*HEADER    LIGASE                                  27-OCT-15   2N8U              
*TITLE     SOLUTION STRUCTURE OF THE RNEDD4 WW2 DOMAIN BY NMR                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE NEDD4;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW2 DOMAIN;                                                
*COMPND   5 EC: 6.3.2.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: BROWN RAT,RAT,RATS;                                 
*SOURCE   4 ORGANISM_TAXID: 10116;                                               
*SOURCE   5 GENE: NEDD4, NEDD4A;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX-KT                                    
*KEYWDS    RNEDD4 WW2, LIGASE                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    9                                                                     
*AUTHOR    G.SPAGNOL, F.KIEKEN, P.L.SORGEN                                       
*REVDAT   1   24-FEB-16 2N8U    0                                                


          ============================================================
          |                                                          |
          |            Crystallography & NMR System (CNS)            |
          |                         CNSsolve                         |
          |                                                          |
          ============================================================
           Version: 1.1
           Status: Developmental version
          ============================================================
           Written by: A.T.Brunger, P.D.Adams, G.M.Clore, W.L.DeLano,
                       P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang,
                       J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read,
                       L.M.Rice, T.Simonson, G.L.Warren.
           Copyright (c) 1997-1999 Yale University
          ============================================================
           Running on machine: adama (Unix-g77,32-bit)
           Program started by: fkieken
           Program started at: 20:08:42 on 15-Jun-2010
          ============================================================

 FFT3C: Using FFTPACK4.1

 CNSsolve>!$Revision: 1.3 $ 
 CNSsolve>!$Date: 2016/02/17 13:48:30 $ 
 CNSsolve>!$RCSfile: rcsb104567.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>! merge.inp 
 CNSsolve>! reads in several data lists and merges them 
 CNSsolve>! outputs "ambig.tbl" and "unambig.tbl" 
 CNSsolve>!     ************************************ 
 CNSsolve>!     * Authors and copyright:           * 
 CNSsolve>!     * Michael Nilges, Jens Linge, EMBL * 
 CNSsolve>!     * No warranty implied or expressed * 
 CNSsolve>!     * All rights reserved              * 
 CNSsolve>!     ************************************ 
 CNSsolve> 
 CNSsolve>! set abort off end  ! for testing only 
 CNSsolve>set abort normal end 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>@RUN:protocols/initialize.cns 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/protocols/initialize.cns opened.
 CNSsolve>!$Revision: 1.3 $ 
 CNSsolve>!$Date: 2016/02/17 13:48:30 $ 
 CNSsolve>!$RCSfile: rcsb104567.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>module (spectrum;iteration;) 
 MODULE-INVOCATION>(spectrum=$spectrum;iteration=$iteration;) 
 &_2_SPECTRUM set to $_1_SPECTRUM 
 &_2_ITERATION set to $_1_ITERATION 
 CNSsolve>evaluate (&spectrum = "") 
 EVALUATE: symbol $_1_SPECTRUM set to "" (string)
 CNSsolve>evaluate (&iteration = "") 
 EVALUATE: symbol $_1_ITERATION set to "" (string)
 CNSsolve> 
 CNSsolve> 
 CNSsolve>@NEWIT:iteration.cns(iteration=$iteration;) 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/finaldata/iteration.cns opened.
 CNSsolve>module ( iteration ) 
 &_2_ITERATION set to $_1_ITERATION 
 CNSsolve>evaluate (&iteration=8) 
 EVALUATE: symbol $_1_ITERATION set to    8.00000     (real)
 CNSsolve> 
 CNSsolve>!!! @SPECTRUM:spectrum.cns(spectrum=$spectrum;) 
 CNSsolve> 
 CNSsolve>@RUN:run.cns( 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/run.cns opened.
 CNSsolve>!$Revision: 1.3 $ 
 CNSsolve>!$Date: 2016/02/17 13:48:30 $ 
 CNSsolve>!$RCSfile: rcsb104567.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>module( 
 MODULE-DECLARATION>spectrum; 
 MODULE-DECLARATION>iteration; 
 MODULE-DECLARATION>filenames; 
 MODULE-DECLARATION>spectra; 
 MODULE-DECLARATION>data; 
 MODULE-DECLARATION>iterations; 
 MODULE-DECLARATION>saprotocol; 
 MODULE-DECLARATION>refine; 
 MODULE-DECLARATION>relax; 
 MODULE-DECLARATION>toppar; 
 MODULE-DECLARATION>analysis; 
 MODULE-DECLARATION>) 
 MODULE-INVOCATION>spectrum  =$spectrum; 
 &_2_SPECTRUM set to $_1_SPECTRUM 
 MODULE-INVOCATION>iteration =$iteration; 
 &_2_ITERATION set to $_1_ITERATION 
 MODULE-INVOCATION>filenames =$filenames; 
 &_2_FILENAMES set to $_1_FILENAMES 
 MODULE-INVOCATION>spectra   =$spectra; 
 &_2_SPECTRA set to $_1_SPECTRA 
 MODULE-INVOCATION>data      =$data; 
 &_2_DATA set to $_1_DATA 
 MODULE-INVOCATION>iterations=$iterations; 
 &_2_ITERATIONS set to $_1_ITERATIONS 
 MODULE-INVOCATION>saprotocol=$saprotocol; 
 &_2_SAPROTOCOL set to $_1_SAPROTOCOL 
 MODULE-INVOCATION>refine    =$refine; 
 &_2_REFINE set to $_1_REFINE 
 MODULE-INVOCATION>relax     =$relax; 
 &_2_RELAX set to $_1_RELAX 
 MODULE-INVOCATION>toppar    =$toppar; 
 &_2_TOPPAR set to $_1_TOPPAR 
 MODULE-INVOCATION>analysis  =$analysis; 
 &_2_ANALYSIS set to $_1_ANALYSIS 
 MODULE-INVOCATION>) 
 CNSsolve> 
 CNSsolve>{+ file: run.cns +} 
 CNSsolve>{+ description: The file run.cns contains all necessary information to run ARIA. 
 CNSsolve>ARIA automatically sets the default values. 
 CNSsolve>Please change the values for the mixing time, rotation 
 CNSsolve>correlation time and spectrometer frequency for the spin diffusion correction. 
 CNSsolve>For the large CNS log files, you should use a temporary directory. version 1.2 +} 
 CNSsolve>{+ authors: Jens Linge, Michael Nilges +} 
 CNSsolve> 
 CNSsolve>set message off echo off end 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>!set the energy flags: 
 CNSsolve>@@RUN:protocols/flags_new.cns(Iteration=$Iteration; Data=$Data; ) 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/protocols/flags_new.cns opened.
 CNSsolve>!$Revision: 1.3 $ 
 CNSsolve>!$Date: 2016/02/17 13:48:30 $ 
 CNSsolve>!$RCSfile: rcsb104567.mr,v $ 
 CNSsolve> 
 CNSsolve>module(Iteration; Data; ) 
 &_2_ITERATION set to $_1_ITERATION 
 &_2_DATA set to $_1_DATA 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if (&Data.cdih.on eq true) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 EVALUATE: symbol $_1_DATA.FLAGS.CDIH set to TRUE (logical)
 CNSsolve>end if 
 CNSsolve>if (&Data.cdihcsi.on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.cdihtalos.on eq true) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 EVALUATE: symbol $_1_DATA.FLAGS.CDIH set to TRUE (logical)
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if     (&Data.c1_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c2_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c3_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c4_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c5_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.relax_choice eq "DANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.dani = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.rdc1_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc2_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc3_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc4_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc5_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.dani eq TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.harm = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.sani eq TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.harm = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.rdc1_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc2_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc3_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc4_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc5_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>flags exclude * end 
 CNSsolve>if (&Data.flags.bonds = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include bonds end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.angle = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include angle end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.impro = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include improper end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.dihed = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include dihedrals end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.vdw   = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include vdw end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.elec  = TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include elec end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.noe  =  TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include noe end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.cdih =  TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include cdih end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.coup =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include coup end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.vean =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include vean end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.sani =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include sani end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.dani =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include dani end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.plan =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include plan end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.ncs  =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include ncs end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>!read the .psf files: 
 CNSsolve>evaluate ($psfcount = 1) 
 EVALUATE: symbol $PSFCOUNT set to    1.00000     (real)
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 EVALUATE: symbol $STRUCTUREFILE set to "RUN:begin/ww2.psf" (string)
 CNSsolve>      structure @@$structurefile end 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/begin/ww2.psf opened.
 STRUcture>data_cns_mtf 
 REMARKS FILENAME="/usr/lab/people/fkieken/ww2/run12/begin/ww2.psf"
 REMARKS  TOPH19.pep -MACRO for protein sequence
 REMARKS DATE:15-Jun-2010  16:58:20       created by user: fkieken
 REMARKS VERSION:1.1
 Status of internal molecular topology database:
 -> NATOM=        593(MAXA=       40000)  NBOND=        602(MAXB=       40000)
 -> NTHETA=      1078(MAXT=       80000)  NGRP=          41(MAXGRP=     40000)
 -> NPHI=         895(MAXP=       80000)  NIMPHI=       325(MAXIMP=     40000)
 -> NNB=           66(MAXNB=      40000) 
 STRUcture> 
 STRUcture> end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    2.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    3.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    4.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    5.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    6.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as false
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 CNSsolve>end loop pars 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($templatefile = "RUN:" + "begin/" + $Filenames.template) 
 EVALUATE: symbol $TEMPLATEFILE set to "RUN:begin/ww2_template.pdb" (string)
 CNSsolve>coor @@$templatefile 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/begin/ww2_template.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/begin/ww2_template.pdb" 
 COOR>REMARK produced by nmr/generate_template.inp 
 COOR>REMARK DATE:15-Jun-2010  16:58:29       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      17.992  -7.914   3.059  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1      17.773  -7.339   4.705  1.00  0.00 
 CNSsolve>delete selection=(not known) end 
 SELRPN:      0 atoms have been selected out of    593
 Status of internal molecular topology database:
 -> NATOM=        593(MAXA=       40000)  NBOND=        602(MAXB=       40000)
 -> NTHETA=      1078(MAXT=       80000)  NGRP=          41(MAXGRP=     40000)
 -> NPHI=         895(MAXP=       80000)  NIMPHI=       325(MAXIMP=     40000)
 -> NNB=           66(MAXNB=      40000) 
 CNSsolve>delete selection=(resname ANI) end 
 SELRPN:      0 atoms have been selected out of    593
 Status of internal molecular topology database:
 -> NATOM=        593(MAXA=       40000)  NBOND=        602(MAXB=       40000)
 -> NTHETA=      1078(MAXT=       80000)  NGRP=          41(MAXGRP=     40000)
 -> NPHI=         895(MAXP=       80000)  NIMPHI=       325(MAXIMP=     40000)
 -> NNB=           66(MAXNB=      40000) 
 CNSsolve> 
 CNSsolve>if ($Data.flags.dani = true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  structure @@RUN:toppar/tensor.psf end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if ($Data.flags.sani = true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  structure @@RUN:toppar/tensor.psf end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>!read the parameter files: 
 CNSsolve>evaluate ($par_nonbonded = $toppar.par_nonbonded) 
 EVALUATE: symbol $PAR_NONBONDED set to "PROLSQ" (string)
 CNSsolve>evaluate ($parcount = 1) 
 EVALUATE: symbol $PARCOUNT set to    1.00000     (real)
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 EVALUATE: symbol $PROT_PAR_FILE set to "RUN:toppar/parallhdg5.3.pro" (string)
 CNSsolve>      parameter @@$prot_par_file end 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/toppar/parallhdg5.3.pro opened.
 PARRDR>remark   file protein-allhdg-ucl.param  version UCL  date 07-JUL-01 
 PARRDR>remark   for file protein-allhdg-ucl.top  version UCL  date 14-MAR-00 
 PARRDR>remark   for file protein-allhdg-dih-ucl.top  version UCL  date 07-JUL-01 
 PARRDR>remark   Geometric energy function parameters for distance geometry and 
 PARRDR>remark   simulated annealing. 
 PARRDR>remark   Original author: Michael Nilges, EMBL Heidelberg 
 PARRDR>remark   Modifications: Mark A. Williams, UCL London 
 PARRDR> 
 PARRDR>set echo off message off end 
 PARRDR> end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    3.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    4.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    5.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    6.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as false
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 CNSsolve>end loop pars 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>noe 
 NOE>        reset 
 NOE>        nrestraints = 100000                   ! allocate space for NOEs 
 NOE: allocating space for  100000 restraints.
