3HG2      ILE  16  -4.808   2.206  -4.072
  115   HD11  ILE  16          1HD1      ILE  16  -8.484  -0.029  -6.715
  116   HD12  ILE  16          2HD1      ILE  16  -6.843  -0.658  -6.575
  117   HD13  ILE  16          3HD1      ILE  16  -7.111   1.077  -6.735
  118    H    GLY  17           H        GLY  17  -4.417  -1.090  -2.115
  119    HA2  GLY  17          1HA       GLY  17  -2.089   0.637  -2.080
  120    HA3  GLY  17          2HA       GLY  17  -2.646  -0.396  -0.770
  121    H    ASN  18           H        ASN  18  -1.029  -0.420  -3.906
  122    HA   ASN  18           HA       ASN  18  -0.259  -3.165  -3.680
  123    HB2  ASN  18          1HB       ASN  18   0.683  -1.016  -5.587
  124    HB3  ASN  18          2HB       ASN  18   1.098  -2.719  -5.716
  125   HD21  ASN  18          1HD2      ASN  18  -0.544  -4.218  -6.250
  126   HD22  ASN  18          2HD2      ASN  18  -2.000  -3.703  -7.023
  127    H    CYS  19           H        CYS  19   1.607  -0.112  -3.560
  128    HA   CYS  19           HA       CYS  19   3.554  -1.461  -1.854
  129    HB2  CYS  19          1HB       CYS  19   4.302  -1.724  -4.226
  130    HB3  CYS  19          2HB       CYS  19   4.369   0.028  -4.355
  131    HG   CYS  19           HG       CYS  19   6.504  -2.097  -2.848
  132    H    GLY  20           H        GLY  20   4.868  -0.013  -0.639
  133    HA2  GLY  20          1HA       GLY  20   5.604   2.209  -0.113
  134    HA3  GLY  20          2HA       GLY  20   4.117   2.823  -0.819
  135    H    ARG  21           H        ARG  21   2.318   1.052   0.476
  136    HA   ARG  21           HA       ARG  21   2.067   2.520   2.921
  137    HB2  ARG  21          1HB       ARG  21  -0.040   1.360   3.233
  138    HB3  ARG  21          2HB       ARG  21   0.091   1.944   1.582
  139    HG2  ARG  21          1HG       ARG  21   0.551  -0.250   0.769
  140    HG3  ARG  21          2HG       ARG  21   0.688  -0.884   2.411
  141    HD2  ARG  21          1HD       ARG  21  -1.674  -0.352   2.801
  142    HD3  ARG  21          2HD       ARG  21  -1.806   0.264   1.156
  143    HE   ARG  21           HE       ARG  21  -1.075  -2.131   0.548
  144   HH11  ARG  21          1HH1      ARG  21  -3.132  -1.267   3.249
  145   HH12  ARG  21          2HH1      ARG  21  -3.971  -2.784   3.261
  146   HH21  ARG  21          1HH2      ARG  21  -2.178  -4.117   0.547
  147   HH22  ARG  21          2HH2      ARG  21  -3.419  -4.420   1.717
  148    H    PHE  22           H        PHE  22   3.682  -0.287   2.107
  149    HA   PHE  22           HA       PHE  22   3.336  -1.590   4.677
  150    HB2  PHE  22          1HB       PHE  22   4.587  -3.391   3.788
  151    HB3  PHE  22          2HB       PHE  22   3.585  -2.831   2.461
  152    HD1  PHE  22           HD1      PHE  22   6.905  -3.447   3.632
  153    HD2  PHE  22           HD2      PHE  22   4.641  -1.386   0.681
  154    HE1  PHE  22           HE1      PHE  22   8.919  -3.222   2.251
  155    HE2  PHE  22           HE2      PHE  22   6.654  -1.151  -0.705
  156    HZ   PHE  22           HZ       PHE  22   8.801  -2.070   0.078
  157    H    ARG  23           H        ARG  23   5.234  -2.126   6.001
  158    HA   ARG  23           HA       ARG  23   7.062   0.162   6.059
  159    HB2  ARG  23          1HB       ARG  23   6.395  -1.841   8.220
  160    HB3  ARG  23          2HB       ARG  23   7.467  -0.463   8.407
  161    HG2  ARG  23          1HG       ARG  23   4.524  -0.297   7.774
  162    HG3  ARG  23          2HG       ARG  23   5.238  -0.082   9.370
  163    HD2  ARG  23          1HD       ARG  23   4.844   2.091   8.487
  164    HD3  ARG  23          2HD       ARG  23   6.581   1.813   8.404
  165    HE   ARG  23           HE       ARG  23   5.295   1.096   5.967
  166   HH11  ARG  23          1HH1      ARG  23   6.430   3.843   7.808
  167   HH12  ARG  23          2HH1      ARG  23   6.668   4.841   6.410
  168   HH21  ARG  23          1HH2      ARG  23   5.605   2.407   4.126
  169   HH22  ARG  23          2HH2      ARG  23   6.195   4.027   4.318
  170    H    VAL  24           H        VAL  24   9.246  -0.087   6.043
  171    HA   VAL  24           HA       VAL  24  10.201  -2.432   4.722
  172    HB   VAL  24           HB       VAL  24  12.369  -1.339   4.654
  173   HG11  VAL  24          1HG1      VAL  24  10.103   0.559   4.068
  174   HG12  VAL  24          2HG1      VAL  24  10.733  -0.686   2.992
  175   HG13  VAL  24          3HG1      VAL  24  11.740   0.693   3.428
  176   HG21  VAL  24          1HG2      VAL  24  12.415  -0.366   6.883
  177   HG22  VAL  24          2HG2      VAL  24  11.144   0.768   6.430
  178   HG23  VAL  24          3HG2      VAL  24  12.727   0.867   5.663
  179    H    ARG  25           H        ARG  25   9.616  -1.922   7.908
  180    HA   ARG  25           HA       ARG  25  11.971  -3.165   9.016
  181    HB2  ARG  25          1HB       ARG  25   9.312  -2.389  10.213
  182    HB3  ARG  25          2HB       ARG  25  10.584  -3.170  11.135
  183    HG2  ARG  25          1HG       ARG  25  10.740  -0.478   9.794
  184    HG3  ARG  25          2HG       ARG  25  10.599  -0.794  11.525
  185    HD2  ARG  25          1HD       ARG  25  12.769  -2.070  11.347
  186    HD3  ARG  25          2HD       ARG  25  12.924  -1.425   9.715
  187    HE   ARG  25           HE       ARG  25  12.563   0.483  11.896
  188   HH11  ARG  25          1HH1      ARG  25  14.688  -1.016   9.554
  189   HH12  ARG  25          2HH1      ARG  25  15.945   0.164   9.748
  190   HH21  ARG  25          1HH2      ARG  25  14.221   2.023  12.177
  191   HH22  ARG  25          2HH2      ARG  25  15.685   1.883  11.254
  192    H    CYS  26           H        CYS  26   9.227  -4.289   7.455
  193    HA   CYS  26           HA       CYS  26   8.541  -6.551   8.993
  194    HB2  CYS  26          1HB       CYS  26   7.439  -7.340   6.898
  195    HB3  CYS  26          2HB       CYS  26   7.006  -5.693   7.347
  196    HG   CYS  26           HG       CYS  26   7.975  -4.470   5.266
  197    H    CYS  27           H        CYS  27  11.206  -5.942   6.948
  198    HA   CYS  27           HA       CYS  27  11.706  -8.511   5.926
  199    HB2  CYS  27          1HB       CYS  27  14.039  -7.662   5.614
  200    HB3  CYS  27          2HB       CYS  27  12.793  -6.606   4.956
  201    HG   CYS  27           HG       CYS  27  14.793  -6.110   7.659
  202    H    ARG  28           H        ARG  28  12.270  -7.143   9.065
  203    HA   ARG  28           HA       ARG  28  14.160  -9.203   9.813
  204    HB2  ARG  28          1HB       ARG  28  14.409  -6.933  10.733
  205    HB3  ARG  28          2HB       ARG  28  12.827  -7.061  11.491
  206    HG2  ARG  28          1HG       ARG  28  13.615  -8.845  12.915
  207    HG3  ARG  28          2HG       ARG  28  15.186  -8.823  12.115
  208    HD2  ARG  28          1HD       ARG  28  15.605  -6.584  12.925
  209    HD3  ARG  28          2HD       ARG  28  13.990  -6.506  13.629
  210    HE   ARG  28           HE       ARG  28  14.863  -8.556  14.959
  211   HH11  ARG  28          1HH1      ARG  28  16.715  -5.724  14.066
  212   HH12  ARG  28          2HH1      ARG  28  17.771  -5.829  15.434
  213   HH21  ARG  28          1HH2      ARG  28  16.239  -8.695  16.761
  214   HH22  ARG  28          2HH2      ARG  28  17.499  -7.523  16.976
  215    H    ILE  29           H        ILE  29  10.806  -8.827   9.689
  216    HA   ILE  29           HA       ILE  29  10.305 -10.817  11.772
  217    HB   ILE  29           HB       ILE  29   8.336  -9.289  10.053
  218   HG12  ILE  29          1HG1      ILE  29   9.150  -8.902  12.947