 NOE>        ceiling 1000 
 NOE>  
 NOE>        class      DIST 
 NOE> 
 NOE>        evaluate ($ispectrum = 0) 
 EVALUATE: symbol $ISPECTRUM set to    0.00000     (real)
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    1.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:13c.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint     1
 restraint successfully read:     4
 reading restraint     2
 restraint successfully read:     5
 reading restraint     3
 restraint successfully read:     6
 reading restraint     4
 restraint successfully read:     7
 reading restraint     5
 restraint successfully read:     8
 reading restraint     6
 restraint successfully read:     9
 reading restraint     7
 restraint successfully read:    10
 reading restraint     8
 restraint successfully read:    12
 reading restraint     9
 restraint successfully read:    15
 reading restraint    10
 restraint successfully read:    16
 reading restraint    11
 restraint successfully read:    17
 reading restraint    12
 restraint successfully read:    19
 reading restraint    13
 restraint successfully read:    20
 reading restraint    14
 restraint successfully read:    21
 reading restraint    15
 restraint successfully read:    22
 reading restraint    16
 restraint successfully read:    23
 reading restraint    17
 restraint successfully read:    24
 reading restraint    18
 restraint successfully read:    25
 reading restraint    19
 restraint successfully read:    26
 reading restraint    20
 restraint successfully read:    27
 reading restraint    21
 restraint successfully read:    28
 reading restraint    22
 restraint successfully read:    29
 reading restraint    23
 restraint successfully read:    30
 reading restraint    24
 restraint successfully read:    31
 reading restraint    25
 restraint successfully read:    32
 reading restraint    26
 restraint successfully read:    33
 reading restraint    27
 restraint successfully read:    34
 reading restraint    28
 restraint successfully read:    35
 reading restraint    29
 restraint successfully read:    37
 reading restraint    30
 restraint successfully read:    38
 reading restraint    31
 restraint successfully read:    39
 reading restraint    32
 restraint successfully read:    41
 reading restraint    33
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 restraint successfully read:    44
 reading restraint    35
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 reading restraint    50
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 reading restraint    64
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 reading restraint    66
 restraint successfully read:    89
 reading restraint    67
 restraint successfully read:    90
 reading restraint    68
 restraint successfully read:    91
 reading restraint    69
 restraint successfully read:    92
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 reading restraint    73
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 reading restraint    74
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 reading restraint    76
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 reading restraint    77
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 reading restraint    78
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 reading restraint    79
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 reading restraint    80
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 reading restraint    81
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 reading restraint    82
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 reading restraint    83
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 reading restraint    85
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 reading restraint    86
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 reading restraint    87
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 reading restraint    88
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 reading restraint    89
 restraint successfully read:   120
 reading restraint    90
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 reading restraint    91
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 restraint successfully read:   133
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 restraint successfully read:   134
 reading restraint   100
 restraint successfully read:   137
 reading restraint   101
 restraint successfully read:   138
 reading restraint   102
 restraint successfully read:   140
 reading restraint   103
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 reading restraint   104
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 reading restraint   105
 restraint successfully read:   147
 reading restraint   106
 restraint successfully read:   149
 reading restraint   107
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 reading restraint   108
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 reading restraint   109
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 reading restraint   110
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 reading restraint   111
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 restraint successfully read:   168
 reading restraint   119
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 reading restraint   123
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 restraint successfully read:   179
 reading restraint   125
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 reading restraint   127
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 reading restraint   180
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 reading restraint   184
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 restraint successfully read:   286
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 reading restraint   195
 restraint successfully read:   289
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 restraint successfully read:   290
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 reading restraint   199
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 reading restraint   200
 restraint successfully read:   297
 reading restraint   201
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 reading restraint   203
 restraint successfully read:   300
 reading restraint   204
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 reading restraint   212
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 reading restraint   213
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 reading restraint   214
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 reading restraint   216
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 reading restraint   217
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 reading restraint   218
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 reading restraint   219
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 reading restraint   220
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 reading restraint   221
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 reading restraint   234
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 reading restraint   250
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 reading restraint   251
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 reading restraint   252
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 reading restraint   258
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 reading restraint   265
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 restraint successfully read:   391
 reading restraint   268
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 reading restraint   269
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 reading restraint   270
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 reading restraint   271
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 reading restraint   272
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 reading restraint   273
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 reading restraint   274
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 reading restraint   275
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 reading restraint   276
 restraint successfully read:   405
 reading restraint   277
 restraint successfully read:   407
 reading restraint   278
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 reading restraint   279
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 reading restraint   280
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 reading restraint   281
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 reading restraint   283
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 reading restraint   284
 restraint successfully read:   416
 reading restraint   285
 restraint successfully read:   418
 reading restraint   286
 restraint successfully read:   420
 reading restraint   287
 restraint successfully read:   422
 reading restraint   288
 restraint successfully read:   424
 reading restraint   289
 restraint successfully read:   425
 reading restraint   290
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 reading restraint   291
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 reading restraint   292
 restraint successfully read:   428
 reading restraint   293
 restraint successfully read:   429
 reading restraint   294
 restraint successfully read:   431
 reading restraint   295
 restraint successfully read:   432
 reading restraint   296
 restraint successfully read:   433
 reading restraint   297
 restraint successfully read:   438
 reading restraint   298
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 reading restraint   299
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 reading restraint   300
 restraint successfully read:   442
 reading restraint   301
 restraint successfully read:   443
 reading restraint   302
 restraint successfully read:   444
 reading restraint   303
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 reading restraint   304
 restraint successfully read:   448
 reading restraint   305
 restraint successfully read:   450
 reading restraint   306
 restraint successfully read:   451
 reading restraint   307
 restraint successfully read:   452
 reading restraint   308
 restraint successfully read:   453
 reading restraint   309
 restraint successfully read:   458
 reading restraint   310
 restraint successfully read:   461
 reading restraint   311
 restraint successfully read:   462
 reading restraint   312
 restraint successfully read:   463
 reading restraint   313
 restraint successfully read:   464
 reading restraint   314
 restraint successfully read:   466
 reading restraint   315
 restraint successfully read:   468
 reading restraint   316
 restraint successfully read:   469
 reading restraint   317
 restraint successfully read:   470
 reading restraint   318
 restraint successfully read:   471
 reading restraint   319
 restraint successfully read:   473
 reading restraint   320
 restraint successfully read:   474
 reading restraint   321
 restraint successfully read:   475
 reading restraint   322
 restraint successfully read:   476
 reading restraint   323
 restraint successfully read:   477
 reading restraint   324
 restraint successfully read:   478
 reading restraint   325
 restraint successfully read:   479
 reading restraint   326
 restraint successfully read:   480
 reading restraint   327
 restraint successfully read:   483
 reading restraint   328
 restraint successfully read:   486
 reading restraint   329
 restraint successfully read:   487
 reading restraint   330
 restraint successfully read:   488
 reading restraint   331
 restraint successfully read:   489
 reading restraint   332
 restraint successfully read:   490
 reading restraint   333
 restraint successfully read:   491
 reading restraint   334
 restraint successfully read:   492
 reading restraint   335
 restraint successfully read:   493
 reading restraint   336
 restraint successfully read:   497
 reading restraint   337
 restraint successfully read:   499
 reading restraint   338
 restraint successfully read:   500
 reading restraint   339
 restraint successfully read:   501
 reading restraint   340
 restraint successfully read:   502
 reading restraint   341
 restraint successfully read:   503
 reading restraint   342
 restraint successfully read:   506
 reading restraint   343
 restraint successfully read:   507
 reading restraint   344
 restraint successfully read:   509
 reading restraint   345
 restraint successfully read:   512
 reading restraint   346
 restraint successfully read:   513
 reading restraint   347
 restraint successfully read:   514
 reading restraint   348
 restraint successfully read:   515
 reading restraint   349
 restraint successfully read:   516
 reading restraint   350
 restraint successfully read:   517
 reading restraint   351
 restraint successfully read:   518
 reading restraint   352
 restraint successfully read:   519
 reading restraint   353
 restraint successfully read:   521
 reading restraint   354
 restraint successfully read:   524
 reading restraint   355
 restraint successfully read:   526
 reading restraint   356
 restraint successfully read:   528
 reading restraint   357
 restraint successfully read:   530
 reading restraint   358
 restraint successfully read:   531
 reading restraint   359
 restraint successfully read:   534
 reading restraint   360
 restraint successfully read:   535
 reading restraint   361
 restraint successfully read:   536
 reading restraint   362
 restraint successfully read:   538
 reading restraint   363
 restraint successfully read:   539
 reading restraint   364
 restraint successfully read:   540
 reading restraint   365
 restraint successfully read:   541
 reading restraint   366
 restraint successfully read:   542
 reading restraint   367
 restraint successfully read:   543
 reading restraint   368
 restraint successfully read:   544
 reading restraint   369
 restraint successfully read:   545
 reading restraint   370
 restraint successfully read:   546
 reading restraint   371
 restraint successfully read:   549
 reading restraint   372
 restraint successfully read:   550
 reading restraint   373
 restraint successfully read:   551
 reading restraint   374
 restraint successfully read:   552
 reading restraint   375
 restraint successfully read:   554
 reading restraint   376
 restraint successfully read:   555
 reading restraint   377
 restraint successfully read:   556
 reading restraint   378
 restraint successfully read:   558
 reading restraint   379
 restraint successfully read:   559
 reading restraint   380
 restraint successfully read:   561
 reading restraint   381
 restraint successfully read:   562
 reading restraint   382
 restraint successfully read:   563
 reading restraint   383
 restraint successfully read:   564
 reading restraint   384
 restraint successfully read:   565
 reading restraint   385
 restraint successfully read:   568
 reading restraint   386
 restraint successfully read:   570
 reading restraint   387
 restraint successfully read:   571
 reading restraint   388
 restraint successfully read:   573
 reading restraint   389
 restraint successfully read:   574
 reading restraint   390
 restraint successfully read:   575
 reading restraint   391
 restraint successfully read:   576
 reading restraint   392
 restraint successfully read:   577
 reading restraint   393
 restraint successfully read:   580
 reading restraint   394
 restraint successfully read:   581
 reading restraint   395
 restraint successfully read:   582
 reading restraint   396
 restraint successfully read:   583
 reading restraint   397
 restraint successfully read:   585
 reading restraint   398
 restraint successfully read:   586
 reading restraint   399
 restraint successfully read:   587
 reading restraint   400
 restraint successfully read:   588
 reading restraint   401
 restraint successfully read:   589
 reading restraint   402
 restraint successfully read:   590
 reading restraint   403
 restraint successfully read:   593
 reading restraint   404
 restraint successfully read:   594
 reading restraint   405
 restraint successfully read:   595
 reading restraint   406
 restraint successfully read:   596
 reading restraint   407
 restraint successfully read:   597
 reading restraint   408
 restraint successfully read:   598
 reading restraint   409
 restraint successfully read:   599
 reading restraint   410
 restraint successfully read:   601
 reading restraint   411
 restraint successfully read:   602
 reading restraint   412
 restraint successfully read:   603
 reading restraint   413
 restraint successfully read:   604
 reading restraint   414
 restraint successfully read:   605
 reading restraint   415
 restraint successfully read:   607
 reading restraint   416
 restraint successfully read:   609
 reading restraint   417
 restraint successfully read:   610
 reading restraint   418
 restraint successfully read:   611
 reading restraint   419
 restraint successfully read:   613
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    2.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:15n.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint   420
 restraint successfully read:     1
 reading restraint   421
 restraint successfully read:     2
 reading restraint   422
 restraint successfully read:     3
 reading restraint   423
 restraint successfully read:     4
 reading restraint   424
 restraint successfully read:     5
 reading restraint   425
 restraint successfully read:     6
 reading restraint   426
 restraint successfully read:     7
 reading restraint   427
 restraint successfully read:     8
 reading restraint   428
 restraint successfully read:     9
 reading restraint   429
 restraint successfully read:    11
 reading restraint   430
 restraint successfully read:    12
 reading restraint   431
 restraint successfully read:    13
 reading restraint   432
 restraint successfully read:    14
 reading restraint   433
 restraint successfully read:    16
 reading restraint   434
 restraint successfully read:    17
 reading restraint   435
 restraint successfully read:    18
 reading restraint   436
 restraint successfully read:    20
 reading restraint   437
 restraint successfully read:    21
 reading restraint   438
 restraint successfully read:    22
 reading restraint   439
 restraint successfully read:    25
 reading restraint   440
 restraint successfully read:    26
 reading restraint   441
 restraint successfully read:    27
 reading restraint   442
 restraint successfully read:    30
 reading restraint   443
 restraint successfully read:    31
 reading restraint   444
 restraint successfully read:    32
 reading restraint   445
 restraint successfully read:    33
 reading restraint   446
 restraint successfully read:    34
 reading restraint   447
 restraint successfully read:    35
 reading restraint   448
 restraint successfully read:    36
 reading restraint   449
 restraint successfully read:    37
 reading restraint   450
 restraint successfully read:    38
 reading restraint   451
 restraint successfully read:    39
 reading restraint   452
 restraint successfully read:    40
 reading restraint   453
 restraint successfully read:    41
 reading restraint   454
 restraint successfully read:    42
 reading restraint   455
 restraint successfully read:    43
 reading restraint   456
 restraint successfully read:    45
 reading restraint   457
 restraint successfully read:    46
 reading restraint   458
 restraint successfully read:    47
 reading restraint   459
 restraint successfully read:    48
 reading restraint   460
 restraint successfully read:    49
 reading restraint   461
 restraint successfully read:    50
 reading restraint   462
 restraint successfully read:    51
 reading restraint   463
 restraint successfully read:    52
 reading restraint   464
 restraint successfully read:    53
 reading restraint   465
 restraint successfully read:    54
 reading restraint   466
 restraint successfully read:    55
 reading restraint   467
 restraint successfully read:    58
 reading restraint   468
 restraint successfully read:    59
 reading restraint   469
 restraint successfully read:    60
 reading restraint   470
 restraint successfully read:    61
 reading restraint   471
 restraint successfully read:    62
 reading restraint   472
 restraint successfully read:    63
 reading restraint   473
 restraint successfully read:    64
 reading restraint   474
 restraint successfully read:    65
 reading restraint   475
 restraint successfully read:    66
 reading restraint   476
 restraint successfully read:    67
 reading restraint   477
 restraint successfully read:    68
 reading restraint   478
 restraint successfully read:    69
 reading restraint   479
 restraint successfully read:    70
 reading restraint   480
 restraint successfully read:    71
 reading restraint   481
 restraint successfully read:    72
 reading restraint   482
 restraint successfully read:    73
 reading restraint   483
 restraint successfully read:    74
 reading restraint   484
 restraint successfully read:    75
 reading restraint   485
 restraint successfully read:    76
 reading restraint   486
 restraint successfully read:    77
 reading restraint   487
 restraint successfully read:    78
 reading restraint   488
 restraint successfully read:    79
 reading restraint   489
 restraint successfully read:    80
 reading restraint   490
 restraint successfully read:    81
 reading restraint   491
 restraint successfully read:    82
 reading restraint   492
 restraint successfully read:    83
 reading restraint   493
 restraint successfully read:    84
 reading restraint   494
 restraint successfully read:    85
 reading restraint   495
 restraint successfully read:    86
 reading restraint   496
 restraint successfully read:    87
 reading restraint   497
 restraint successfully read:    88
 reading restraint   498
 restraint successfully read:    89
 reading restraint   499
 restraint successfully read:    90
 reading restraint   500
 restraint successfully read:    91
 reading restraint   501
 restraint successfully read:    92
 reading restraint   502
 restraint successfully read:    93
 reading restraint   503
 restraint successfully read:    94
 reading restraint   504
 restraint successfully read:    95
 reading restraint   505
 restraint successfully read:    96
 reading restraint   506
 restraint successfully read:    97
 reading restraint   507
 restraint successfully read:    98
 reading restraint   508
 restraint successfully read:    99
 reading restraint   509
 restraint successfully read:   100
 reading restraint   510
 restraint successfully read:   101
 reading restraint   511
 restraint successfully read:   102
 reading restraint   512
 restraint successfully read:   103
 reading restraint   513
 restraint successfully read:   104
 reading restraint   514
 restraint successfully read:   105
 reading restraint   515
 restraint successfully read:   107
 reading restraint   516
 restraint successfully read:   108
 reading restraint   517
 restraint successfully read:   109
 reading restraint   518
 restraint successfully read:   111
 reading restraint   519
 restraint successfully read:   112
 reading restraint   520
 restraint successfully read:   113
 reading restraint   521
 restraint successfully read:   114
 reading restraint   522
 restraint successfully read:   116
 reading restraint   523
 restraint successfully read:   117
 reading restraint   524
 restraint successfully read:   119
 reading restraint   525
 restraint successfully read:   121
 reading restraint   526
 restraint successfully read:   122
 reading restraint   527
 restraint successfully read:   123
 reading restraint   528
 restraint successfully read:   124
 reading restraint   529
 restraint successfully read:   125
 reading restraint   530
 restraint successfully read:   126
 reading restraint   531
 restraint successfully read:   127
 reading restraint   532
 restraint successfully read:   128
 reading restraint   533
 restraint successfully read:   130
 reading restraint   534
 restraint successfully read:   131
 reading restraint   535
 restraint successfully read:   132
 reading restraint   536
 restraint successfully read:   134
 reading restraint   537
 restraint successfully read:   135
 reading restraint   538
 restraint successfully read:   136
 reading restraint   539
 restraint successfully read:   137
 reading restraint   540
 restraint successfully read:   138
 reading restraint   541
 restraint successfully read:   139
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    3.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:aro.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint   542
 restraint successfully read:     1
 reading restraint   543
 restraint successfully read:     3
 reading restraint   544
 restraint successfully read:     4
 reading restraint   545
 restraint successfully read:     5
 reading restraint   546
 restraint successfully read:     6
 reading restraint   547
 restraint successfully read:     7
 reading restraint   548
 restraint successfully read:     8
 reading restraint   549
 restraint successfully read:     9
 reading restraint   550
 restraint successfully read:    10
 reading restraint   551
 restraint successfully read:    11
 reading restraint   552
 restraint successfully read:    12
 reading restraint   553
 restraint successfully read:    13
 reading restraint   554
 restraint successfully read:    14
 reading restraint   555
 restraint successfully read:    16
 reading restraint   556
 restraint successfully read:    17
 reading restraint   557
 restraint successfully read:    18
 reading restraint   558
 restraint successfully read:    20
 reading restraint   559
 restraint successfully read:    22
 reading restraint   560
 restraint successfully read:    24
 reading restraint   561
 restraint successfully read:    25
 reading restraint   562
 restraint successfully read:    26
 reading restraint   563
 restraint successfully read:    27
 reading restraint   564
 restraint successfully read:    29
 reading restraint   565
 restraint successfully read:    30
 reading restraint   566
 restraint successfully read:    31
 reading restraint   567
 restraint successfully read:    33
 reading restraint   568
 restraint successfully read:    35
 reading restraint   569
 restraint successfully read:    38
 reading restraint   570
 restraint successfully read:    40
 reading restraint   571
 restraint successfully read:    41
 reading restraint   572
 restraint successfully read:    42
 reading restraint   573
 restraint successfully read:    43
 reading restraint   574
 restraint successfully read:    44
 reading restraint   575
 restraint successfully read:    45
 reading restraint   576
 restraint successfully read:    46
 reading restraint   577
 restraint successfully read:    47
 reading restraint   578
 restraint successfully read:    48
 reading restraint   579
 restraint successfully read:    49
 reading restraint   580
 restraint successfully read:    50
 reading restraint   581
 restraint successfully read:    53
 reading restraint   582
 restraint successfully read:    54
 reading restraint   583
 restraint successfully read:    55
 reading restraint   584
 restraint successfully read:    56
 reading restraint   585
 restraint successfully read:    57
 reading restraint   586
 restraint successfully read:    59
 reading restraint   587
 restraint successfully read:    61
 reading restraint   588
 restraint successfully read:    69
 reading restraint   589
 restraint successfully read:    71
 reading restraint   590
 restraint successfully read:    72
 reading restraint   591
 restraint successfully read:    73
 reading restraint   592
 restraint successfully read:    75
 reading restraint   593
 restraint successfully read:    77
 reading restraint   594
 restraint successfully read:    78
 reading restraint   595
 restraint successfully read:    80
 reading restraint   596
 restraint successfully read:    90
 reading restraint   597
 restraint successfully read:    91
 reading restraint   598
 restraint successfully read:    93
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as false
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 NOE>           @@$file 
 NOE>           set echo on message on end 
 NOE>        end loop read 
 NOE> 
 NOE>        set echo on message on end 
 NOE> 
 NOE>        averaging  DIST sum 
 NOE>        potential  DIST soft 
 NOE>        scale      DIST 1.0 
 NOE>        sqconstant DIST 1.0 
 NOE>        sqexponent DIST 2 
 NOE>        soexponent DIST 1 
 NOE>        rswitch    DIST 1.0 
 NOE>        sqoffset   DIST 0.0 
 NOE>        asymptote  DIST 2.0 
 NOE> 
 NOE>        msoexponent DIST 1 
 NOE>        masymptote  DIST 2.0 
 NOE>        mrswitch    DIST 1.0 
 NOE>end 
 CNSsolve> 
 CNSsolve>! define methyle groups and other equivalent groups - store in store9 
 CNSsolve>!   since store2 is used by calibrate.cns 
 CNSsolve>! we cannot do this before the data are read because the .tbl uses 
 CNSsolve>! store1 and store2 
 CNSsolve>@RUN:protocols/define_methyls_all.cns 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/protocols/define_methyls_all.cns opened.
 CNSsolve>!$Revision: 1.3 $ 
 CNSsolve>!$Date: 2016/02/17 13:48:30 $ 
 CNSsolve>!$RCSfile: rcsb104567.mr,v $ 
 CNSsolve> 
 CNSsolve>! define_methyls_all.cns 
 CNSsolve>! script to define methyle and other equivalent groups 
 CNSsolve>! called by calib.inp, merge.inp, refine.inp 
 CNSsolve>! by default, all methyle groups and all aromatics are 
 CNSsolve>!   defined 
 CNSsolve>! methyl.tbl is written by define_methyls_ini.cns 
 CNSsolve>!     ************************************ 
 CNSsolve>!     * Authors and copyright:           * 
 CNSsolve>!     * Michael Nilges, Jens Linge, EMBL * 
 CNSsolve>!     * No warranty implied or expressed * 
 CNSsolve>!     * All rights reserved              * 
 CNSsolve>!     ************************************ 
 CNSsolve> 
 CNSsolve>! first, define methyl groups into store1 
 CNSsolve>@@RUN:begin/methyls.tbl 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/begin/methyls.tbl opened.
 CNSsolve>do (store1 = 0) (all) 
 SELRPN:    593 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 5) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 59) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 63) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 174) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 335) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 339) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 416) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 430) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 444) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 458) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 515) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 543) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 560) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve> 
 CNSsolve>aria 
 ARIA arrays initialized
 ARIA>   analyse_restraints 
 ANALyse_restraints>      equivalent 
 EQUIvalent>         initialize 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 SELRPN:     13 atoms have been selected out of    593
 FOR ID LOOP: symbol LOOPID set to    5.00000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    59.0000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    63.0000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    174.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    335.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    339.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    416.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    430.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    444.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    458.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    515.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    543.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    560.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    593
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 SELRPN:      2 atoms have been selected out of    593
 FOR ID LOOP: symbol LOOPID set to    295.000     (real)
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 SELRPN:      2 atoms have been selected out of    593
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 SELRPN:      2 atoms have been selected out of    593
 EQUIvalent>         end loop arom 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 FOR ID LOOP: symbol LOOPID set to    316.000     (real)
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 SELRPN:      2 atoms have been selected out of    593
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 SELRPN:      2 atoms have been selected out of    593
 EQUIvalent>         end loop arom 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 EQUIvalent>         end loop arom 
 EQUIvalent>      end 
 CNTGRP: NHG2, NHY2   251  281
 ALLDSP: making space for   630 distances
 ALLDSP: maximum number of selections     6
 ARIASS: initializing distance list
 ARIASS: setting up population array
 ANALyse_restraints>   end 
 ARIA>end 
 CNSsolve> 
 CNSsolve>@RUN:begin/setup_swap_list.tbl 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/begin/setup_swap_list.tbl opened.
 CNSsolve>do (q = 0) (all) 
 SELRPN:    593 atoms have been selected out of    593
 CNSsolve>do (store1 = 0) (all) 
 SELRPN:    593 atoms have been selected out of    593
 CNSsolve>  do (store1 = 2) (resn leu and name cd1) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>  do (store1 = 2) (resn val and name cg1) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>  do (store1 = 3) (resn arg and name nh1) 
 SELRPN:      2 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 2) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 16) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 27) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 38) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 47) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 56) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 74) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 77) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 80) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 88) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 91) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 94) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 101) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 110) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 134) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 137) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 149) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 152) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 164) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 167) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 170) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 173) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 186) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 189) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 203) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 215) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 227) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 230) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 233) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 249) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 258) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 261) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 264) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 282) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 293) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 314) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 351) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 363) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 381) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 395) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 406) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 409) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 412) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 415) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 470) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 494) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 505) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 508) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 511) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 514) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 526) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 529) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 532) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 555) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 558) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 572) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 575) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 586) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 194) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 386) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 239) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 242) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 270) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do (store1 = 1) (id 273) 
 SELRPN:      1 atoms have been selected out of    593
 CNSsolve>do    (store9 = store1) (all) 
 SELRPN:    593 atoms have been selected out of    593
 CNSsolve> 
 CNSsolve>! accumulate the structures 
 CNSsolve> 
 CNSsolve>@PREVIT:file.cns(filenames=$filenames) 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/file.cns opened.
 CNSsolve>module(filenames;) 
 &_2_FILENAMES set to $_1_FILENAMES 
 CNSsolve>set message off echo off end 
 CNSsolve>evaluate (&filenames.bestfile_1="PREVIT:ww2_2.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_1 set to "PREVIT:ww2_2.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_2="PREVIT:ww2_4.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_2 set to "PREVIT:ww2_4.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_3="PREVIT:ww2_7.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_3 set to "PREVIT:ww2_7.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_4="PREVIT:ww2_15.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_4 set to "PREVIT:ww2_15.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_5="PREVIT:ww2_6.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_5 set to "PREVIT:ww2_6.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_6="PREVIT:ww2_8.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_6 set to "PREVIT:ww2_8.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_7="PREVIT:ww2_12.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_7 set to "PREVIT:ww2_12.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_8="PREVIT:ww2_20.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_8 set to "PREVIT:ww2_20.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_9="PREVIT:ww2_18.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_9 set to "PREVIT:ww2_18.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_10="PREVIT:ww2_5.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_10 set to "PREVIT:ww2_5.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_11="PREVIT:ww2_9.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_11 set to "PREVIT:ww2_9.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_12="PREVIT:ww2_10.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_12 set to "PREVIT:ww2_10.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_13="PREVIT:ww2_1.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_13 set to "PREVIT:ww2_1.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_14="PREVIT:ww2_16.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_14 set to "PREVIT:ww2_16.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_15="PREVIT:ww2_3.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_15 set to "PREVIT:ww2_3.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_16="PREVIT:ww2_13.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_16 set to "PREVIT:ww2_13.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_17="PREVIT:ww2_11.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_17 set to "PREVIT:ww2_11.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_18="PREVIT:ww2_14.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_18 set to "PREVIT:ww2_14.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_19="PREVIT:ww2_17.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_19 set to "PREVIT:ww2_17.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_20="PREVIT:ww2_19.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_20 set to "PREVIT:ww2_19.pdb" (string)
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>aria analyse_restraints reset end end 
 CNSsolve>aria countvio reset end end 
 ARIVIO: database initialized
 CNSsolve>evaluate ($count = 1) 
 EVALUATE: symbol $COUNT set to    1.00000     (real)
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_2.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_2.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_2.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_2.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 208.847, 1.31134, 13.4357, 1.13941, 170.656, 17.9463, 0, 3.22972, 1.12826, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.475909E-03,0.286061,0.151718,41.2084,1.124313E-02,0.555568,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:50:38       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      14.973 -15.316   3.610  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1      14.991 -14.335   5.068  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_2.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_2.float opened.