  219   HG13  ILE  29          2HG1      ILE  29   9.574  -7.840  11.607
  220   HG21  ILE  29          1HG2      ILE  29   7.857 -11.047  12.462
  221   HG22  ILE  29          2HG2      ILE  29   7.450 -11.444  10.793
  222   HG23  ILE  29          3HG2      ILE  29   6.634 -10.108  11.605
  223   HD11  ILE  29          1HD1      ILE  29   7.756  -6.918  12.923
  224   HD12  ILE  29          2HD1      ILE  29   6.792  -8.367  12.627
  225   HD13  ILE  29          3HD1      ILE  29   7.217  -7.300  11.287
  226    H    ARG  30           H        ARG  30   9.778 -10.310   8.301
  227    HA   ARG  30           HA       ARG  30   9.486 -13.230   8.017
  228    HB2  ARG  30          1HB       ARG  30   8.165 -11.045   6.399
  229    HB3  ARG  30          2HB       ARG  30   8.108 -12.755   5.994
  230    HG2  ARG  30          1HG       ARG  30   6.952 -13.213   8.101
  231    HG3  ARG  30          2HG       ARG  30   7.011 -11.493   8.495
  232    HD2  ARG  30          1HD       ARG  30   4.833 -12.144   7.568
  233    HD3  ARG  30          2HD       ARG  30   5.662 -10.968   6.552
  234    HE   ARG  30           HE       ARG  30   6.267 -13.565   5.646
  235   HH11  ARG  30          1HH1      ARG  30   3.576 -11.337   5.803
  236   HH12  ARG  30          2HH1      ARG  30   2.819 -11.947   4.365
  237   HH21  ARG  30          1HH2      ARG  30   5.277 -14.374   3.752
  238   HH22  ARG  30          2HH2      ARG  30   3.802 -13.659   3.186
  Start of MODEL   18
    1    H1   ASN   1          1H        ASN   1 -26.812  -7.558   6.319
    2    H2   ASN   1          2H        ASN   1 -26.270  -6.153   5.553
    3    H3   ASN   1          3H        ASN   1 -27.509  -6.065   6.702
    4    HA   ASN   1           HA       ASN   1 -25.995  -6.806   8.420
    5    HB2  ASN   1          1HB       ASN   1 -23.600  -6.931   7.972
    6    HB3  ASN   1          2HB       ASN   1 -24.468  -8.077   6.960
    7   HD21  ASN   1          1HD2      ASN   1 -21.825  -6.840   6.621
    8   HD22  ASN   1          2HD2      ASN   1 -21.872  -6.058   5.075
    9    H    GLY   2           H        GLY   2 -25.807  -4.368   5.897
   10    HA2  GLY   2          1HA       GLY   2 -26.158  -2.212   7.571
   11    HA3  GLY   2          2HA       GLY   2 -24.420  -2.445   7.492
   12    H    ALA   3           H        ALA   3 -24.987  -0.123   6.622
   13    HA   ALA   3           HA       ALA   3 -25.569  -0.215   3.748
   14    HB1  ALA   3          1HB       ALA   3 -25.851   2.211   3.920
   15    HB2  ALA   3          2HB       ALA   3 -25.410   2.141   5.626
   16    HB3  ALA   3          3HB       ALA   3 -26.887   1.357   5.063
   17    H    ILE   4           H        ILE   4 -23.052  -1.086   4.930
   18    HA   ILE   4           HA       ILE   4 -21.131   0.950   4.184
   19    HB   ILE   4           HB       ILE   4 -19.448  -0.851   4.836
   20   HG12  ILE   4          1HG1      ILE   4 -21.980  -2.187   5.837
   21   HG13  ILE   4          2HG1      ILE   4 -20.879  -2.815   4.610
   22   HG21  ILE   4          1HG2      ILE   4 -20.013   1.006   6.288
   23   HG22  ILE   4          2HG2      ILE   4 -19.804  -0.463   7.239
   24   HG23  ILE   4          3HG2      ILE   4 -21.425   0.137   6.890
   25   HD11  ILE   4          1HD1      ILE   4 -20.583  -3.926   6.757
   26   HD12  ILE   4          2HD1      ILE   4 -20.210  -2.377   7.514
   27   HD13  ILE   4          3HD1      ILE   4 -19.132  -3.044   6.287
   28    H    CYS   5           H        CYS   5 -21.033   1.210   2.027
   29    HA   CYS   5           HA       CYS   5 -21.351  -0.960   0.195
   30    HB2  CYS   5          1HB       CYS   5 -20.532   1.915  -0.218
   31    HB3  CYS   5          2HB       CYS   5 -20.768   0.766  -1.533
   32    HG   CYS   5           HG       CYS   5 -23.489   0.304  -0.257
   33    H    TRP   6           H        TRP   6 -18.631   0.474   1.774
   34    HA   TRP   6           HA       TRP   6 -16.723  -0.646  -0.075
   35    HB2  TRP   6          1HB       TRP   6 -16.275   0.459   2.710
   36    HB3  TRP   6          2HB       TRP   6 -15.017   0.047   1.558
   37    HD1  TRP   6           HD1      TRP   6 -16.982   2.918   2.719
   38    HE1  TRP   6           HE1      TRP   6 -16.746   4.910   1.112
   39    HE3  TRP   6           HE3      TRP   6 -14.860   0.507  -1.262
   40    HZ2  TRP   6           HZ2      TRP   6 -15.790   5.394  -1.498
   41    HZ3  TRP   6           HZ3      TRP   6 -14.318   1.813  -3.271
   42    HH2  TRP   6           HH2      TRP   6 -14.773   4.203  -3.386
   43    H    GLY   7           H        GLY   7 -18.460  -1.652   2.711
   44    HA2  GLY   7          1HA       GLY   7 -18.817  -3.923   3.229
   45    HA3  GLY   7          2HA       GLY   7 -17.319  -4.325   2.408
   46    HA   PRO   8           HA       PRO   8 -16.719  -4.085   7.136
   47    HB2  PRO   8          1HB       PRO   8 -16.494  -7.018   6.943
   48    HB3  PRO   8          2HB       PRO   8 -17.384  -6.036   8.111
   49    HG2  PRO   8          1HG       PRO   8 -18.644  -7.466   6.225
   50    HG3  PRO   8          2HG       PRO   8 -19.252  -5.891   6.769
   51    HD2  PRO   8          1HD       PRO   8 -17.727  -6.578   4.283
   52    HD3  PRO   8          2HD       PRO   8 -19.103  -5.479   4.493
   53    H    CYS   9           H        CYS   9 -15.400  -6.353   4.737
   54    HA   CYS   9           HA       CYS   9 -12.728  -5.313   5.316
   55    HB2  CYS   9          1HB       CYS   9 -13.410  -8.257   5.163
   56    HB3  CYS   9          2HB       CYS   9 -11.784  -7.592   5.287
   57    HG   CYS   9           HG       CYS   9 -13.394  -6.284   7.748
   58    HA   PRO  10           HA       PRO  10 -13.608  -5.157   0.816
   59    HB2  PRO  10          1HB       PRO  10 -11.376  -3.223   0.998
   60    HB3  PRO  10          2HB       PRO  10 -12.970  -3.033   0.259
   61    HG2  PRO  10          1HG       PRO  10 -12.359  -1.820   2.557
   62    HG3  PRO  10          2HG       PRO  10 -13.978  -2.485   2.269
   63    HD2  PRO  10          1HD       PRO  10 -11.727  -3.609   3.892
   64    HD3  PRO  10          2HD       PRO  10 -13.466  -3.588   4.243
   65    H    THR  11           H        THR  11 -12.552  -6.120  -0.858
   66    HA   THR  11           HA       THR  11  -9.871  -7.190  -0.288
   67    HB   THR  11           HB       THR  11 -11.644  -8.907  -0.599
   68    HG1  THR  11           HG1      THR  11  -9.860  -9.884  -1.219
   69   HG21  THR  11          1HG2      THR  11 -13.075  -7.753  -2.185
   70   HG22  THR  11          2HG2      THR  11 -12.544  -9.290  -2.864
   71   HG23  THR  11          3HG2      THR  11 -11.797  -7.785  -3.398
   72    H    ALA  12           H        ALA  12 -11.208  -4.701  -1.757
   73    HA   ALA  12           HA       ALA  12 -10.002  -4.837  -4.364
   74    HB1  ALA  12          1HB       ALA  12 -12.101  -3.651  -4.020
   75    HB2  ALA  12          2HB       ALA  12 -10.857  -2.576  -4.653
   76    HB3  ALA  12          3HB       ALA  12 -11.288  -2.516  -2.945
   77    H    PHE  13           H        PHE  13  -8.465  -4.693  -1.612
   78    HA   PHE  13           HA       PHE  13  -6.913  -2.310  -1.866
   79    HB2  PHE  13          1HB       PHE  13  -6.564  -4.790  -0.194
   80    HB3  PHE  13          2HB       PHE  13  -5.408  -3.467  -0.180
   81    HD1  PHE  13           HD1      PHE  13  -6.432  -1.101   0.264
   82    HD2  PHE  13           HD2      PHE  13  -8.301  -4.773   1.321
   83    HE1  PHE  13           HE1      PHE  13  -7.787   0.073   1.942
   84    HE2  PHE  13           HE2      PHE  13  -9.657  -3.602   2.999
   85    HZ   PHE  13           HZ       PHE  13  -9.404  -1.176   3.313