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 4    and name HB1 ) OR   ( segid "    " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HD1 ) OR   ( segid "    " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 15   and name HB1 ) OR   ( segid "    " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HD1 ) OR   ( segid "    " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 39   and name HB1 ) OR   ( segid "    " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.88087E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88034E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.88043E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.85962E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.87934E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.85144E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.87171E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.81928E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83504E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.82410E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.81738E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.77547E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.77820E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74236E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.79745E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.78587E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.80910E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.86282E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.79772E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.84160E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.78939E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.84995E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.80032E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.85285E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.86112E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78052E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.90989E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.75305E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.83712E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.81498E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.76955E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.76999E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.84643E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.89296E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.86469E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.83760E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.86855E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.81179E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.73930E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.82453E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.89412E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83694E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.83141E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.86249E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.78049E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.88357E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86137E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.78095E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.79939E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78185E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.84123E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.72759E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.74802E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.76538E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.80747E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.84712E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.82142E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74070E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.87354E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.79155E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.74755E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.87933E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.84736E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.78092E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.75846E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.86903E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.84268E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.90997E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80923E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.87010E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.84930E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.78837E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.85198E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.80157E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.84979E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.79007E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.81620E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.84344E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.85301E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.84597E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.74172E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.78677E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.86413E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.86172E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.83139E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.75625E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.82313E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.76513E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74699E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.82234E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.83985E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.82258E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.77147E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.77588E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.77853E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.78010E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.71835E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.78729E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83173E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83674E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.87046E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.84710E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83273E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85217E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.83204E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.87153E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80966E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.78849E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.80830E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.88820E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80633E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91066E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.83904E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79898E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.84079E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.79296E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.78982E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74391E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80403E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.87056E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85561E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77145E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.86810E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.86524E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.80997E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.81882E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.82804E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.83743E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.80845E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83222E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.83375E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.79048E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.81702E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.78670E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.87641E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.84614E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83823E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.81869E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.78569E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.80392E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.85956E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.81759E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.78493E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.87492E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.74359E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85933E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85985E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.77711E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.75515E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74337E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.76659E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.85700E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.90997E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.77150E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80779E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.82085E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.76000E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.85931E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81660E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.84193E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83140E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81711E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.78623E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85907E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.74253E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.78364E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.87680E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.86766E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.79965E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.78110E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.83120E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.76073E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.78621E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.82278E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.74731E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85504E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.88046E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.83521E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.86381E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.76613E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.74613E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.79876E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.81225E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.84390E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.84048E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.85059E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.74064E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.78405E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.77778E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85467E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83637E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.89442E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.75347E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.83651E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.84089E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85523E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.78891E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.85414E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.84206E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.76740E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.80645E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.83647E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.81182E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.87849E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83658E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.84846E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.85874E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.84592E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83180E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.86602E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.75728E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.86081E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87217E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.84262E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83173E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85786E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.83209E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91019E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.83213E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.85732E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.86476E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.75040E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.85705E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.84755E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.86637E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.83434E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.80820E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.88755E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.77007E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.85941E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91027E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.80770E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.80293E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.77495E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.77116E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.86005E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.78268E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.83206E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83204E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.79933E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.83335E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.82910E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.87492E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.84451E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.77066E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.74358E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.85859E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83562E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.83141E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.75629E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.76726E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.80058E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.83310E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.73562E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.77280E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.78882E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.76794E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.74931E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.86337E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87747E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79621E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.86988E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.83338E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79725E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90968E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.79724E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.83674E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.84748E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.83332E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.85025E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86850E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.88823E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90879E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.84690E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.79190E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.79883E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.83607E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.86975E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.86986E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.76204E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.75120E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90871E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.86926E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84934E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.74145E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.74782E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.86867E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83282E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83282E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.84683E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.87061E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90897E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.84026E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79601E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.80630E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.83255E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83395E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87088E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90963E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.87967E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.79635E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.84129E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.84082E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.87318E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.87359E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.84099E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87360E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79684E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84841E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79276E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.85185E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90940E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.87060E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83343E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83782E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.86494E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.80346E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.81573E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.84721E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.78000E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.85403E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.77109E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.80730E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.85283E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.78019E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.83905E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.76911E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.86088E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.85594E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.85861E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.80350E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.85966E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.86374E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.87130E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86261E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.83395E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.81143E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.84088E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.83242E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.77117E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.87057E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.85594E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.80412E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80895E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.76465E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74167E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.80941E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.82651E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.78247E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.77035E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83704E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.76695E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83969E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.79911E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.85090E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.86138E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.75475E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.85666E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.78073E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.86265E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.88087E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87359E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.89211E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.80969E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83504E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85546E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.80716E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.85802E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.76757E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87747E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.83760E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.86855E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.84262E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.78564E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91286E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.88755E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.85144E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83823E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.88933E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.84817E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.79345E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.85524E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.83974E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.86903E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.84268E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83675E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.88046E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.83120E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.76613E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.87868E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.77280E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.84597E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83562E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.78612E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.85756E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.88957E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.80779E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.85962E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.84712E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.87354E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.86234E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.81179E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.79621E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.84160E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.79772E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.83905E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.83961E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.82085E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.85861E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.87130E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.84519E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.88278E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87217E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88034E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78185E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83694E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.88043E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.86137E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.84123E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.78101E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.75151E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83674E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.87171E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.87153E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80966E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.83743E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77145E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.86469E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.82234E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.86494E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.81065E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.82804E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.75475E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.74669E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.78085E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.82041E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.87934E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78122E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.80820E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.77895E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.85794E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.79833E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.87641E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80772E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.85700E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.79048E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.83994E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.81738E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80895E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.80941E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.81225E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.79669E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.87933E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.84898E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83658E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.84592E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.78891E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.76740E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.82258E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.86107E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.87849E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.86426E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80923E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.87010E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.87134E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.84229E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.83854E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.87492E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83704E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.86055E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85431E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.82089E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.84995E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.80032E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.75120E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.87967E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.79635E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.82651E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.78247E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.75593E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.80157E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.85198E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.76358E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85427E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84128E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.75661E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84132E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.77192E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.82578E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.76469E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86091E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.74613E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86176E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86177E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86067E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.81384E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.78939E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.85285E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.78837E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.84930E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.79263E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.77147E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.79498E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.84193E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.80371E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76919E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.80719E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.77853E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.80554E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.84128E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84472E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.78735E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.75515E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.76413E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.77197E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.84736E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.83802E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.76659E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.77711E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76579E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.75904E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.75606E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_2.float opened.
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 4    and name HB1 ) OR   ( segid "    " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HD1 ) OR   ( segid "    " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 15   and name HB1 ) OR   ( segid "    " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HD1 ) OR   ( segid "    " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 39   and name HB1 ) OR   ( segid "    " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    2.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_4.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_4.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_4.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_4.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 216.691, 1.33051, 13.9664, 2.30969, 172.688, 20.065, 0, 4.17957, 2.15152, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.486657E-03,0.291656,0.216009,41.5424,1.278999E-02,0.767193,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:52:06       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      16.908  -6.404   4.105  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1      16.143  -6.678   5.663  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_4.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_4.float opened.
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 5    and name HA1 ) OR   ( segid "    " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HD1 ) OR   ( segid "    " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HG1 ) OR   ( segid "    " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 39   and name HB1 ) OR   ( segid "    " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.88031E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88002E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.88063E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.85212E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.87898E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.88043E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.82941E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.82177E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83631E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.83776E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.81085E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.78139E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.77884E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74272E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.76835E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.77081E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.80224E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.84483E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.79729E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.83980E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.79014E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.84895E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.79979E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.85474E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.86280E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78107E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.90991E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.75192E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.82306E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.81643E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.77870E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.78010E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.88183E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.87062E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.83717E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.86801E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.82910E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.81337E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.74028E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.81859E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.88984E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.86101E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.86063E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.76142E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.76761E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80642E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.80637E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.84481E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78123E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.84630E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.72781E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.75067E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.76447E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.79857E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.84286E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.81943E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74123E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.89074E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.76878E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.75352E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.88184E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83535E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.83982E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.78019E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.75866E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.86794E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.84235E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.90993E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80774E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.85931E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.79838E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.84454E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.83481E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.81233E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.78893E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.85233E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.86428E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.82259E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.75621E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.87325E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.82563E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.85861E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.76774E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.82267E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.76475E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74632E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.82096E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.81733E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.82541E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.77818E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.77578E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.77138E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.77583E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.71826E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.76230E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83206E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83791E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.86895E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.85270E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85211E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.83415E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.87340E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.81030E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.78887E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.80660E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.88479E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80584E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91074E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.83857E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79906E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.84144E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.79496E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.79272E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74184E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80409E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.86052E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85531E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85547E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77264E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.86747E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.86481E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.81352E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.81909E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.83669E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.84313E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.78873E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83219E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.85912E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.80366E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.86327E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.76360E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.86582E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.80473E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83839E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.75358E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.80452E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.86020E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.80885E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.79689E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.81166E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.77126E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85900E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85941E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.84919E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.81080E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.75265E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.79539E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.83324E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.76105E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80806E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.79415E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.77806E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.86007E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81098E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.84096E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.83843E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83136E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81880E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.79025E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.86008E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.78169E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.80176E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.87756E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.84127E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.78138E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.85318E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.79643E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.78970E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.82376E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.76467E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.87964E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.83507E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.86360E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.76942E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.73880E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.79886E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.80951E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.84343E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.83635E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.85607E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.78405E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.74054E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.77747E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85466E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83604E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.89295E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.86192E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.83236E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.79865E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.83976E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85517E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85531E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.78791E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.83547E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.86874E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.77028E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.75172E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.72040E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.86565E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.88048E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.85260E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.86041E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.85587E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91003E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.86495E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.85881E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.75786E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.85581E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87239E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83230E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85450E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.86649E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.85723E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.85766E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.80693E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.85340E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.85314E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83549E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.74845E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.82659E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.85266E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.87211E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.83266E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.80341E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.81755E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.76930E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91039E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.80952E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.80341E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.75273E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.76951E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.85399E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83328E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.85962E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.83207E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.84794E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.84196E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.82441E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.88088E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.83825E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.84188E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.77126E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.74514E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.85864E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.86108E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.75344E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.79874E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.80161E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85481E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.83420E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.73048E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.77732E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.83439E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83916E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.82791E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.74987E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.86700E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.86044E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87841E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.80042E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.83331E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.86984E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.83571E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90963E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.83686E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.79735E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.86993E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.86984E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.83273E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86826E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.88703E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90881E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.85606E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.79879E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.79199E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79710E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.83333E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.84736E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.76919E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.75350E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90863E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.86922E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84918E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.75422E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.75701E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.86883E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.84820E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.86988E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90889E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.83704E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79709E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.81106E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.83479E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83347E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87008E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90965E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.86328E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.78890E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.84045E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.84277E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.87268E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86914E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.84457E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87217E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79761E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84867E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79218E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90888E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.86967E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83308E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83836E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.87299E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.84049E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.81534E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.84239E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.82630E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.76204E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.87883E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.79010E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.80139E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.74695E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.88121E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.80073E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.85756E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.80802E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86649E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.83347E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.87839E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86158E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.78655E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.83921E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.80769E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.85670E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.77002E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.77083E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.85963E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80834E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.83041E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74175E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.87828E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.83929E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.78568E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.76955E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.87225E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.78103E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83512E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.79085E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.84611E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.86421E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.85758E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.75156E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.77737E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.78705E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.88031E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86914E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.86903E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.80892E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83631E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85072E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.86907E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.81354E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.77496E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87841E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.83717E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.86801E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.78884E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91287E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.81755E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.88043E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83839E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.89514E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.84117E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.79120E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.86163E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.83901E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.86794E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.84235E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83606E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.87964E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.85318E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.76942E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.77562E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.77732E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.82259E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.78746E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.85262E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.84096E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.89093E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.80806E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83535E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.85212E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.84286E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.89074E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.86496E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83613E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.81337E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.80042E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.82910E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.83980E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.79729E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.81797E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.79415E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.85756E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.80802E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.87839E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.84757E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.89008E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87239E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88002E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83916E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78123E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.83878E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.88063E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.80642E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.84630E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.78266E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.76100E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83791E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.82941E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.87340E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.81030E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.84313E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77264E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.87062E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.82096E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.87299E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.80138E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.83669E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.75156E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.75199E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.78516E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.81101E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.87898E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83549E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78744E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.80341E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.78837E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.85284E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.78107E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.86582E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80027E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.83324E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.80366E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.84163E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.81085E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80834E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.87828E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.80951E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.83097E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.88184E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.84749E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.85587E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.78791E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.77028E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.82541E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.85955E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.88048E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.86436E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80774E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.87020E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.79874E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.83972E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.88088E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.87225E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.82618E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85438E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.82746E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.84895E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.79979E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.75350E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.86328E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.78890E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.83929E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.78568E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.76769E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.84454E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.79838E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.89100E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85434E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84128E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.74157E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84127E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.77529E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.80662E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.76131E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86095E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.73880E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86182E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86176E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86065E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.79940E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.79014E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.85474E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.85931E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.77729E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.77818E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.79425E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.83843E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.80722E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76993E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.80062E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.77138E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.74972E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.84844E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84471E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.78789E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.81080E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.76043E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.77634E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.83982E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.75800E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.79539E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.84919E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76593E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.76501E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.75501E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_4.float opened.
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 5    and name HA1 ) OR   ( segid "    " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HD1 ) OR   ( segid "    " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HG1 ) OR   ( segid "    " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 39   and name HB1 ) OR   ( segid "    " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    3.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_7.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_7.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_7.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_7.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 224.612, 1.60621, 17.6919, 2.76893, 171.86, 25.3193, 0, 2.99094, 2.37515, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.633439E-03,0.328258,0.236511,41.7158,1.081952E-02,0.806078,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:54:37       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1       8.096 -15.934  -4.572  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1       7.725 -17.615  -4.218  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_7.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_7.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HB1 ) OR   ( segid "    " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.87973E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.84833E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.88222E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.85687E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.87329E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.81948E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83489E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.83735E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.81083E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.74714E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.77493E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74146E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.76241E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.78295E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.80411E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.85245E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.79766E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.84131E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.79153E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.84656E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.79899E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.85773E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77668E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.74901E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.83065E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.81275E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.75780E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.76082E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.84177E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.88507E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.86842E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83155E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.83742E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.86844E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.83030E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.81286E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.74097E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.80914E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.87114E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83805E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.85968E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.77049E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.84482E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80719E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.81157E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.82238E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78349E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.86126E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.75083E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.75248E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.83104E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.79176E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.83895E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.82566E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74117E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.89203E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.79009E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.76637E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.87992E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83556E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.82283E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77899E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.75012E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.86966E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.84377E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.91017E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.84323E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.80788E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.85920E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.79265E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.84416E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.79829E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91015E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.83743E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.80983E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.78629E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.85869E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.86701E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.84494E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.74191E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.78446E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.86028E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.83131E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.75761E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.82357E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.77343E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74572E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.86432E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.77532E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.82944E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.78338E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.75216E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.75079E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.86557E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83230E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83626E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.87239E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.84567E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83238E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85344E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.82245E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.86830E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80828E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.78379E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.80878E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.88950E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80644E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91073E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.84189E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79886E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.83858E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.79433E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.78782E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74362E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80397E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85542E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77518E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.87079E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.85988E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.80325E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.85263E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.85254E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.83925E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.81225E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.79936E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.85496E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.79742E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.78419E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.86913E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.87761E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83684E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.82788E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.80500E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.78612E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.86205E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.79011E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.83422E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.81300E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.74254E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85578E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85560E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.76570E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.75473E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74145E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.76222E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.80648E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.91003E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.76946E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.84693E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.71919E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81359E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.83790E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.84048E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81565E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.78906E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85823E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.76531E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.75341E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.87675E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.86650E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.79923E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.78112E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.81463E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85485E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.76105E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.80553E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.82991E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.78085E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85482E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.85721E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.83498E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.86047E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.80136E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.73843E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.79859E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.86852E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.87095E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.79877E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.83201E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.77927E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.74103E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.80910E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85472E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83591E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.89294E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.86238E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.75115E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.83902E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.79882E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85536E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85530E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.82630E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.80306E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.82996E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.77086E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.81860E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.84743E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.76972E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.87633E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83628E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.85053E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.86020E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.85665E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83193E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.86623E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.86098E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.76392E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.84233E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87243E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.83829E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85647E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.80692E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.86831E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.83259E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.86573E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.86448E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.78364E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.83500E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.85150E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.86941E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.83278E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.80500E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.87362E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.76903E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.85582E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91030E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.80797E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.80444E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.74848E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.76646E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.85651E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83267E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.82642E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.86197E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.85458E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.83532E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.80833E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.86713E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.86921E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.85267E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.78544E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.75915E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.85561E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83576E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.83141E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.74874E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.83406E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.80154E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85481E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.83379E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.73157E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.77714E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.80019E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83608E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.85039E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.74999E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.86212E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.86606E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87845E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79922E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.83359E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.87034E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79859E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90957E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.83498E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.79657E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.84786E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86841E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.83886E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90871E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.80632E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.83625E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.79749E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79186E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.86964E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.86950E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.75440E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.74400E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.86946E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84929E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.74976E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.75454E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.86893E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83298E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83298E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.84600E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.87103E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90907E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.82219E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79532E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.84331E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.83094E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83436E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87129E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90954E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.86219E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.78766E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.89033E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.83972E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.87332E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86970E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.84451E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87265E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79767E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84838E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79303E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.82662E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90861E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.86955E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83782E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.87130E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.86795E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.84917E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.84186E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.78547E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.77539E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.82185E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.85402E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.80393E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.83901E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.75216E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.86349E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.85960E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.80415E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.84692E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.80772E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.80258E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86007E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.86355E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.82705E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86031E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.86230E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.81164E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.81058E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.85734E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.76880E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.79578E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.86106E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.83765E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80806E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.82936E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74152E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.88915E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.81155E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.77606E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83874E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.76545E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83708E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.83108E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.84506E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.83142E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.86034E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.75137E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.74156E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.83406E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.87973E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86970E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.85472E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.81196E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83489E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85664E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.79094E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.79841E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.84538E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87845E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.83742E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.86844E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.83829E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.78791E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91277E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.87362E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.85687E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83684E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.91774E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.83451E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.78847E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.84121E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.86966E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.84377E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83590E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.85721E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.81463E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.80136E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.85116E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.77713E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.84494E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83576E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.78753E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.86802E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.83790E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.83494E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.84693E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83556E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.84833E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.83895E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.89203E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.86380E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83593E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.81286E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.79922E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.83030E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.84131E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.79766E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.83901E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.84483E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.84692E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.80772E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.82705E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.84725E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.89260E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87243E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83608E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78349E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.83721E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83805E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.80719E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.86126E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.78346E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.76519E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83626E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.87329E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.86830E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80828E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.83925E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77518E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.86842E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.87130E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.81169E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.85254E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.75137E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.74153E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.77969E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.84317E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.88222E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78459E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.80500E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.78550E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.85587E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.78384E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.86913E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.85939E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.80648E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.85496E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.84333E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.81083E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80806E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.88915E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.86852E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.74059E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.87992E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.84676E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83628E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.85665E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.82630E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.77086E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.77532E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.86166E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.87633E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.86444E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.84323E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.80788E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.87026E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.79513E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.84047E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.86713E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83874E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.84040E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85430E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.82907E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.84656E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.79899E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74400E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.86219E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.78766E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.81155E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.75512E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.79829E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84416E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.89209E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85439E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84119E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.74196E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84150E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.77252E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.82060E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.75434E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86094E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.73843E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86174E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86068E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.80401E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.79153E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.85773E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.79265E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.85920E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.79531E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.82944E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.80929E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.84048E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.78064E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.75276E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.82397E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.78338E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.81360E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.86272E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84468E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.78738E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.75473E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.76151E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.79086E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.82283E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.79873E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.76222E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.76570E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76535E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77815E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.75848E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_7.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HB1 ) OR   ( segid "    " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH11) OR   ( segid "    " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    4.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_15.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_15.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_15.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_15.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 470.115, 3.67157, 60.0035, 25.6299, 184.181, 47.2182, 0, 55.5306, 93.8796, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 2.469606E-03,0.604528,0.719565,41.9215,8.90368E-02,5.06778,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 1, 6, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:59:39       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1       5.988  11.409   3.175  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1       7.555  12.203   3.214  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_15.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_15.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HD1 ) OR   ( segid "    " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.87620E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88002E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.87962E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.85907E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.87952E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.86731E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.87263E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.80820E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83606E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.83594E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.81127E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.77624E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.78270E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74644E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.77764E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.78890E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.79488E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.84317E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.80821E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.86408E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.79327E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.84387E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.79824E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.86076E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.85645E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78492E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.90993E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.75784E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.85055E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.81815E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.75888E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.76032E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.84478E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.89349E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.87014E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83172E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.87136E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.84020E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.82269E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.81605E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.69483E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.79025E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.79439E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83556E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.86130E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.86005E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.76251E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.82805E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83657E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.78103E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.82098E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.80447E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.80441E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.79332E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.74785E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.85774E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.82272E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.83404E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.80798E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74146E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.87358E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.78817E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.74862E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.88161E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83564E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.83417E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77966E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.75277E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.84733E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.86398E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80481E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.84798E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.85926E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.84831E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.79989E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91042E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.84197E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.78345E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.82204E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.88182E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.85703E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83246E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.84396E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.75558E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.76733E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.73430E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.83182E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.86095E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.76713E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.83152E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.75933E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74735E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.84263E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.85227E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.81998E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.74296E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.77326E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.72249E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.74259E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.71582E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.72242E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83249E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.86315E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.84196E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83250E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85241E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.82400E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.86478E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80752E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.78289E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.81135E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.89835E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.81098E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91074E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.84209E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79886E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.83850E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.79761E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.78238E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74769E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80393E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.86603E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85547E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77033E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.87113E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.86071E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.80644E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.83664E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.81718E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.82557E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.81713E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.78905E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.82968E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.79922E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.81528E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.87753E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.83689E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83576E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.77629E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.80422E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.78573E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.86338E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.79369E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.82759E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.81325E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.75558E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85860E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85824E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.81148E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.74972E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74271E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.87789E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.77083E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.85717E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.82933E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.75850E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.86128E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81389E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.84286E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.83397E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83116E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81513E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.79950E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85827E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.74226E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.77929E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.86169E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.83693E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.87238E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.86237E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.82958E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85759E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.86837E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.80314E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.87899E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.82656E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85524E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.86347E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.84013E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.84357E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.86718E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.82344E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.80540E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.87664E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.83506E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.83773E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.85474E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.78397E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.74460E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.77545E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85467E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83502E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.79973E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.83486E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.74402E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.82021E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.85372E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85663E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85549E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.80212E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.83104E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.85246E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.75891E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.75692E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.72231E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.73612E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.88306E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.87316E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.85813E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.83241E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.84945E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83133E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.85498E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.75412E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.86295E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87095E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.83846E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83135E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85879E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.82561E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91029E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.83226E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.83225E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.85827E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.86539E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.83203E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83537E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.78433E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.82498E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.86097E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.82918E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.80006E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.85749E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.77505E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.83219E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.80154E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.85229E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.81179E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.87642E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.86418E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.86036E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.78533E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.83193E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.86136E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.86522E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.71271E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.80229E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.80834E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.86863E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.87102E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.85098E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.77842E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.75550E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.86313E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83630E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.83100E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.74826E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.75043E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.81180E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85491E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.85252E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.76024E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.74630E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.73010E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83608E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.78321E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.75188E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.87191E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.86600E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87216E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79440E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.83267E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.86864E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79751E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90936E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.83872E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.79966E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.83566E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.84257E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.83319E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86921E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.85104E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90889E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.79996E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.82443E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.79299E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79522E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.87218E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.87219E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.75395E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.74466E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90877E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.87060E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84804E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.74383E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.75368E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.86988E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83348E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83348E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.84461E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.87210E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90919E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.81366E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79403E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.85876E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.82612E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83524E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87217E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90986E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.87191E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.79478E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.86489E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.83895E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.87336E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86365E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.84625E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87111E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79744E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84794E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79472E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.85129E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90840E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.86998E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83322E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83521E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.87755E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.80350E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.79464E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.85187E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.78272E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.84131E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.77098E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.81250E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.84734E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.75459E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.83990E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.76728E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.86279E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.85151E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.80771E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.85395E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.80505E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86176E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.86166E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.88449E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86394E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.84991E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.80653E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.76799E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.86758E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.85363E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.80493E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80999E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.76451E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74361E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.80487E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.80453E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.76946E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.82147E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.77166E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83889E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.78412E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.85801E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.85802E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.76121E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.74152E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.80444E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.87620E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86365E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.87202E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.80900E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83606E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85112E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.80933E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.86680E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.76918E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87216E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.87136E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84020E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.83846E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.79037E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91282E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.85749E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.86731E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83576E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.90193E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.86512E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.80564E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.84538E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.84282E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.84733E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.86398E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83945E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.86347E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.82958E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.86718E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.78312E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.74630E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.84396E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83630E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.79183E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.84837E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.84286E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.80202E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.85717E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83564E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.85907E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.83404E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.87358E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.84122E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.81605E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.79440E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.82269E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.86408E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.80821E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.83990E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.78881E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.82933E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.80771E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.85395E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.88449E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.84692E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.86815E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87095E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88002E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83608E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.80447E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.82192E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83556E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.87962E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.83657E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.80441E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.78289E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.75756E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.87263E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.86478E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80752E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.82557E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77033E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.87014E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.84263E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.87755E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.79017E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.81718E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.76121E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.74305E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.77944E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.81818E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.87952E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83537E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78109E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.80006E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.83501E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.84713E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.78571E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.87753E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.85608E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.82968E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.84424E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.81127E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80999E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.80487E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.87664E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.74764E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.88161E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.78401E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.84945E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.80212E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.75891E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.81998E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.86178E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.88306E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.83561E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80481E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.84798E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.86512E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.79249E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.83979E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.86863E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.82241E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85428E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.87583E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.84387E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.79824E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74466E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.87191E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.79478E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.80453E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.76946E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.75527E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.79989E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84831E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.77460E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85405E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84119E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.77673E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84059E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.76183E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.82596E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.74021E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.82344E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86168E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86166E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86064E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.80840E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.79327E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.86076E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.85926E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.81664E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.74296E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.89906E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.83397E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.74105E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.74549E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.81139E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.72249E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.77638E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.82617E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84470E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.79035E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.74972E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.76093E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.77703E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.83417E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.83483E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.87789E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.81148E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76583E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.76776E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.75670E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_15.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HD1 ) OR   ( segid "    " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HB1 ) OR   ( segid "    " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HD1 ) OR   ( segid "    " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HB1 ) OR   ( segid "    " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    5.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_6.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_6.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_6.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_6.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 493.48, 6.98944, 66.5706, 24.8846, 195.475, 76.234, 0, 102.556, 20.7708, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 3.407398E-03,0.636751,0.709025,41.7579,0.120244,2.38374,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 4, 4, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:53:50       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1       7.379   0.947  11.171  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1       7.124  -0.535  12.079  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_6.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_6.