   86    H    ARG  14           H        ARG  14  -6.660  -5.570  -3.068
   87    HA   ARG  14           HA       ARG  14  -3.973  -5.421  -3.962
   88    HB2  ARG  14          1HB       ARG  14  -5.360  -7.524  -3.758
   89    HB3  ARG  14          2HB       ARG  14  -6.212  -7.026  -5.210
   90    HG2  ARG  14          1HG       ARG  14  -4.529  -8.651  -5.758
   91    HG3  ARG  14          2HG       ARG  14  -4.105  -7.087  -6.458
   92    HD2  ARG  14          1HD       ARG  14  -2.518  -6.679  -4.674
   93    HD3  ARG  14          2HD       ARG  14  -2.997  -8.172  -3.868
   94    HE   ARG  14           HE       ARG  14  -2.117  -8.745  -6.488
   95   HH11  ARG  14          1HH1      ARG  14  -0.902  -7.728  -3.368
   96   HH12  ARG  14          2HH1      ARG  14   0.663  -8.440  -3.598
   97   HH21  ARG  14          1HH2      ARG  14  -0.056  -9.686  -6.801
   98   HH22  ARG  14          2HH2      ARG  14   1.145  -9.553  -5.556
   99    H    GLN  15           H        GLN  15  -7.010  -4.299  -5.188
  100    HA   GLN  15           HA       GLN  15  -6.161  -3.645  -7.826
  101    HB2  GLN  15          1HB       GLN  15  -8.537  -3.979  -7.135
  102    HB3  GLN  15          2HB       GLN  15  -8.445  -2.490  -6.210
  103    HG2  GLN  15          1HG       GLN  15  -7.977  -1.266  -8.299
  104    HG3  GLN  15          2HG       GLN  15  -8.179  -2.770  -9.191
  105   HE21  GLN  15          1HE2      GLN  15 -10.114  -1.930  -6.411
  106   HE22  GLN  15          2HE2      GLN  15 -11.594  -1.690  -7.270
  107    H    ILE  16           H        ILE  16  -5.661  -2.275  -4.766
  108    HA   ILE  16           HA       ILE  16  -5.005   0.371  -5.825
  109    HB   ILE  16           HB       ILE  16  -4.920  -0.621  -2.965
  110   HG12  ILE  16          1HG1      ILE  16  -7.042   1.044  -4.351
  111   HG13  ILE  16          2HG1      ILE  16  -7.211  -0.660  -3.937
  112   HG21  ILE  16          1HG2      ILE  16  -3.461   1.289  -3.365
  113   HG22  ILE  16          2HG2      ILE  16  -4.847   1.761  -2.383
  114   HG23  ILE  16          3HG2      ILE  16  -4.799   2.176  -4.095
  115   HD11  ILE  16          1HD1      ILE  16  -7.016  -0.111  -1.573
  116   HD12  ILE  16          2HD1      ILE  16  -8.347   0.762  -2.330
  117   HD13  ILE  16          3HD1      ILE  16  -6.832   1.594  -1.980
  118    H    GLY  17           H        GLY  17  -3.563  -2.467  -4.339
  119    HA2  GLY  17          1HA       GLY  17  -0.947  -1.289  -4.105
  120    HA3  GLY  17          2HA       GLY  17  -1.379  -2.956  -3.765
  121    H    ASN  18           H        ASN  18  -0.954  -0.709  -6.465
  122    HA   ASN  18           HA       ASN  18   0.926  -2.420  -7.746
  123    HB2  ASN  18          1HB       ASN  18  -0.314  -2.840  -9.815
  124    HB3  ASN  18          2HB       ASN  18  -1.145  -3.573  -8.451
  125   HD21  ASN  18          1HD2      ASN  18  -3.103  -2.733  -7.770
  126   HD22  ASN  18          2HD2      ASN  18  -4.028  -1.641  -8.741
  127    H    CYS  19           H        CYS  19   1.494  -1.421  -9.972
  128    HA   CYS  19           HA       CYS  19   1.344   1.504  -9.666
  129    HB2  CYS  19          1HB       CYS  19   3.645  -0.125 -10.764
  130    HB3  CYS  19          2HB       CYS  19   3.609   1.623 -10.567
  131    HG   CYS  19           HG       CYS  19   2.971   0.841  -7.639
  132    H    GLY  20           H        GLY  20  -0.649   0.875 -11.049
  133    HA2  GLY  20          1HA       GLY  20  -1.694   1.192 -13.068
  134    HA3  GLY  20          2HA       GLY  20  -0.166   1.814 -13.675
  135    H    ARG  21           H        ARG  21  -1.135  -1.383 -12.475
  136    HA   ARG  21           HA       ARG  21   0.236  -2.661 -14.660
  137    HB2  ARG  21          1HB       ARG  21   0.289  -3.696 -12.466
  138    HB3  ARG  21          2HB       ARG  21  -1.464  -3.785 -12.426
  139    HG2  ARG  21          1HG       ARG  21  -1.480  -5.408 -14.191
  140    HG3  ARG  21          2HG       ARG  21   0.260  -5.230 -14.424
  141    HD2  ARG  21          1HD       ARG  21  -0.321  -7.251 -13.141
  142    HD3  ARG  21          2HD       ARG  21   0.685  -6.129 -12.226
  143    HE   ARG  21           HE       ARG  21  -2.235  -6.155 -11.855
  144   HH11  ARG  21          1HH1      ARG  21   0.999  -6.567 -10.589
  145   HH12  ARG  21          2HH1      ARG  21   0.487  -6.604  -8.933
  146   HH21  ARG  21          1HH2      ARG  21  -2.920  -6.217  -9.662
  147   HH22  ARG  21          2HH2      ARG  21  -1.733  -6.414  -8.409
  148    H    PHE  22           H        PHE  22  -3.002  -1.735 -13.892
  149    HA   PHE  22           HA       PHE  22  -3.902  -2.833 -16.455
  150    HB2  PHE  22          1HB       PHE  22  -6.097  -3.377 -15.382
  151    HB3  PHE  22          2HB       PHE  22  -4.763  -4.362 -14.800
  152    HD1  PHE  22           HD1      PHE  22  -3.912  -4.098 -12.546
  153    HD2  PHE  22           HD2      PHE  22  -7.191  -1.785 -13.956
  154    HE1  PHE  22           HE1      PHE  22  -4.455  -3.467 -10.237
  155    HE2  PHE  22           HE2      PHE  22  -7.738  -1.149 -11.648
  156    HZ   PHE  22           HZ       PHE  22  -6.367  -1.987  -9.784
  157    H    ARG  23           H        ARG  23  -6.160  -1.829 -16.961
  158    HA   ARG  23           HA       ARG  23  -5.798   0.934 -17.176
  159    HB2  ARG  23          1HB       ARG  23  -8.003   1.031 -18.177
  160    HB3  ARG  23          2HB       ARG  23  -7.121  -0.349 -18.799
  161    HG2  ARG  23          1HG       ARG  23  -9.232  -0.493 -16.655
  162    HG3  ARG  23          2HG       ARG  23  -9.521  -0.781 -18.369
  163    HD2  ARG  23          1HD       ARG  23  -7.740  -2.381 -16.531
  164    HD3  ARG  23          2HD       ARG  23  -9.279  -2.891 -17.219
  165    HE   ARG  23           HE       ARG  23  -7.622  -2.258 -19.356
  166   HH11  ARG  23          1HH1      ARG  23  -7.718  -4.592 -16.742
  167   HH12  ARG  23          2HH1      ARG  23  -6.810  -5.790 -17.609
  168   HH21  ARG  23          1HH2      ARG  23  -6.458  -3.834 -20.505
  169   HH22  ARG  23          2HH2      ARG  23  -6.087  -5.355 -19.756
  170    H    VAL  24           H        VAL  24  -5.920   2.398 -15.683
  171    HA   VAL  24           HA       VAL  24  -7.441   1.924 -13.256
  172    HB   VAL  24           HB       VAL  24  -5.690   4.282 -13.977
  173   HG11  VAL  24          1HG1      VAL  24  -5.605   4.657 -11.546
  174   HG12  VAL  24          2HG1      VAL  24  -6.755   3.340 -11.317
  175   HG13  VAL  24          3HG1      VAL  24  -7.243   4.795 -12.187
  176   HG21  VAL  24          1HG2      VAL  24  -4.416   2.202 -14.014
  177   HG22  VAL  24          2HG2      VAL  24  -5.010   1.799 -12.404
  178   HG23  VAL  24          3HG2      VAL  24  -3.959   3.196 -12.631
  179    H    ARG  25           H        ARG  25  -7.733   3.607 -16.215
  180    HA   ARG  25           HA       ARG  25  -9.336   5.773 -15.622
  181    HB2  ARG  25          1HB       ARG  25  -9.506   3.920 -18.002
  182    HB3  ARG  25          2HB       ARG  25 -10.268   5.501 -17.912
  183    HG2  ARG  25          1HG       ARG  25  -8.091   6.565 -17.722
  184    HG3  ARG  25          2HG       ARG  25  -7.307   4.984 -17.750
  185    HD2  ARG  25          1HD       ARG  25  -8.263   4.594 -19.995
  186    HD3  ARG  25          2HD       ARG  25  -8.940   6.221 -19.963
  187    HE   ARG  25           HE       ARG  25  -6.331   6.682 -19.513
  188   HH11  ARG  25          1HH1      ARG  25  -7.993   4.781 -21.934
  189   HH12  ARG  25          2HH1      ARG  25  -6.763   4.998 -23.137
  190   HH21  ARG  25          1HH2      ARG  25  -4.698   6.956 -21.084