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 4    and name HB1 ) OR   ( segid "    " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 5    and name HA1 ) OR   ( segid "    " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HB1 ) OR   ( segid "    " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HG1 ) OR   ( segid "    " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HB1 ) OR   ( segid "    " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 27   and name HB1 ) OR   ( segid "    " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.88185E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.87973E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.88045E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.85013E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.87376E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.86594E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.86830E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.79327E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83628E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.84192E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.80969E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.77853E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.78080E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74106E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.76462E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.78096E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.80692E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.86898E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.80020E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.84748E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.80506E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.83038E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.79693E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.86509E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.85655E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.81549E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.78839E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.77533E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.86613E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.77056E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.81318E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.88721E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.81693E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.85789E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.86339E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.82956E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.81241E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.70347E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.75748E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.75714E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.85905E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.76963E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.84904E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.84079E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.78026E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.79852E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78321E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.85365E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.79140E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.74363E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.87600E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.80472E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.83968E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.81894E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74009E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.88380E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.75220E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.75228E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.88026E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83510E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.83983E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77923E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83259E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.73881E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.87111E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.83448E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.91031E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80345E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.83925E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.79156E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.85768E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.79869E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.84572E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91003E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.79327E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.81397E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.78312E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.84128E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.86911E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.84336E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.74175E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.75985E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.77019E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.86002E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.76756E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.82384E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.78106E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74683E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.83433E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.80964E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.74877E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.77540E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.73846E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.76941E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.71675E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.74249E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83232E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83725E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.91243E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.86983E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.85523E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.87781E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.76769E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.84685E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80147E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.80807E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.78717E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.81849E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.78112E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91042E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.85228E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.80098E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.84906E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.81248E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.84133E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74302E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80258E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.85293E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85812E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85737E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77164E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.79959E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.77747E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.75532E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.76029E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.85674E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.77671E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.71386E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.84192E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.79788E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.85748E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.79832E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.83640E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.86546E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.85214E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83574E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.77807E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.80552E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.78626E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.86524E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.79087E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.82477E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.81267E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.76554E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85740E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85693E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.84601E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.76122E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74142E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.77901E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.84371E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.90996E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.76372E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80835E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.79149E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.75891E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.85710E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81074E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.83989E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.84420E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83237E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.82054E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.78896E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85264E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.79094E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.75801E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.87808E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.84100E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.78106E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.85206E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.79661E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.79086E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.81302E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.75350E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85477E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.87925E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.83669E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.86500E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.76785E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.75222E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.79888E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.82712E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.79815E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.84005E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.73990E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.70961E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.80201E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85489E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.87335E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.86236E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.79400E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.79874E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.83991E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85527E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85560E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.79066E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.83500E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.86392E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.77213E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.74747E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.72012E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79872E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.88097E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83698E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.78853E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.86302E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.83182E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.84234E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91000E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.86727E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.78874E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.89365E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87226E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.86644E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85780E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.80749E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91033E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.86967E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.83303E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.86557E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.86270E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.86000E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.78484E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.88648E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.83207E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.81988E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.86615E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.83943E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.81041E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.75362E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.86109E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91028E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.79829E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.82072E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.74271E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.75745E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.86160E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.78662E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.86039E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.85834E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83332E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.76952E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.84491E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.80685E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.86428E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.87089E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.85183E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.77591E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.75829E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.80946E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83650E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.83140E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.74790E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.72661E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.84101E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85496E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.76804E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.72860E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.75213E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.74306E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83863E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.82552E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.75157E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.87385E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87150E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79193E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.86734E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79854E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90932E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.83902E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.79876E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.83474E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.84392E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.83269E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86853E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.84582E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90873E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.81512E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.82929E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.79441E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79377E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.87159E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.87150E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.82430E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.77332E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90984E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.86877E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84584E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.77271E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.82808E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.87054E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83360E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83360E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.85185E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.86871E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.79092E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.80162E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.88704E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.83905E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83355E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.86759E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.77935E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.75628E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.86085E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.85018E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.86531E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86692E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.86966E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.85193E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.83660E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84643E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79181E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.82285E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90847E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.87142E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83404E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83529E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.86864E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.84205E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.86159E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.83675E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.83857E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.72485E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.85709E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.80936E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.80036E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.74567E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.84264E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.77095E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.85897E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.82429E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.85856E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.80805E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.80570E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86557E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.85764E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.82135E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86063E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.85406E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.81118E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.82518E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.85721E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.76865E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.77798E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.85784E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.80739E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80817E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.81995E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74169E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.89348E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.86372E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.79544E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.77537E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83669E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.75967E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83570E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.76972E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.84481E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.86448E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.85735E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.74831E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.74170E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.86102E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.88185E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86692E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.85844E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.80885E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83628E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85058E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.86507E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.81525E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.78572E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87150E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.86339E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86644E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.77787E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91278E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.81041E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.86594E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83574E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.90118E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.85482E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.79563E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.85566E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.83802E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.87111E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.83448E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83527E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.87925E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.85206E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.76785E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.77492E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.75213E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.84336E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83650E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.79486E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.85519E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.83989E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.89106E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.80835E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83510E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.85013E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.83968E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.88380E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.87483E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83528E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.81241E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.79193E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.82956E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.84748E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.80020E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.84264E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.81664E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.79149E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.85856E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.80805E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.82135E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.82461E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.88717E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87226E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.87973E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83863E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78321E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.82014E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.88045E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.84079E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.85365E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.78795E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.76538E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83725E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.86830E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.84685E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80147E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.77671E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77164E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.85789E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.83433E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.86864E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.79079E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.85674E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.74831E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.80705E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.77934E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.84015E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.87376E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.79021E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.83943E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.84937E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.79868E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.77328E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.86546E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80366E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.84371E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.85748E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.84420E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.80969E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80817E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.89348E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.82712E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.74047E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.88026E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.80575E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83698E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.84234E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.79066E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.77213E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.87145E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.88097E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.84758E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80345E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.83925E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.86406E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.84714E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.83866E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.86428E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83669E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.85386E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85443E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.82835E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.83038E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.79693E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.77332E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.77935E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.75628E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.86372E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.79544E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.75768E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.84572E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.79869E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.87272E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85432E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84133E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.75950E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84137E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.75694E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.79659E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.77706E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86105E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.75222E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86185E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86174E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86065E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.79779E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.80506E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.86509E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.85768E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.79156E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.77948E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.74877E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.84688E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.84420E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.75434E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.74163E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.86818E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.73846E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.75258E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.82664E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84471E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.79353E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.76122E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.74486E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.78007E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.83983E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.78446E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.77901E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.84601E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76603E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77398E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.75782E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_6.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 4    and name HB1 ) OR   ( segid "    " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 5    and name HA1 ) OR   ( segid "    " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HB1 ) OR   ( segid "    " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HG1 ) OR   ( segid "    " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HG1 ) OR   ( segid "    " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HD1 ) OR   ( segid "    " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HB1 ) OR   ( segid "    " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HD1 ) OR   ( segid "    " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH11) OR   ( segid "    " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HH21) OR   ( segid "    " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 23   and name HG11) OR   ( segid "    " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 27   and name HB1 ) OR   ( segid "    " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    6.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_8.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_8.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_8.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_8.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 512.73, 6.37158, 68.2139, 20.3486, 188.793, 48.7197, 0, 95.801, 84.483, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 3.253309E-03,0.644562,0.641155,41.9605,9.839861E-02,4.80747,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 4, 6, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:56:24       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      -2.090  20.496  -1.058  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1      -0.988  20.070  -2.358  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_8.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_8.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 10   and name HB1 ) OR   ( segid "    " and resid 10   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HB1 ) OR   ( segid "    " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HE1 ) OR   ( segid "    " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.87641E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88091E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.87740E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.84379E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.88059E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.87871E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.83251E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.78608E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.82723E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.81527E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.77951E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.78002E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74378E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.77399E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.78506E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.78515E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.77867E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.86741E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.85236E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.79040E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.85572E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.81109E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.83593E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.85582E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.79370E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.91061E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.77184E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.82113E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.81325E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.74070E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.77763E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.90953E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.81741E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.88051E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.87148E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.84190E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.81285E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.83432E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.70683E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.76836E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.78446E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.86277E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.85896E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.75815E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.81399E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80161E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.80503E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.82020E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78027E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.83449E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.72680E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.75485E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.82485E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.85806E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.79615E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.82276E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74074E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.90436E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.80978E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.77280E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.88167E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83758E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.80099E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77694E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.87570E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.74132E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.84088E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.91018E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80646E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.86653E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.79607E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.84309E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.79809E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.80432E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.78203E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.83536E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.83447E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.85088E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83436E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.84320E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.75778E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.77125E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.74442E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.86051E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.77078E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.83137E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.75333E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.78106E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.87418E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.83706E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.81667E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.77698E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.78136E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.73219E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.76725E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.72376E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.75791E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83496E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.85353E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.86047E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85386E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.81791E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.86226E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80634E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.79416E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.81157E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.90309E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.81914E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91079E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.84324E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79887E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.83754E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.84563E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.78187E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74790E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80377E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.85238E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85531E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.77316E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.86950E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.84877E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.81416E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.80380E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.79285E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.82856E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.81032E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83198E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.79754E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.85694E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.80508E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.78337E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.86500E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.82582E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83660E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.77810E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.80528E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.78602E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.86489E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.80078E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.82317E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.83638E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.74128E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.85878E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.85840E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.83371E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.78173E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74261E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.77343E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.84023E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.90998E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.75778E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80817E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.86669E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.75899E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.80907E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.84240E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.83181E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83203E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81250E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.80425E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85573E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.80205E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.75147E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.85867E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.83915E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.85746E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.87181E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.82512E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85500E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.86580E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.80569E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.84435E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.90354E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85499E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.88561E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.84741E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.83259E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.86448E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.84522E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.84657E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.81175E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.84326E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.84139E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.85058E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.78243E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.83961E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.77789E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85474E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83645E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.80300E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.83279E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.73824E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.84884E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.82333E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85532E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85594E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.78150E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.85035E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.79287E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.77867E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.84845E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.75786E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.72974E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.88131E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83551E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.82926E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.83529E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.87414E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.86624E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91035E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.85342E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.83209E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.86058E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.73904E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.87089E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87068E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.83746E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83133E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.85621E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.80419E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.86568E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.83226E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.86019E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.86285E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.85985E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83547E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.78093E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.88345E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.82003E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.86719E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.83750E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.79508E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.77243E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.86003E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.79760E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.80869E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.75025E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.75486E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.86052E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.79318E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.83207E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.85603E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83424E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.70114E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.85062E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.81803E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.88040E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.84153E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.83920E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.77088E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.74269E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.85888E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83657E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.83091E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.74847E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.76015E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.80901E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85509E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.85173E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.74910E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.75060E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.73855E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.78214E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.75575E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.86365E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.83149E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87586E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79399E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.86937E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.83295E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79341E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90941E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.79832E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.83750E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.87120E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.87121E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.84929E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86947E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.84215E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90894E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.79082E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.79477E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.82949E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79777E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.84491E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.83437E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.90111E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.81140E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90930E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.87321E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.83734E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.74192E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.74220E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.87340E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.84117E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.84117E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.83470E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.87188E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90923E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.82695E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79173E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.83035E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.79871E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.84615E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87177E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90996E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.80071E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.76667E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.87168E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.83326E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.86956E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86634E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.83945E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87331E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79742E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.84852E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.81747E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90924E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.87031E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.83344E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83590E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.88210E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.86392E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.83603E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.76490E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.84454E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.78573E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.78046E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.77605E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.82404E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.85308E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.70226E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.84386E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.78374E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.85988E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.82760E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.85571E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.80815E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.86059E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86233E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.86105E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.82089E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.85711E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.81149E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.83884E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.85933E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.76961E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.85905E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.86509E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.83224E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.80860E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.80871E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74107E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.90316E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.85867E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.79579E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.79262E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.78285E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.83537E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.77489E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.84706E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.86431E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.85752E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.74079E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.76176E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.83486E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.87641E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86634E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.89667E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.80881E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.85103E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.86716E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.81476E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.78725E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87586E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.87148E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84190E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.83746E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.79403E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91288E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.79508E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.87871E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83660E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.87669E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.80755E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.86270E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.84130E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.84401E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.84088E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83919E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.88561E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.82512E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.86448E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.78682E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.75060E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.84320E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83657E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.79257E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.84149E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.84240E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.88970E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.80817E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83758E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.84379E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.79615E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.90436E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.84770E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83821E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.83432E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.79399E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.81285E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.85236E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.86741E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.84386E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.80614E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.86669E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.85571E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.80815E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.82089E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.85519E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.86814E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87068E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88091E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78027E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.83443E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.87740E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.80161E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.83449E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.79335E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.76391E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83496E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.83251E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.86226E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80634E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.82856E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.77316E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.88051E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.87418E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.88210E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.80115E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.79285E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.74079E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.76458E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.78352E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.83607E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.88059E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83547E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78436E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.83750E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.85226E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.79841E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.80258E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.86500E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80269E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.84023E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.85694E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.84160E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.81527E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.80860E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.90316E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.81175E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.78017E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.88167E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.77111E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83551E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.86624E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.78150E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.77867E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.81667E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.86856E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.88131E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.83812E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80646E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.86400E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.79195E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.84090E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.88040E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.84896E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85358E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.76149E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.85572E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.81109E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.81140E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.80071E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.76667E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.85867E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.79579E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.74551E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.79809E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84309E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.77049E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85403E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.83969E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.73921E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84065E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.75214E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.81177E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.78311E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86116E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.84522E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86168E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86190E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86071E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.80434E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.79040E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.83593E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.79607E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.86653E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.83757E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.77698E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.78808E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.83181E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.75227E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.75313E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.78136E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.73219E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.76141E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.85573E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84467E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.78761E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.78173E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.76553E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.78474E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.80099E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.76891E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.77343E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.83371E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76537E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.78617E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.77075E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_8.float opened.
 ARIA> REVE ((segid "    " and resid 1    and name HA1 ) OR   ( segid "    " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 3    and name HB1 ) OR   ( segid "    " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 10   and name HB1 ) OR   ( segid "    " and resid 10   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 12   and name HB1 ) OR   ( segid "    " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HE1 ) OR   ( segid "    " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HG1 ) OR   ( segid "    " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HG1 ) OR   ( segid "    " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 24   and name HB1 ) OR   ( segid "    " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HB1 ) OR   ( segid "    " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HG1 ) OR   ( segid "    " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HG1 ) OR   ( segid "    " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    7.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:ww2_12.pdb" (string)
 CNSsolve>   display $file 
PREVIT:ww2_12.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_12.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_12.pdb" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 668.28, 7.11335, 120.217, 46.0021, 186.528, 57.7883, 0, 117.467, 133.164, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 3.43747E-03,0.855678,0.964018,41.6664,0.165152,6.03568,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 4, 11, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:15-Jun-2010  19:58:49       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      -1.608 -15.277  -6.928  1.00  0.00 
 COOR>ATOM      2  HA2 GLY     1      -1.508 -16.855  -6.162  1.00  0.00 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:ww2_12.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_12.float opened.
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HE1 ) OR   ( segid "    " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HB1 ) OR   ( segid "    " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HG1 ) OR   ( segid "    " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  251
 AMBVAC: read in   630 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.41000E+01    0.87057E+00
 ARIEXC: peak, lower, upper, distance    5    0.18000E+01    0.34000E+01    0.88287E+00
 ARIEXC: peak, lower, upper, distance    6    0.18000E+01    0.34000E+01    0.86798E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.47000E+01    0.85050E+00
 ARIEXC: peak, lower, upper, distance    8    0.16000E+01    0.28000E+01    0.88211E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.31000E+01    0.84212E+00
 ARIEXC: peak, lower, upper, distance   10    0.18000E+01    0.40000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance   12    0.18000E+01    0.38000E+01    0.80206E+00
 ARIEXC: peak, lower, upper, distance   15    0.18000E+01    0.38000E+01    0.83999E+00
 ARIEXC: peak, lower, upper, distance   16    0.20000E+01    0.60000E+01    0.81266E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.56000E+01    0.83083E+00
 ARIEXC: peak, lower, upper, distance   19    0.10000E+01    0.60000E+01    0.79228E+00
 ARIEXC: peak, lower, upper, distance   20    0.20000E+01    0.58000E+01    0.76266E+00
 ARIEXC: peak, lower, upper, distance   21    0.17000E+01    0.60000E+01    0.74108E+00
 ARIEXC: peak, lower, upper, distance   22    0.15000E+01    0.60000E+01    0.76161E+00
 ARIEXC: peak, lower, upper, distance   23    0.20000E+01    0.60000E+01    0.77513E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.60000E+01    0.79816E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83659E+00
 ARIEXC: peak, lower, upper, distance   27    0.19000E+01    0.51000E+01    0.80320E+00
 ARIEXC: peak, lower, upper, distance   28    0.17000E+01    0.33000E+01    0.85097E+00
 ARIEXC: peak, lower, upper, distance   29    0.19000E+01    0.53000E+01    0.79619E+00
 ARIEXC: peak, lower, upper, distance   30    0.19000E+01    0.45000E+01    0.83926E+00
 ARIEXC: peak, lower, upper, distance   31    0.19000E+01    0.60000E+01    0.79753E+00
 ARIEXC: peak, lower, upper, distance   32    0.18000E+01    0.34000E+01    0.86312E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.50000E+01    0.86358E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77532E+00
 ARIEXC: peak, lower, upper, distance   35    0.14000E+01    0.22000E+01    0.90984E+00
 ARIEXC: peak, lower, upper, distance   37    0.18000E+01    0.60000E+01    0.74385E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.54000E+01    0.82266E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79820E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.60000E+01    0.74492E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.60000E+01    0.75527E+00
 ARIEXC: peak, lower, upper, distance   44    0.17000E+01    0.31000E+01    0.83507E+00
 ARIEXC: peak, lower, upper, distance   45    0.18000E+01    0.34000E+01    0.88415E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.49000E+01    0.87496E+00
 ARIEXC: peak, lower, upper, distance   48    0.20000E+01    0.60000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   50    0.18000E+01    0.60000E+01    0.83587E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.86533E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.52000E+01    0.81540E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.48000E+01    0.82587E+00
 ARIEXC: peak, lower, upper, distance   54    0.18000E+01    0.60000E+01    0.73804E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.60000E+01    0.77838E+00
 ARIEXC: peak, lower, upper, distance   60    0.20000E+01    0.56000E+01    0.81435E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.60000E+01    0.83725E+00
 ARIEXC: peak, lower, upper, distance   62    0.18000E+01    0.38000E+01    0.85973E+00
 ARIEXC: peak, lower, upper, distance   63    0.18000E+01    0.36000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance   64    0.19000E+01    0.60000E+01    0.78629E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.58000E+01    0.86261E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80612E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.60000E+01    0.82302E+00
 ARIEXC: peak, lower, upper, distance   68    0.19000E+01    0.53000E+01    0.84349E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.58000E+01    0.78762E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.50000E+01    0.86032E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.75344E+00
 ARIEXC: peak, lower, upper, distance   72    0.20000E+01    0.52000E+01    0.76415E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.49000E+01    0.82689E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.41000E+01    0.79490E+00
 ARIEXC: peak, lower, upper, distance   77    0.19000E+01    0.43000E+01    0.83301E+00
 ARIEXC: peak, lower, upper, distance   78    0.20000E+01    0.58000E+01    0.82206E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.60000E+01    0.74116E+00
 ARIEXC: peak, lower, upper, distance   83    0.17000E+01    0.31000E+01    0.89377E+00
 ARIEXC: peak, lower, upper, distance   84    0.19000E+01    0.60000E+01    0.81905E+00
 ARIEXC: peak, lower, upper, distance   86    0.17000E+01    0.60000E+01    0.75992E+00
 ARIEXC: peak, lower, upper, distance   88    0.17000E+01    0.31000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance   89    0.20000E+01    0.56000E+01    0.83560E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.41000E+01    0.82705E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77897E+00
 ARIEXC: peak, lower, upper, distance   92    0.16000E+01    0.30000E+01    0.83320E+00
 ARIEXC: peak, lower, upper, distance   93    0.18000E+01    0.60000E+01    0.76350E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.85606E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.85752E+00
 ARIEXC: peak, lower, upper, distance  103    0.14000E+01    0.22000E+01    0.91026E+00
 ARIEXC: peak, lower, upper, distance  105    0.19000E+01    0.60000E+01    0.80518E+00
 ARIEXC: peak, lower, upper, distance  106    0.20000E+01    0.60000E+01    0.85061E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.54000E+01    0.85789E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.43000E+01    0.79184E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.60000E+01    0.84861E+00
 ARIEXC: peak, lower, upper, distance  110    0.19000E+01    0.43000E+01    0.79999E+00
 ARIEXC: peak, lower, upper, distance  111    0.14000E+01    0.22000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.46000E+01    0.84701E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.40000E+01    0.78357E+00
 ARIEXC: peak, lower, upper, distance  117    0.18000E+01    0.60000E+01    0.82204E+00
 ARIEXC: peak, lower, upper, distance  118    0.19000E+01    0.41000E+01    0.87803E+00
 ARIEXC: peak, lower, upper, distance  119    0.18000E+01    0.38000E+01    0.85593E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.35000E+01    0.83247E+00
 ARIEXC: peak, lower, upper, distance  123    0.19000E+01    0.45000E+01    0.82069E+00
 ARIEXC: peak, lower, upper, distance  128    0.20000E+01    0.60000E+01    0.75393E+00
 ARIEXC: peak, lower, upper, distance  129    0.19000E+01    0.47000E+01    0.76656E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.56000E+01    0.73480E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.52000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.41000E+01    0.86062E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.58000E+01    0.76587E+00
 ARIEXC: peak, lower, upper, distance  134    0.19000E+01    0.55000E+01    0.83013E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.60000E+01    0.74933E+00
 ARIEXC: peak, lower, upper, distance  138    0.15000E+01    0.60000E+01    0.74699E+00
 ARIEXC: peak, lower, upper, distance  140    0.19000E+01    0.45000E+01    0.83049E+00
 ARIEXC: peak, lower, upper, distance  142    0.20000E+01    0.60000E+01    0.87977E+00
 ARIEXC: peak, lower, upper, distance  147    0.20000E+01    0.52000E+01    0.84682E+00
 ARIEXC: peak, lower, upper, distance  149    0.14000E+01    0.60000E+01    0.76571E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.60000E+01    0.78342E+00
 ARIEXC: peak, lower, upper, distance  153    0.17000E+01    0.60000E+01    0.75574E+00
 ARIEXC: peak, lower, upper, distance  157    0.19000E+01    0.60000E+01    0.77053E+00
 ARIEXC: peak, lower, upper, distance  159    0.14000E+01    0.60000E+01    0.71863E+00
 ARIEXC: peak, lower, upper, distance  160    0.20000E+01    0.58000E+01    0.76501E+00
 ARIEXC: peak, lower, upper, distance  162    0.19000E+01    0.39000E+01    0.83268E+00
 ARIEXC: peak, lower, upper, distance  163    0.20000E+01    0.48000E+01    0.83697E+00
 ARIEXC: peak, lower, upper, distance  164    0.15000E+01    0.25000E+01    0.87068E+00
 ARIEXC: peak, lower, upper, distance  165    0.18000E+01    0.38000E+01    0.84629E+00
 ARIEXC: peak, lower, upper, distance  166    0.18000E+01    0.34000E+01    0.83183E+00
 ARIEXC: peak, lower, upper, distance  167    0.17000E+01    0.33000E+01    0.85616E+00
 ARIEXC: peak, lower, upper, distance  168    0.20000E+01    0.50000E+01    0.81664E+00
 ARIEXC: peak, lower, upper, distance  170    0.17000E+01    0.35000E+01    0.86552E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.56000E+01    0.80756E+00
 ARIEXC: peak, lower, upper, distance  172    0.16000E+01    0.60000E+01    0.77759E+00
 ARIEXC: peak, lower, upper, distance  176    0.20000E+01    0.56000E+01    0.81000E+00
 ARIEXC: peak, lower, upper, distance  177    0.16000E+01    0.30000E+01    0.89397E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80839E+00
 ARIEXC: peak, lower, upper, distance  182    0.13000E+01    0.22000E+01    0.91080E+00
 ARIEXC: peak, lower, upper, distance  185    0.19000E+01    0.39000E+01    0.84239E+00
 ARIEXC: peak, lower, upper, distance  186    0.19000E+01    0.41000E+01    0.79890E+00
 ARIEXC: peak, lower, upper, distance  187    0.19000E+01    0.47000E+01    0.83831E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.41000E+01    0.79331E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.79168E+00
 ARIEXC: peak, lower, upper, distance  190    0.19000E+01    0.60000E+01    0.74783E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.49000E+01    0.80328E+00
 ARIEXC: peak, lower, upper, distance  192    0.16000E+01    0.28000E+01    0.83181E+00
 ARIEXC: peak, lower, upper, distance  193    0.14000E+01    0.24000E+01    0.85537E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.85552E+00
 ARIEXC: peak, lower, upper, distance  195    0.20000E+01    0.60000E+01    0.78136E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.45000E+01    0.86872E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.58000E+01    0.84566E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.79593E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.55000E+01    0.81261E+00
 ARIEXC: peak, lower, upper, distance  208    0.20000E+01    0.60000E+01    0.83448E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.60000E+01    0.85316E+00
 ARIEXC: peak, lower, upper, distance  212    0.11000E+01    0.60000E+01    0.81326E+00
 ARIEXC: peak, lower, upper, distance  217    0.19000E+01    0.41000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  218    0.20000E+01    0.56000E+01    0.78098E+00
 ARIEXC: peak, lower, upper, distance  219    0.17000E+01    0.60000E+01    0.80547E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.44000E+01    0.79620E+00
 ARIEXC: peak, lower, upper, distance  224    0.20000E+01    0.56000E+01    0.78220E+00
 ARIEXC: peak, lower, upper, distance  226    0.17000E+01    0.33000E+01    0.87736E+00
 ARIEXC: peak, lower, upper, distance  227    0.19000E+01    0.60000E+01    0.87992E+00
 ARIEXC: peak, lower, upper, distance  228    0.20000E+01    0.52000E+01    0.83764E+00
 ARIEXC: peak, lower, upper, distance  229    0.17000E+01    0.60000E+01    0.86797E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.60000E+01    0.78551E+00
 ARIEXC: peak, lower, upper, distance  231    0.20000E+01    0.60000E+01    0.80245E+00
 ARIEXC: peak, lower, upper, distance  232    0.17000E+01    0.35000E+01    0.86096E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.60000E+01    0.82560E+00
 ARIEXC: peak, lower, upper, distance  234    0.11000E+01    0.60000E+01    0.78795E+00
 ARIEXC: peak, lower, upper, distance  235    0.18000E+01    0.60000E+01    0.87491E+00
 ARIEXC: peak, lower, upper, distance  238    0.15000E+01    0.60000E+01    0.75626E+00
 ARIEXC: peak, lower, upper, distance  240    0.17000E+01    0.31000E+01    0.83242E+00
 ARIEXC: peak, lower, upper, distance  241    0.16000E+01    0.30000E+01    0.86687E+00
 ARIEXC: peak, lower, upper, distance  243    0.18000E+01    0.40000E+01    0.84928E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.47000E+01    0.77848E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.74034E+00
 ARIEXC: peak, lower, upper, distance  246    0.19000E+01    0.60000E+01    0.80866E+00