  191   HH22  ARG  25          2HH2      ARG  25  -4.885   6.241 -22.653
  192    H    CYS  26           H        CYS  26 -10.261   2.392 -15.969
  193    HA   CYS  26           HA       CYS  26 -13.053   2.825 -15.746
  194    HB2  CYS  26          1HB       CYS  26 -11.447   0.341 -15.112
  195    HB3  CYS  26          2HB       CYS  26 -13.189   0.409 -15.353
  196    HG   CYS  26           HG       CYS  26 -12.643   1.541 -18.051
  197    H    CYS  27           H        CYS  27 -10.483   2.243 -13.424
  198    HA   CYS  27           HA       CYS  27 -12.255   1.898 -11.191
  199    HB2  CYS  27          1HB       CYS  27  -9.288   2.487 -11.179
  200    HB3  CYS  27          2HB       CYS  27 -10.235   1.801  -9.861
  201    HG   CYS  27           HG       CYS  27 -10.075  -0.670 -10.577
  202    H    ARG  28           H        ARG  28 -11.353   4.562 -12.952
  203    HA   ARG  28           HA       ARG  28 -11.334   6.429 -10.736
  204    HB2  ARG  28          1HB       ARG  28 -11.315   6.881 -13.728
  205    HB3  ARG  28          2HB       ARG  28 -11.205   8.162 -12.529
  206    HG2  ARG  28          1HG       ARG  28  -9.101   7.276 -11.725
  207    HG3  ARG  28          2HG       ARG  28  -9.224   5.914 -12.840
  208    HD2  ARG  28          1HD       ARG  28  -9.207   7.522 -14.724
  209    HD3  ARG  28          2HD       ARG  28  -8.957   8.828 -13.572
  210    HE   ARG  28           HE       ARG  28  -6.911   7.201 -13.006
  211   HH11  ARG  28          1HH1      ARG  28  -8.119   8.399 -16.069
  212   HH12  ARG  28          2HH1      ARG  28  -6.554   8.403 -16.823
  213   HH21  ARG  28          1HH2      ARG  28  -4.858   7.210 -13.983
  214   HH22  ARG  28          2HH2      ARG  28  -4.692   7.739 -15.630
  215    H    ILE  29           H        ILE  29 -13.541   5.206 -13.139
  216    HA   ILE  29           HA       ILE  29 -15.607   7.081 -12.252
  217    HB   ILE  29           HB       ILE  29 -15.391   6.943 -14.654
  218   HG12  ILE  29          1HG1      ILE  29 -17.888   5.483 -13.752
  219   HG13  ILE  29          2HG1      ILE  29 -17.658   7.229 -13.713
  220   HG21  ILE  29          1HG2      ILE  29 -14.384   4.759 -14.882
  221   HG22  ILE  29          2HG2      ILE  29 -15.832   4.853 -15.886
  222   HG23  ILE  29          3HG2      ILE  29 -15.875   3.982 -14.353
  223   HD11  ILE  29          1HD1      ILE  29 -17.702   5.504 -16.180
  224   HD12  ILE  29          2HD1      ILE  29 -17.459   7.251 -16.148
  225   HD13  ILE  29          3HD1      ILE  29 -18.995   6.564 -15.620
  226    H    ARG  30           H        ARG  30 -14.876   3.647 -12.454
  227    HA   ARG  30           HA       ARG  30 -15.688   1.816 -11.395
  228    HB2  ARG  30          1HB       ARG  30 -16.774   3.809  -9.404
  229    HB3  ARG  30          2HB       ARG  30 -16.552   2.087  -9.132
  230    HG2  ARG  30          1HG       ARG  30 -14.181   2.302  -9.247
  231    HG3  ARG  30          2HG       ARG  30 -14.307   3.988  -9.755
  232    HD2  ARG  30          1HD       ARG  30 -15.099   2.824  -7.090
  233    HD3  ARG  30          2HD       ARG  30 -13.748   3.911  -7.417
  234    HE   ARG  30           HE       ARG  30 -16.314   4.987  -8.164
  235   HH11  ARG  30          1HH1      ARG  30 -13.994   4.619  -5.576
  236   HH12  ARG  30          2HH1      ARG  30 -14.602   5.972  -4.674
  237   HH21  ARG  30          1HH2      ARG  30 -17.119   6.757  -6.991
  238   HH22  ARG  30          2HH2      ARG  30 -16.382   7.195  -5.481
  Start of MODEL   19
    1    H1   ASN   1          1H        ASN   1 -29.457  -9.807   3.796
    2    H2   ASN   1          2H        ASN   1 -27.997  -9.138   3.268
    3    H3   ASN   1          3H        ASN   1 -28.029 -10.708   3.896
    4    HA   ASN   1           HA       ASN   1 -29.371 -11.468   2.069
    5    HB2  ASN   1          1HB       ASN   1 -29.085  -8.618   1.095
    6    HB3  ASN   1          2HB       ASN   1 -29.714  -9.939   0.125
    7   HD21  ASN   1          1HD2      ASN   1 -31.692  -8.856  -0.123
    8   HD22  ASN   1          2HD2      ASN   1 -32.841  -8.768   1.167
    9    H    GLY   2           H        GLY   2 -26.437  -9.903   2.657
   10    HA2  GLY   2          1HA       GLY   2 -24.541 -11.381   1.857
   11    HA3  GLY   2          2HA       GLY   2 -25.227 -11.130   0.258
   12    H    ALA   3           H        ALA   3 -24.949  -8.732   2.815
   13    HA   ALA   3           HA       ALA   3 -23.737  -6.843   1.055
   14    HB1  ALA   3          1HB       ALA   3 -23.650  -5.396   3.042
   15    HB2  ALA   3          2HB       ALA   3 -24.168  -6.755   4.035
   16    HB3  ALA   3          3HB       ALA   3 -25.243  -6.106   2.798
   17    H    ILE   4           H        ILE   4 -22.582  -9.087   3.450
   18    HA   ILE   4           HA       ILE   4 -19.923  -7.936   3.491
   19    HB   ILE   4           HB       ILE   4 -20.943 -10.511   4.716
   20   HG12  ILE   4          1HG1      ILE   4 -22.007  -8.493   5.662
   21   HG13  ILE   4          2HG1      ILE   4 -20.952  -9.282   6.835
   22   HG21  ILE   4          1HG2      ILE   4 -18.339  -9.046   5.167
   23   HG22  ILE   4          2HG2      ILE   4 -18.536 -10.580   4.320
   24   HG23  ILE   4          3HG2      ILE   4 -18.883 -10.475   6.045
   25   HD11  ILE   4          1HD1      ILE   4 -19.219  -7.609   6.372
   26   HD12  ILE   4          2HD1      ILE   4 -20.717  -6.878   6.945
   27   HD13  ILE   4          3HD1      ILE   4 -20.305  -6.815   5.231
   28    H    CYS   5           H        CYS   5 -19.319  -8.098   1.328
   29    HA   CYS   5           HA       CYS   5 -19.258 -10.576  -0.075
   30    HB2  CYS   5          1HB       CYS   5 -17.561  -8.135  -0.613
   31    HB3  CYS   5          2HB       CYS   5 -18.016  -9.396  -1.756
   32    HG   CYS   5           HG       CYS   5 -19.376  -6.912  -2.233
   33    H    TRP   6           H        TRP   6 -17.006  -8.756   1.890
   34    HA   TRP   6           HA       TRP   6 -15.362 -11.157   2.153
   35    HB2  TRP   6          1HB       TRP   6 -14.387  -9.542   0.431
   36    HB3  TRP   6          2HB       TRP   6 -14.123  -8.432   1.768
   37    HD1  TRP   6           HD1      TRP   6 -12.955 -11.832   0.448
   38    HE1  TRP   6           HE1      TRP   6 -10.668 -12.379   1.496
   39    HE3  TRP   6           HE3      TRP   6 -12.628  -7.929   3.723
   40    HZ2  TRP   6           HZ2      TRP   6  -8.955 -11.280   3.457
   41    HZ3  TRP   6           HZ3      TRP   6 -10.633  -7.746   5.147
   42    HH2  TRP   6           HH2      TRP   6  -8.835  -9.388   5.016
   43    H    GLY   7           H        GLY   7 -15.797  -7.790   3.263
   44    HA2  GLY   7          1HA       GLY   7 -16.495  -8.330   5.865
   45    HA3  GLY   7          2HA       GLY   7 -14.737  -8.331   5.861
   46    HA   PRO   8           HA       PRO   8 -15.875  -3.973   6.686
   47    HB2  PRO   8          1HB       PRO   8 -13.162  -3.942   7.829
   48    HB3  PRO   8          2HB       PRO   8 -14.698  -3.491   8.575
   49    HG2  PRO   8          1HG       PRO   8 -13.391  -5.723   9.284
   50    HG3  PRO   8          2HG       PRO   8 -15.162  -5.647   9.245
   51    HD2  PRO   8          1HD       PRO   8 -13.271  -6.851   7.257
   52    HD3  PRO   8          2HD       PRO   8 -14.830  -7.464   7.846
   53    H    CYS   9           H        CYS   9 -12.918  -5.362   5.406
   54    HA   CYS   9           HA       CYS   9 -12.400  -2.885   3.915
   55    HB2  CYS   9          1HB       CYS   9 -10.586  -3.571   5.424
   56    HB3  CYS   9          2HB       CYS   9 -10.512  -5.139   4.631
   57    HG   CYS   9           HG       CYS   9  -8.557  -2.836   4.016
   58    HA   PRO  10           HA       PRO  10 -13.822  -5.223   0.337
   59    HB2  PRO  10          1HB       PRO  10 -12.561  -2.883  -0.994
   60    HB3  PRO  10          2HB       PRO  10 -14.170  -3.568  -1.222
   61    HG2  PRO  10          1HG       PRO  10 -13.863  -1.296   0.111
   62    HG3  PRO  10          2HG       PRO  10 -15.028  -2.516   0.664
   63    HD2  PRO  10          1HD       PRO  10 -12.302  -1.882   1.731
   64    HD3  PRO  10          2HD       PRO  10 -13.791  -2.280   2.609
   65    H    THR  11           H        THR  11 -12.829  -6.541  -1.066
   66    HA   THR  11           HA       THR  11 -10.195  -7.331  -0.608
   67    HB   THR  11           HB       THR  11 -11.827  -7.924  -3.077
   68    HG1  THR  11           HG1      THR  11 -11.881  -9.329  -0.597
   69   HG21  THR  11          1HG2      THR  11  -9.525  -8.733  -3.149
   70   HG22  THR  11          2HG2      THR  11 -10.655 -10.079  -2.999
   71   HG23  THR  11          3HG2      THR  11  -9.747  -9.528  -1.592
   72    H    ALA  12           H        ALA  12 -11.619  -5.329  -3.144
   73    HA   ALA  12           HA       ALA  12  -9.189  -5.058  -4.630
   74    HB1  ALA  12          1HB       ALA  12 -10.386  -3.380  -5.918
   75    HB2  ALA  12          2HB       ALA  12 -11.674  -3.350  -4.714
   76    HB3  ALA  12          3HB       ALA  12 -11.399  -4.803  -5.674
   77    H    PHE  13           H        PHE  13 -10.616  -3.434  -1.929
   78    HA   PHE  13           HA       PHE  13  -9.329  -0.936  -2.202
   79    HB2  PHE  13          1HB       PHE  13 -11.328  -1.302  -0.804
   80    HB3  PHE  13          2HB       PHE  13 -10.365  -2.263   0.308
   81    HD1  PHE  13           HD1      PHE  13  -9.515  -1.238   2.175
   82    HD2  PHE  13           HD2      PHE  13 -10.400   1.115  -1.256
   83    HE1  PHE  13           HE1      PHE  13  -8.955   0.797   3.429
   84    HE2  PHE  13           HE2      PHE  13  -9.836   3.155  -0.008
   85    HZ   PHE  13           HZ       PHE  13  -9.113   2.999   2.340
   86    H    ARG  14           H        ARG  14  -8.474  -3.883  -0.425
   87    HA   ARG  14           HA       ARG  14  -6.098  -2.732   0.680
   88    HB2  ARG  14          1HB       ARG  14  -5.575  -4.951   1.482
   89    HB3  ARG  14          2HB       ARG  14  -7.275  -4.614   1.769
   90    HG2  ARG  14          1HG       ARG  14  -7.905  -5.985  -0.117
   91    HG3  ARG  14          2HG       ARG  14  -6.210  -6.255  -0.523
   92    HD2  ARG  14          1HD       ARG  14  -5.896  -7.360   1.668
   93    HD3  ARG  14          2HD       ARG  14  -7.614  -7.147   1.999
   94    HE   ARG  14           HE       ARG  14  -7.423  -8.478  -0.428
   95   HH11  ARG  14          1HH1      ARG  14  -6.521  -9.056   2.907
   96   HH12  ARG  14          2HH1      ARG  14  -6.701 -10.778   2.793
   97   HH21  ARG  14          1HH2      ARG  14  -7.658 -10.740  -0.586
   98   HH22  ARG  14          2HH2      ARG  14  -7.326 -11.738   0.793
   99    H    GLN  15           H        GLN  15  -6.917  -4.102  -2.338
  100    HA   GLN  15           HA       GLN  15  -4.211  -4.837  -3.033
  101    HB2  GLN  15          1HB       GLN  15  -6.142  -6.109  -3.924
  102    HB3  GLN  15          2HB       GLN  15  -6.674  -4.671  -4.779
  103    HG2  GLN  15          1HG       GLN  15  -5.514  -6.222  -6.254
  104    HG3  GLN  15          2HG       GLN  15  -4.660  -4.685  -6.121
  105   HE21  GLN  15          1HE2      GLN  15  -2.693  -4.601  -5.045
  106   HE22  GLN  15          2HE2      GLN  15  -1.786  -6.025  -4.666
  107    H    ILE  16           H        ILE  16  -6.501  -2.240  -3.743
  108    HA   ILE  16           HA       ILE  16  -4.755  -0.826  -5.494
  109    HB   ILE  16           HB       ILE  16  -7.127   0.154  -3.890
  110   HG12  ILE  16          1HG1      ILE  16  -7.739  -1.520  -5.561
  111   HG13  ILE  16          2HG1      ILE  16  -8.298   0.070  -6.074
  112   HG21  ILE  16          1HG2      ILE  16  -5.626   2.000  -4.425
  113   HG22  ILE  16          2HG2      ILE  16  -7.122   2.112  -5.352
  114   HG23  ILE  16          3HG2      ILE  16  -5.646   1.539  -6.126
  115   HD11  ILE  16          1HD1      ILE  16  -7.398  -1.123  -7.955
  116   HD12  ILE  16          2HD1      ILE  16  -5.881  -1.402  -7.100
  117   HD13  ILE  16          3HD1      ILE  16  -6.342   0.236  -7.567
  118    H    GLY  17           H        GLY  17  -5.331  -0.856  -2.035
  119    HA2  GLY  17          1HA       GLY  17  -3.560   1.258  -1.354
  120    HA3  GLY  17          2HA       GLY  17  -4.075  -0.043  -0.289
  121    H    ASN  18           H        ASN  18  -1.769   0.965  -2.665
  122    HA   ASN  18           HA       ASN  18   0.414  -0.505  -1.733
  123    HB2  ASN  18          1HB       ASN  18  -0.912  -2.456  -2.546
  124    HB3  ASN  18          2HB       ASN  18  -0.944  -1.741  -4.148
  125   HD21  ASN  18          1HD2      ASN  18   1.847  -1.659  -2.020
  126   HD22  ASN  18          2HD2      ASN  18   2.835  -2.699  -2.979
  127    H    CYS  19           H        CYS  19  -1.317   1.119  -4.236
  128    HA   CYS  19           HA       CYS  19   0.758   1.675  -6.039
  129    HB2  CYS  19          1HB       CYS  19  -1.590   3.475  -5.431
  130    HB3  CYS  19          2HB       CYS  19  -0.707   3.335  -6.948
  131    HG   CYS  19           HG       CYS  19  -2.959   1.142  -5.617
  132    H    GLY  20           H        GLY  20   2.629   2.569  -5.393
  133    HA2  GLY  20          1HA       GLY  20   3.820   4.589  -4.944
  134    HA3  GLY  20          2HA       GLY  20   2.478   5.117  -3.939
  135    H    ARG  21           H        ARG  21   3.120   1.892  -3.335
  136    HA   ARG  21           HA       ARG  21   4.368   2.562  -0.805
  137    HB2  ARG  21          1HB       ARG  21   2.580   0.934  -0.762
  138    HB3  ARG  21          2HB       ARG  21   3.407  -0.067  -1.948
  139    HG2  ARG  21          1HG       ARG  21   5.192  -0.507  -0.345
  140    HG3  ARG  21          2HG       ARG  21   4.374   0.507   0.847
  141    HD2  ARG  21          1HD       ARG  21   3.247  -2.002  -0.398
  142    HD3  ARG  21          2HD       ARG  21   3.945  -1.886   1.217
  143    HE   ARG  21           HE       ARG  21   2.055  -0.057   1.408
  144   HH11  ARG  21          1HH1      ARG  21   1.886  -3.266  -0.004
  145   HH12  ARG  21          2HH1      ARG  21   0.195  -3.458   0.338
  146   HH21  ARG  21          1HH2      ARG  21  -0.156  -0.323   1.863
  147   HH22  ARG  21          2HH2      ARG  21  -0.965  -1.783   1.388
  148    H    PHE  22           H        PHE  22   5.186   0.926  -3.795
  149    HA   PHE  22           HA       PHE  22   7.884   0.392  -2.766
  150    HB2  PHE  22          1HB       PHE  22   8.058  -1.147  -4.757
  151    HB3  PHE  22          2HB       PHE  22   6.872  -1.625  -3.551
  152    HD1  PHE  22           HD1      PHE  22   4.485  -1.439  -4.015
  153    HD2  PHE  22           HD2      PHE  22   7.404  -0.490  -6.961
  154    HE1  PHE  22           HE1      PHE  22   2.755  -1.550  -5.756
  155    HE2  PHE  22           HE2      PHE  22   5.678  -0.596  -8.708
  156    HZ   PHE  22           HZ       PHE  22   3.348  -1.125  -8.110
  157    H    ARG  23           H        ARG  23   9.649   0.618  -4.424
  158    HA   ARG  23           HA       ARG  23   9.245   3.162  -5.816
  159    HB2  ARG  23          1HB       ARG  23  11.046   3.125  -4.165
  160    HB3  ARG  23          2HB       ARG  23  11.784   1.751  -4.972
  161    HG2  ARG  23          1HG       ARG  23  12.335   3.081  -6.881
  162    HG3  ARG  23          2HG       ARG  23  11.428   4.454  -6.244
  163    HD2  ARG  23          1HD       ARG  23  13.855   4.702  -5.915
  164    HD3  ARG  23          2HD       ARG  23  12.969   4.659  -4.393
  165    HE   ARG  23           HE       ARG  23  14.026   2.111  -5.267
  166   HH11  ARG  23          1HH1      ARG  23  14.546   4.995  -3.357
  167   HH12  ARG  23          2HH1      ARG  23  15.758   4.271  -2.353
  168   HH21  ARG  23          1HH2      ARG  23  15.625   1.148  -3.949
  169   HH22  ARG  23          2HH2      ARG  23  16.372   2.079  -2.690
  170    H    VAL  24           H        VAL  24   8.458   2.701  -7.784
  171    HA   VAL  24           HA       VAL  24   9.260   0.459  -9.334
  172    HB   VAL  24           HB       VAL  24   7.062   1.571  -9.591
  173   HG11  VAL  24          1HG1      VAL  24   6.896   3.624 -10.942
  174   HG12  VAL  24          2HG1      VAL  24   8.653   3.769 -10.899
  175   HG13  VAL  24          3HG1      VAL  24   7.722   3.888  -9.409
  176   HG21  VAL  24          1HG2      VAL  24   8.702   1.492 -12.118
  177   HG22  VAL  24          2HG2      VAL  24   6.942   1.421 -12.021
  178   HG23  VAL  24          3HG2      VAL  24   7.917   0.113 -11.351
  179    H    ARG  25           H        ARG  25  10.621   3.535  -8.802
  180    HA   ARG  25           HA       ARG  25  11.906   4.018 -11.238
  181    HB2  ARG  25          1HB       ARG  25  11.691   5.670  -9.402
  182    HB3  ARG  25          2HB       ARG  25  12.860   4.750  -8.465
  183    HG2  ARG  25          1HG       ARG  25  14.606   5.252  -9.998
  184    HG3  ARG  25          2HG       ARG  25  13.466   5.946 -11.157
  185    HD2  ARG  25          1HD       ARG  25  14.088   7.029  -8.408
  186    HD3  ARG  25          2HD       ARG  25  14.660   7.697  -9.938
  187    HE   ARG  25           HE       ARG  25  12.099   7.876 -10.384
  188   HH11  ARG  25          1HH1      ARG  25  13.751   8.483  -7.354
  189   HH12  ARG  25          2HH1      ARG  25  12.560   9.606  -6.785
  190   HH21  ARG  25          1HH2      ARG  25  10.536   9.359  -9.637
  191   HH22  ARG  25          2HH2      ARG  25  10.736  10.104  -8.084
  192    H    CYS  26           H        CYS  26  13.057   2.243  -8.362
  193    HA   CYS  26           HA       CYS  26  15.513   1.534  -9.704
  194    HB2  CYS  26          1HB       CYS  26  15.962   0.183  -7.660
  195    HB3  CYS  26          2HB       CYS  26  15.613   1.872  -7.311
  196    HG   CYS  26           HG       CYS  26  13.906  -0.893  -6.459
  197    H    CYS  27           H        CYS  27  12.352   0.337  -9.568
  198    HA   CYS  27           HA       CYS  27  12.945  -2.424 -10.059
  199    HB2  CYS  27          1HB       CYS  27  10.785  -1.545  -9.073
  200    HB3  CYS  27          2HB       CYS  27  10.375  -0.948 -10.677
  201    HG   CYS  27           HG       CYS  27  10.949  -4.245  -9.975
  202    H    ARG  28           H        ARG  28  12.594   0.452 -11.958
  203    HA   ARG  28           HA       ARG  28  12.492  -0.935 -14.482
  204    HB2  ARG  28          1HB       ARG  28  11.425   1.269 -14.212
  205    HB3  ARG  28          2HB       ARG  28  12.986   1.985 -13.847
  206    HG2  ARG  28          1HG       ARG  28  13.764   1.475 -16.093
  207    HG3  ARG  28          2HG       ARG  28  12.218   0.711 -16.466
  208    HD2  ARG  28          1HD       ARG  28  12.604   3.606 -15.705
  209    HD3  ARG  28          2HD       ARG  28  12.356   3.005 -17.345
  210    HE   ARG  28           HE       ARG  28  10.225   2.050 -15.910
  211   HH11  ARG  28          1HH1      ARG  28  11.554   5.226 -16.541
  212   HH12  ARG  28          2HH1      ARG  28  10.016   6.020 -16.458
  213   HH21  ARG  28          1HH2      ARG  28   8.205   3.091 -15.800
  214   HH22  ARG  28          2HH2      ARG  28   8.110   4.809 -16.031
  215    H    ILE  29           H        ILE  29  14.875   0.157 -12.291
  216    HA   ILE  29           HA       ILE  29  17.038   0.387 -14.142
  217    HB   ILE  29           HB       ILE  29  17.030   0.065 -11.135
  218   HG12  ILE  29          1HG1      ILE  29  16.039   2.167 -11.918
  219   HG13  ILE  29          2HG1      ILE  29  17.582   2.468 -11.124
  220   HG21  ILE  29          1HG2      ILE  29  19.129  -0.771 -12.059
  221   HG22  ILE  29          2HG2      ILE  29  19.379   0.741 -11.183
  222   HG23  ILE  29          3HG2      ILE  29  19.347   0.739 -12.947
  223   HD11  ILE  29          1HD1      ILE  29  18.650   2.649 -13.331
  224   HD12  ILE  29          2HD1      ILE  29  17.371   3.839 -13.092
  225   HD13  ILE  29          3HD1      ILE  29  17.074   2.417 -14.090
  226    H    ARG  30           H        ARG  30  18.107  -1.192 -15.077
  227    HA   ARG  30           HA       ARG  30  17.843  -3.912 -14.029
  228    HB2  ARG  30          1HB       ARG  30  18.735  -4.586 -16.285
  229    HB3  ARG  30          2HB       ARG  30  17.168  -3.789 -16.314
  230    HG2  ARG  30          1HG       ARG  30  18.172  -1.735 -17.048
  231    HG3  ARG  30          2HG       ARG  30  19.788  -2.417 -16.864
  232    HD2  ARG  30          1HD       ARG  30  19.193  -2.448 -19.187
  233    HD3  ARG  30          2HD       ARG  30  19.221  -4.105 -18.586
  234    HE   ARG  30           HE       ARG  30  16.651  -3.601 -18.338
  235   HH11  ARG  30          1HH1      ARG  30  18.812  -2.727 -20.942
  236   HH12  ARG  30          2HH1      ARG  30  17.567  -2.733 -22.149
  237   HH21  ARG  30          1HH2      ARG  30  15.001  -3.613 -19.940
  238   HH22  ARG  30          2HH2      ARG  30  15.410  -3.220 -21.581
  Start of MODEL   20
    1    H1   ASN   1          1H        ASN   1 -14.860 -17.033   2.490
    2    H2   ASN   1          2H        ASN   1 -14.337 -15.612   3.239
    3    H3   ASN   1          3H        ASN   1 -15.687 -15.586   2.221
    4    HA   ASN   1           HA       ASN   1 -15.485 -16.998   4.810
    5    HB2  ASN   1          1HB       ASN   1 -17.017 -14.521   3.976
    6    HB3  ASN   1          2HB       ASN   1 -17.248 -15.356   5.506
    7   HD21  ASN   1          1HD2      ASN   1 -15.660 -15.221   7.089
    8   HD22  ASN   1          2HD2      ASN   1 -14.391 -14.052   7.020
    9    H    GLY   2           H        GLY   2 -18.230 -16.947   5.341
   10    HA2  GLY   2          1HA       GLY   2 -19.048 -19.185   3.773
   11    HA3  GLY   2          2HA       GLY   2 -19.998 -18.387   5.017
   12    H    ALA   3           H        ALA   3 -20.729 -16.081   4.272
   13    HA   ALA   3           HA       ALA   3 -22.343 -16.607   1.922
   14    HB1  ALA   3          1HB       ALA   3 -22.425 -14.297   3.860
   15    HB2  ALA   3          2HB       ALA   3 -23.399 -15.763   3.961
   16    HB3  ALA   3          3HB       ALA   3 -23.621 -14.648   2.613
   17    H    ILE   4           H        ILE   4 -20.005 -14.165   3.011
   18    HA   ILE   4           HA       ILE   4 -19.971 -13.114   0.255
   19    HB   ILE   4           HB       ILE   4 -19.239 -10.946   1.207
   20   HG12  ILE   4          1HG1      ILE   4 -19.870 -12.253   3.867
   21   HG13  ILE   4          2HG1      ILE   4 -18.263 -11.795   3.302
   22   HG21  ILE   4          1HG2      ILE   4 -21.433 -10.292   2.117
   23   HG22  ILE   4          2HG2      ILE   4 -21.863 -11.995   2.266
   24   HG23  ILE   4          3HG2      ILE   4 -21.581 -11.295   0.673
   25   HD11  ILE   4          1HD1      ILE   4 -18.916  -9.451   3.325
   26   HD12  ILE   4          2HD1      ILE   4 -19.152 -10.194   4.906
   27   HD13  ILE   4          3HD1      ILE   4 -20.538  -9.901   3.855
   28    H    CYS   5           H        CYS   5 -17.974 -12.359  -0.562
   29    HA   CYS   5           HA       CYS   5 -15.636 -13.661   0.651
   30    HB2  CYS   5          1HB       CYS   5 -14.632 -13.294  -1.661
   31    HB3  CYS   5          2HB       CYS   5 -15.953 -14.450  -1.566
   32    HG   CYS   5           HG       CYS   5 -15.761 -12.391  -3.814
   33    H    TRP   6           H        TRP   6 -17.116 -10.693   0.207
   34    HA   TRP   6           HA       TRP   6 -14.822  -9.306   1.292
   35    HB2  TRP   6          1HB       TRP   6 -14.859  -7.511  -0.376
   36    HB3  TRP   6          2HB       TRP   6 -14.506  -9.047  -1.152
   37    HD1  TRP   6           HD1      TRP   6 -16.341 -10.026  -2.831
   38    HE1  TRP   6           HE1      TRP   6 -18.351  -8.943  -4.025
   39    HE3  TRP   6           HE3      TRP   6 -16.656  -5.718  -0.112
   40    HZ2  TRP   6           HZ2      TRP   6 -19.862  -6.561  -3.828
   41    HZ3  TRP   6           HZ3      TRP   6 -18.406  -4.089  -0.680
   42    HH2  TRP   6           HH2      TRP   6 -19.973  -4.501  -2.501
   43    H    GLY   7           H        GLY   7 -15.482  -7.071   2.011
   44    HA2  GLY   7          1HA       GLY   7 -18.052  -6.074   2.029
   45    HA3  GLY   7          2HA       GLY   7 -17.999  -7.228   3.354
   46    HA   PRO   8           HA       PRO   8 -16.474  -3.734   5.782
   47    HB2  PRO   8          1HB       PRO   8 -15.914  -5.975   7.655
   48    HB3  PRO   8          2HB       PRO   8 -16.769  -4.455   7.946
   49    HG2  PRO   8          1HG       PRO   8 -18.108  -6.744   7.742
   50    HG3  PRO   8          2HG       PRO   8 -18.755  -5.247   7.044
   51    HD2  PRO   8          1HD       PRO   8 -17.416  -7.551   5.679
   52    HD3  PRO   8          2HD       PRO   8 -18.801  -6.573   5.149
   53    H    CYS   9           H        CYS   9 -14.965  -6.791   5.099
   54    HA   CYS   9           HA       CYS   9 -12.283  -5.689   5.404
   55    HB2  CYS   9          1HB       CYS   9 -13.140  -8.444   4.481
   56    HB3  CYS   9          2HB       CYS   9 -11.518  -7.948   4.953
   57    HG   CYS   9           HG       CYS   9 -12.034  -7.705   7.627
   58    HA   PRO  10           HA       PRO  10 -12.951  -4.496   1.070
   59    HB2  PRO  10          1HB       PRO  10 -10.471  -2.984   1.455
   60    HB3  PRO  10          2HB       PRO  10 -12.082  -2.395   1.042
   61    HG2  PRO  10          1HG       PRO  10 -10.975  -1.934   3.444
   62    HG3  PRO  10          2HG       PRO  10 -12.718  -2.184   3.241
   63    HD2  PRO  10          1HD       PRO  10 -10.628  -4.114   4.190
   64    HD3  PRO  10          2HD       PRO  10 -12.265  -3.825   4.816
   65    H    THR  11           H        THR  11 -12.324  -5.809  -0.525
   66    HA   THR  11           HA       THR  11  -9.685  -7.062  -0.354
   67    HB   THR  11           HB       THR  11 -10.577  -8.564  -2.167
   68    HG1  THR  11           HG1      THR  11 -12.569  -8.291  -2.897
   69   HG21  THR  11          1HG2      THR  11 -10.600  -9.279   0.159
   70   HG22  THR  11          2HG2      THR  11 -12.061  -9.835  -0.660
   71   HG23  THR  11          3HG2      THR  11 -12.130  -8.442   0.419
   72    H    ALA  12           H        ALA  12 -11.734  -5.189  -2.529
   73    HA   ALA  12           HA       ALA  12  -9.807  -5.057  -4.636
   74    HB1  ALA  12          1HB       ALA  12 -11.301  -3.404  -5.629
   75    HB2  ALA  12          2HB       ALA  12 -12.213  -3.305  -4.124
   76    HB3  ALA  12          3HB       ALA  12 -12.212  -4.802  -5.056
   77    H    PHE  13           H        PHE  13 -10.826  -2.888  -2.035
   78    HA   PHE  13           HA       PHE  13  -9.119  -0.746  -2.739
   79    HB2  PHE  13          1HB       PHE  13 -11.108  -0.527  -1.269
   80    HB3  PHE  13          2HB       PHE  13 -10.252  -1.416  -0.018
   81    HD1  PHE  13           HD1      PHE  13  -9.924   1.607  -2.154
   82    HD2  PHE  13           HD2      PHE  13  -9.043  -0.261   1.565
   83    HE1  PHE  13           HE1      PHE  13  -8.969   3.713  -1.326
   84    HE2  PHE  13           HE2      PHE  13  -8.086   1.842   2.400
   85    HZ   PHE  13           HZ       PHE  13  -8.049   3.837   0.954
   86    H    ARG  14           H        ARG  14  -8.688  -3.622  -0.800
   87    HA   ARG  14           HA       ARG  14  -6.219  -2.875   0.382
   88    HB2  ARG  14          1HB       ARG  14  -7.569  -4.673   1.324
   89    HB3  ARG  14          2HB       ARG  14  -7.402  -5.609  -0.153
   90    HG2  ARG  14          1HG       ARG  14  -5.031  -5.860   0.230
   91    HG3  ARG  14          2HG       ARG  14  -5.132  -4.843   1.669
   92    HD2  ARG  14          1HD       ARG  14  -5.069  -7.217   2.259
   93    HD3  ARG  14          2HD       ARG  14  -6.596  -6.481   2.735
   94    HE   ARG  14           HE       ARG  14  -6.748  -7.701   0.154
   95   HH11  ARG  14          1HH1      ARG  14  -6.800  -8.356   3.588
   96   HH12  ARG  14          2HH1      ARG  14  -7.738  -9.806   3.431
   97   HH21  ARG  14          1HH2      ARG  14  -7.995  -9.633  -0.056
   98   HH22  ARG  14          2HH2      ARG  14  -8.410 -10.532   1.369
   99    H    GLN  15           H        GLN  15  -7.137  -4.312  -2.656
  100    HA   GLN  15           HA       GLN  15  -4.489  -5.033  -3.452
  101    HB2  GLN  15          1HB       GLN  15  -6.524  -6.117  -4.362
  102    HB3  GLN  15          2HB       GLN  15  -6.969  -4.603  -5.127
  103    HG2  GLN  15          1HG       GLN  15  -5.973  -6.164  -6.703
  104    HG3  GLN  15          2HG       GLN  15  -5.015  -4.694  -6.536
  105   HE21  GLN  15          1HE2      GLN  15  -3.179  -5.720  -7.308
  106   HE22  GLN  15          2HE2      GLN  15  -2.285  -6.851  -6.354
  107    H    ILE  16           H        ILE  16  -6.492  -2.201  -3.642
  108    HA   ILE  16           HA       ILE  16  -4.903  -0.770  -5.531
  109    HB   ILE  16           HB       ILE  16  -6.865   0.239  -3.458
  110   HG12  ILE  16          1HG1      ILE  16  -7.890  -1.208  -5.170
  111   HG13  ILE  16          2HG1      ILE  16  -8.423   0.463  -5.342
  112   HG21  ILE  16          1HG2      ILE  16  -5.309   2.000  -4.060
  113   HG22  ILE  16          2HG2      ILE  16  -6.901   2.331  -4.743
  114   HG23  ILE  16          3HG2      ILE  16  -5.611   1.709  -5.773
  115   HD11  ILE  16          1HD1      ILE  16  -6.832   0.762  -7.184
  116   HD12  ILE  16          2HD1      ILE  16  -7.989  -0.529  -7.504
  117   HD13  ILE  16          3HD1      ILE  16  -6.341  -0.923  -7.020
  118    H    GLY  17           H        GLY  17  -5.111  -0.815  -1.988
  119    HA2  GLY  17          1HA       GLY  17  -2.975   1.087  -1.665
  120    HA3  GLY  17          2HA       GLY  17  -3.742   0.150  -0.391
  121    H    ASN  18           H        ASN  18  -3.212  -2.220  -0.445
  122    HA   ASN  18           HA       ASN  18  -1.763  -3.938  -0.276
  123    HB2  ASN  18          1HB       ASN  18  -1.481  -3.725  -2.695
  124    HB3  ASN  18          2HB       ASN  18  -0.244  -2.502  -2.456
  125   HD21  ASN  18          1HD2      ASN  18  -0.556  -5.392  -0.482
  126   HD22  ASN  18          2HD2      ASN  18   0.903  -6.137  -1.027
  127    H    CYS  19           H        CYS  19   0.537  -1.325  -1.009
  128    HA   CYS  19           HA       CYS  19   1.975  -2.021   1.444
  129    HB2  CYS  19          1HB       CYS  19   2.838  -0.303  -0.891
  130    HB3  CYS  19          2HB       CYS  19   3.848  -0.779   0.468
  131    HG   CYS  19           HG       CYS  19   3.719  -3.526  -0.162
  132    H    GLY  20           H        GLY  20  -0.515  -0.451   1.340
  133    HA2  GLY  20          1HA       GLY  20   0.504   1.954   2.695
  134    HA3  GLY  20          2HA       GLY  20  -0.812   2.070   1.536
  135    H    ARG  21           H        ARG  21   0.100   1.284   4.750
  136    HA   ARG  21           HA       ARG  21  -2.502   0.231   5.488
  137    HB2  ARG  21          1HB       ARG  21  -0.149   1.040   7.211
  138    HB3  ARG  21          2HB       ARG  21  -1.571   0.167   7.766
  139    HG2  ARG  21          1HG       ARG  21  -0.996  -1.720   6.361
  140    HG3  ARG  21          2HG       ARG  21   0.394  -0.842   5.720
  141    HD2  ARG  21          1HD       ARG  21   1.158  -2.368   7.412
  142    HD3  ARG  21          2HD       ARG  21   1.315  -0.721   8.019
  143    HE   ARG  21           HE       ARG  21  -1.149  -1.602   8.886
  144   HH11  ARG  21          1HH1      ARG  21   2.186  -2.604   9.285
  145   HH12  ARG  21          2HH1      ARG  21   1.918  -3.311  10.846
  146   HH21  ARG  21          1HH2      ARG  21  -1.503  -2.529  10.933
  147   HH22  ARG  21          2HH2      ARG  21  -0.184  -3.270  11.786
  148    H    PHE  22           H        PHE  22  -1.620   3.094   4.573
  149    HA   PHE  22           HA       PHE  22  -3.367   4.545   6.418
  150    HB2  PHE  22          1HB       PHE  22  -1.814   6.512   6.141
  151    HB3  PHE  22          2HB       PHE  22  -1.132   5.176   7.058
  152    HD1  PHE  22           HD1      PHE  22   0.655   3.818   6.136
  153    HD2  PHE  22           HD2      PHE  22  -0.971   7.099   3.968
  154    HE1  PHE  22           HE1      PHE  22   2.582   3.767   4.613
  155    HE2  PHE  22           HE2      PHE  22   0.952   7.048   2.442
  156    HZ   PHE  22           HZ       PHE  22   2.735   5.379   2.763
  157    H    ARG  23           H        ARG  23  -3.692   6.872   5.268
  158    HA   ARG  23           HA       ARG  23  -4.877   6.271   2.716
  159    HB2  ARG  23          1HB       ARG  23  -5.826   7.848   4.508
  160    HB3  ARG  23          2HB       ARG  23  -4.617   9.003   3.967
  161    HG2  ARG  23          1HG       ARG  23  -6.721   9.490   2.915
  162    HG3  ARG  23          2HG       ARG  23  -5.584   8.907   1.698
  163    HD2  ARG  23          1HD       ARG  23  -6.599   6.710   1.750
  164    HD3  ARG  23          2HD       ARG  23  -7.665   7.201   3.064
  165    HE   ARG  23           HE       ARG  23  -7.909   8.783   0.660
  166   HH11  ARG  23          1HH1      ARG  23  -8.997   5.928   2.369
  167   HH12  ARG  23          2HH1      ARG  23 -10.532   5.872   1.559
  168   HH21  ARG  23          1HH2      ARG  23  -9.923   8.708  -0.416
  169   HH22  ARG  23          2HH2      ARG  23 -11.059   7.458  -0.021
  170    H    VAL  24           H        VAL  24  -3.791   6.317   0.893
  171    HA   VAL  24           HA       VAL  24  -1.085   7.033   0.723
  172    HB   VAL  24           HB       VAL  24  -3.039   6.657  -1.555
  173   HG11  VAL  24          1HG1      VAL  24  -0.028   6.482  -1.513
  174   HG12  VAL  24          2HG1      VAL  24  -0.987   7.749  -2.279
  175   HG13  VAL  24          3HG1      VAL  24  -1.063   6.095  -2.887
  176   HG21  VAL  24          1HG2      VAL  24  -3.018   4.715  -0.098
  177   HG22  VAL  24          2HG2      VAL  24  -1.256   4.665  -0.155
  178   HG23  VAL  24          3HG2      VAL  24  -2.195   4.344  -1.613
  179    H    ARG  25           H        ARG  25  -4.009   8.799   0.003
  180    HA   ARG  25           HA       ARG  25  -3.001  10.905  -1.502
  181    HB2  ARG  25          1HB       ARG  25  -5.408  10.473  -1.070
  182    HB3  ARG  25          2HB       ARG  25  -5.188  11.027   0.584
  183    HG2  ARG  25          1HG       ARG  25  -4.500  13.236  -0.295
  184    HG3  ARG  25          2HG       ARG  25  -4.881  12.664  -1.923
  185    HD2  ARG  25          1HD       ARG  25  -7.200  12.231  -1.191
  186    HD3  ARG  25          2HD       ARG  25  -6.796  12.879   0.396
  187    HE   ARG  25           HE       ARG  25  -6.500  14.554  -2.001
  188   HH11  ARG  25          1HH1      ARG  25  -7.971  13.935   1.116
  189   HH12  ARG  25          2HH1      ARG  25  -8.737  15.488   1.203
  190   HH21  ARG  25          1HH2      ARG  25  -7.510  16.596  -1.889
  191   HH22  ARG  25          2HH2      ARG  25  -8.471  17.003  -0.503
  192    H    CYS  26           H        CYS  26  -3.068  10.447   1.993
  193    HA   CYS  26           HA       CYS  26  -2.222  13.030   2.734
  194    HB2  CYS  26          1HB       CYS  26  -3.259  11.435   4.307
  195    HB3  CYS  26          2HB       CYS  26  -1.836  10.408   4.199
  196    HG   CYS  26           HG       CYS  26  -1.386  13.606   5.211
  197    H    CYS  27           H        CYS  27  -0.499  10.237   1.611
  198    HA   CYS  27           HA       CYS  27   2.074  11.321   2.450
  199    HB2  CYS  27          1HB       CYS  27   1.632   8.926   2.777
  200    HB3  CYS  27          2HB       CYS  27   1.386   8.732   1.045
  201    HG   CYS  27           HG       CYS  27   4.291   9.225   2.739
  202    H    ARG  28           H        ARG  28   0.075  11.123  -0.348
  203    HA   ARG  28           HA       ARG  28   2.313  11.610  -2.147
  204    HB2  ARG  28          1HB       ARG  28   0.644   9.947  -2.822
  205    HB3  ARG  28          2HB       ARG  28  -0.621  11.163  -2.724
  206    HG2  ARG  28          1HG       ARG  28   0.020  10.757  -5.024
  207    HG3  ARG  28          2HG       ARG  28   0.420  12.408  -4.544
  208    HD2  ARG  28          1HD       ARG  28   2.747  11.731  -4.181
  209    HD3  ARG  28          2HD       ARG  28   2.346  10.087  -4.672
  210    HE   ARG  28           HE       ARG  28   1.744  12.159  -6.608
  211   HH11  ARG  28          1HH1      ARG  28   4.064   9.796  -5.477
  212   HH12  ARG  28          2HH1      ARG  28   4.895   9.694  -6.995
  213   HH21  ARG  28          1HH2      ARG  28   2.831  12.025  -8.615
  214   HH22  ARG  28          2HH2      ARG  28   4.192  10.965  -8.781
  215    H    ILE  29           H        ILE  29  -0.814  13.111  -1.340
  216    HA   ILE  29           HA       ILE  29  -0.198  15.408  -2.975
  217    HB   ILE  29           HB       ILE  29  -2.542  14.974  -1.111
  218   HG12  ILE  29          1HG1      ILE  29  -2.473  13.277  -2.880
  219   HG13  ILE  29          2HG1      ILE  29  -3.799  14.402  -3.157
  220   HG21  ILE  29          1HG2      ILE  29  -3.623  16.768  -2.373
  221   HG22  ILE  29          2HG2      ILE  29  -2.170  16.973  -3.347
  222   HG23  ILE  29          3HG2      ILE  29  -2.132  17.339  -1.623
  223   HD11  ILE  29          1HD1      ILE  29  -2.443  15.566  -4.833
  224   HD12  ILE  29          2HD1      ILE  29  -2.675  13.864  -5.231
  225   HD13  ILE  29          3HD1      ILE  29  -1.137  14.413  -4.565
  226    H    ARG  30           H        ARG  30   1.714  16.050  -1.885
  227    HA   ARG  30           HA       ARG  30   1.096  17.780   0.409
  228    HB2  ARG  30          1HB       ARG  30   3.631  16.181   0.001
  229    HB3  ARG  30          2HB       ARG  30   3.395  17.386   1.259
  230    HG2  ARG  30          1HG       ARG  30   1.568  16.029   2.183
  231    HG3  ARG  30          2HG       ARG  30   1.873  14.811   0.943
  232    HD2  ARG  30          1HD       ARG  30   4.130  14.488   1.792
  233    HD3  ARG  30          2HD       ARG  30   3.868  15.741   3.003
  234    HE   ARG  30           HE       ARG  30   1.884  13.763   3.285
  235   HH11  ARG  30          1HH1      ARG  30   5.320  14.227   3.743
  236   HH12  ARG  30          2HH1      ARG  30   5.437  13.080   5.038
  237   HH21  ARG  30          1HH2      ARG  30   2.023  12.253   4.992
  238   HH22  ARG  30          2HH2      ARG  30   3.556  11.933   5.742