 ARIEXC: peak, lower, upper, distance  247    0.19000E+01    0.45000E+01    0.83051E+00
 ARIEXC: peak, lower, upper, distance  248    0.14000E+01    0.22000E+01    0.91021E+00
 ARIEXC: peak, lower, upper, distance  250    0.20000E+01    0.60000E+01    0.69244E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.84291E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.60000E+01    0.90251E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.76382E+00
 ARIEXC: peak, lower, upper, distance  256    0.16000E+01    0.28000E+01    0.85392E+00
 ARIEXC: peak, lower, upper, distance  257    0.19000E+01    0.45000E+01    0.81558E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.60000E+01    0.83510E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.47000E+01    0.84182E+00
 ARIEXC: peak, lower, upper, distance  261    0.19000E+01    0.43000E+01    0.83117E+00
 ARIEXC: peak, lower, upper, distance  262    0.20000E+01    0.60000E+01    0.81597E+00
 ARIEXC: peak, lower, upper, distance  263    0.17000E+01    0.60000E+01    0.78704E+00
 ARIEXC: peak, lower, upper, distance  264    0.16000E+01    0.28000E+01    0.85846E+00
 ARIEXC: peak, lower, upper, distance  265    0.20000E+01    0.60000E+01    0.78412E+00
 ARIEXC: peak, lower, upper, distance  267    0.20000E+01    0.60000E+01    0.77462E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.60000E+01    0.85958E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.56000E+01    0.83725E+00
 ARIEXC: peak, lower, upper, distance  270    0.19000E+01    0.45000E+01    0.87123E+00
 ARIEXC: peak, lower, upper, distance  271    0.17000E+01    0.60000E+01    0.86739E+00
 ARIEXC: peak, lower, upper, distance  272    0.20000E+01    0.58000E+01    0.82988E+00
 ARIEXC: peak, lower, upper, distance  276    0.16000E+01    0.30000E+01    0.85751E+00
 ARIEXC: peak, lower, upper, distance  277    0.20000E+01    0.60000E+01    0.86958E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.60000E+01    0.80549E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.56000E+01    0.87432E+00
 ARIEXC: peak, lower, upper, distance  288    0.20000E+01    0.58000E+01    0.84752E+00
 ARIEXC: peak, lower, upper, distance  289    0.16000E+01    0.30000E+01    0.85520E+00
 ARIEXC: peak, lower, upper, distance  290    0.18000E+01    0.38000E+01    0.86478E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.52000E+01    0.83933E+00
 ARIEXC: peak, lower, upper, distance  293    0.18000E+01    0.38000E+01    0.84558E+00
 ARIEXC: peak, lower, upper, distance  294    0.20000E+01    0.60000E+01    0.86167E+00
 ARIEXC: peak, lower, upper, distance  297    0.20000E+01    0.56000E+01    0.80602E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.51000E+01    0.80411E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.52000E+01    0.80946E+00
 ARIEXC: peak, lower, upper, distance  303    0.20000E+01    0.52000E+01    0.84275E+00
 ARIEXC: peak, lower, upper, distance  304    0.19000E+01    0.39000E+01    0.83755E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.58000E+01    0.85546E+00
 ARIEXC: peak, lower, upper, distance  306    0.18000E+01    0.60000E+01    0.74087E+00
 ARIEXC: peak, lower, upper, distance  307    0.17000E+01    0.60000E+01    0.78455E+00
 ARIEXC: peak, lower, upper, distance  309    0.20000E+01    0.60000E+01    0.77745E+00
 ARIEXC: peak, lower, upper, distance  310    0.16000E+01    0.30000E+01    0.85469E+00
 ARIEXC: peak, lower, upper, distance  314    0.20000E+01    0.54000E+01    0.83575E+00
 ARIEXC: peak, lower, upper, distance  315    0.19000E+01    0.49000E+01    0.79278E+00
 ARIEXC: peak, lower, upper, distance  316    0.19000E+01    0.43000E+01    0.83404E+00
 ARIEXC: peak, lower, upper, distance  317    0.20000E+01    0.58000E+01    0.73799E+00
 ARIEXC: peak, lower, upper, distance  318    0.18000E+01    0.38000E+01    0.85154E+00
 ARIEXC: peak, lower, upper, distance  319    0.19000E+01    0.39000E+01    0.82139E+00
 ARIEXC: peak, lower, upper, distance  320    0.16000E+01    0.30000E+01    0.85516E+00
 ARIEXC: peak, lower, upper, distance  321    0.16000E+01    0.30000E+01    0.85564E+00
 ARIEXC: peak, lower, upper, distance  325    0.13000E+01    0.60000E+01    0.78721E+00
 ARIEXC: peak, lower, upper, distance  326    0.18000E+01    0.38000E+01    0.85048E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.43000E+01    0.78915E+00
 ARIEXC: peak, lower, upper, distance  329    0.20000E+01    0.60000E+01    0.79269E+00
 ARIEXC: peak, lower, upper, distance  332    0.18000E+01    0.60000E+01    0.83638E+00
 ARIEXC: peak, lower, upper, distance  334    0.20000E+01    0.60000E+01    0.75844E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.72340E+00
 ARIEXC: peak, lower, upper, distance  338    0.19000E+01    0.60000E+01    0.88346E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.53000E+01    0.83588E+00
 ARIEXC: peak, lower, upper, distance  340    0.20000E+01    0.52000E+01    0.87560E+00
 ARIEXC: peak, lower, upper, distance  341    0.19000E+01    0.41000E+01    0.85699E+00
 ARIEXC: peak, lower, upper, distance  342    0.19000E+01    0.47000E+01    0.83241E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.40000E+01    0.84864E+00
 ARIEXC: peak, lower, upper, distance  346    0.15000E+01    0.25000E+01    0.91028E+00
 ARIEXC: peak, lower, upper, distance  347    0.17000E+01    0.35000E+01    0.83121E+00
 ARIEXC: peak, lower, upper, distance  348    0.17000E+01    0.35000E+01    0.85817E+00
 ARIEXC: peak, lower, upper, distance  349    0.16000E+01    0.28000E+01    0.83187E+00
 ARIEXC: peak, lower, upper, distance  350    0.19000E+01    0.60000E+01    0.76431E+00
 ARIEXC: peak, lower, upper, distance  352    0.19000E+01    0.53000E+01    0.85943E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.39000E+01    0.87058E+00
 ARIEXC: peak, lower, upper, distance  354    0.20000E+01    0.56000E+01    0.84171E+00
 ARIEXC: peak, lower, upper, distance  355    0.18000E+01    0.42000E+01    0.83136E+00
 ARIEXC: peak, lower, upper, distance  356    0.17000E+01    0.33000E+01    0.86084E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.45000E+01    0.82643E+00
 ARIEXC: peak, lower, upper, distance  361    0.12000E+01    0.22000E+01    0.91018E+00
 ARIEXC: peak, lower, upper, distance  362    0.17000E+01    0.33000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance  363    0.18000E+01    0.36000E+01    0.86345E+00
 ARIEXC: peak, lower, upper, distance  364    0.20000E+01    0.56000E+01    0.80088E+00
 ARIEXC: peak, lower, upper, distance  368    0.18000E+01    0.34000E+01    0.85938E+00
 ARIEXC: peak, lower, upper, distance  369    0.18000E+01    0.38000E+01    0.86338E+00
 ARIEXC: peak, lower, upper, distance  371    0.19000E+01    0.41000E+01    0.83492E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.60000E+01    0.78605E+00
 ARIEXC: peak, lower, upper, distance  374    0.18000E+01    0.38000E+01    0.85337E+00
 ARIEXC: peak, lower, upper, distance  375    0.17000E+01    0.35000E+01    0.85214E+00
 ARIEXC: peak, lower, upper, distance  376    0.18000E+01    0.38000E+01    0.85720E+00
 ARIEXC: peak, lower, upper, distance  377    0.19000E+01    0.39000E+01    0.83206E+00
 ARIEXC: peak, lower, upper, distance  378    0.20000E+01    0.60000E+01    0.80736E+00
 ARIEXC: peak, lower, upper, distance  379    0.19000E+01    0.47000E+01    0.89453E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.60000E+01    0.80849E+00
 ARIEXC: peak, lower, upper, distance  383    0.17000E+01    0.35000E+01    0.86302E+00
 ARIEXC: peak, lower, upper, distance  384    0.13000E+01    0.22000E+01    0.91036E+00
 ARIEXC: peak, lower, upper, distance  389    0.20000E+01    0.50000E+01    0.80407E+00
 ARIEXC: peak, lower, upper, distance  391    0.19000E+01    0.60000E+01    0.80214E+00
 ARIEXC: peak, lower, upper, distance  392    0.17000E+01    0.60000E+01    0.76388E+00
 ARIEXC: peak, lower, upper, distance  393    0.18000E+01    0.60000E+01    0.76901E+00
 ARIEXC: peak, lower, upper, distance  395    0.18000E+01    0.40000E+01    0.86340E+00
 ARIEXC: peak, lower, upper, distance  396    0.19000E+01    0.43000E+01    0.83238E+00
 ARIEXC: peak, lower, upper, distance  397    0.20000E+01    0.52000E+01    0.87894E+00
 ARIEXC: peak, lower, upper, distance  399    0.18000E+01    0.38000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  403    0.17000E+01    0.35000E+01    0.83233E+00
 ARIEXC: peak, lower, upper, distance  404    0.18000E+01    0.40000E+01    0.83198E+00
 ARIEXC: peak, lower, upper, distance  405    0.19000E+01    0.45000E+01    0.71677E+00
 ARIEXC: peak, lower, upper, distance  407    0.19000E+01    0.47000E+01    0.82518E+00
 ARIEXC: peak, lower, upper, distance  408    0.19000E+01    0.47000E+01    0.83090E+00
 ARIEXC: peak, lower, upper, distance  409    0.19000E+01    0.45000E+01    0.87792E+00
 ARIEXC: peak, lower, upper, distance  412    0.18000E+01    0.38000E+01    0.87518E+00
 ARIEXC: peak, lower, upper, distance  413    0.18000E+01    0.38000E+01    0.83526E+00
 ARIEXC: peak, lower, upper, distance  414    0.20000E+01    0.44000E+01    0.75583E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.56000E+01    0.74840E+00
 ARIEXC: peak, lower, upper, distance  420    0.18000E+01    0.38000E+01    0.80485E+00
 ARIEXC: peak, lower, upper, distance  422    0.18000E+01    0.36000E+01    0.83641E+00
 ARIEXC: peak, lower, upper, distance  424    0.17000E+01    0.35000E+01    0.86043E+00
 ARIEXC: peak, lower, upper, distance  425    0.19000E+01    0.60000E+01    0.76412E+00
 ARIEXC: peak, lower, upper, distance  427    0.20000E+01    0.58000E+01    0.73244E+00
 ARIEXC: peak, lower, upper, distance  428    0.17000E+01    0.60000E+01    0.81070E+00
 ARIEXC: peak, lower, upper, distance  429    0.17000E+01    0.31000E+01    0.85500E+00
 ARIEXC: peak, lower, upper, distance  431    0.20000E+01    0.54000E+01    0.85454E+00
 ARIEXC: peak, lower, upper, distance  432    0.20000E+01    0.60000E+01    0.75330E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.74687E+00
 ARIEXC: peak, lower, upper, distance  438    0.20000E+01    0.60000E+01    0.75384E+00
 ARIEXC: peak, lower, upper, distance  440    0.20000E+01    0.46000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance  441    0.19000E+01    0.57000E+01    0.77404E+00
 ARIEXC: peak, lower, upper, distance  444    0.20000E+01    0.60000E+01    0.75217E+00
 ARIEXC: peak, lower, upper, distance  445    0.15000E+01    0.25000E+01    0.86091E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.45000E+01    0.86577E+00
 ARIEXC: peak, lower, upper, distance  450    0.19000E+01    0.41000E+01    0.87784E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.80127E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.39000E+01    0.86998E+00
 ARIEXC: peak, lower, upper, distance  453    0.16000E+01    0.30000E+01    0.83340E+00
 ARIEXC: peak, lower, upper, distance  458    0.19000E+01    0.60000E+01    0.79172E+00
 ARIEXC: peak, lower, upper, distance  461    0.14000E+01    0.22000E+01    0.90960E+00
 ARIEXC: peak, lower, upper, distance  462    0.18000E+01    0.60000E+01    0.79710E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.60000E+01    0.83662E+00
 ARIEXC: peak, lower, upper, distance  464    0.18000E+01    0.34000E+01    0.86942E+00
 ARIEXC: peak, lower, upper, distance  466    0.18000E+01    0.34000E+01    0.86960E+00
 ARIEXC: peak, lower, upper, distance  468    0.18000E+01    0.34000E+01    0.85033E+00
 ARIEXC: peak, lower, upper, distance  469    0.19000E+01    0.45000E+01    0.86842E+00
 ARIEXC: peak, lower, upper, distance  470    0.20000E+01    0.60000E+01    0.84441E+00
 ARIEXC: peak, lower, upper, distance  471    0.13000E+01    0.22000E+01    0.90874E+00
 ARIEXC: peak, lower, upper, distance  473    0.20000E+01    0.50000E+01    0.79865E+00
 ARIEXC: peak, lower, upper, distance  474    0.18000E+01    0.40000E+01    0.79754E+00
 ARIEXC: peak, lower, upper, distance  475    0.19000E+01    0.43000E+01    0.83685E+00
 ARIEXC: peak, lower, upper, distance  476    0.19000E+01    0.47000E+01    0.79893E+00
 ARIEXC: peak, lower, upper, distance  477    0.17000E+01    0.31000E+01    0.84781E+00
 ARIEXC: peak, lower, upper, distance  478    0.18000E+01    0.36000E+01    0.83311E+00
 ARIEXC: peak, lower, upper, distance  479    0.16000E+01    0.60000E+01    0.75229E+00
 ARIEXC: peak, lower, upper, distance  480    0.20000E+01    0.60000E+01    0.74147E+00
 ARIEXC: peak, lower, upper, distance  483    0.13000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  486    0.16000E+01    0.28000E+01    0.87019E+00
 ARIEXC: peak, lower, upper, distance  487    0.17000E+01    0.33000E+01    0.84813E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.60000E+01    0.76894E+00
 ARIEXC: peak, lower, upper, distance  490    0.20000E+01    0.60000E+01    0.75792E+00
 ARIEXC: peak, lower, upper, distance  492    0.15000E+01    0.27000E+01    0.86964E+00
 ARIEXC: peak, lower, upper, distance  493    0.19000E+01    0.45000E+01    0.83335E+00
 ARIEXC: peak, lower, upper, distance  497    0.19000E+01    0.47000E+01    0.83336E+00
 ARIEXC: peak, lower, upper, distance  499    0.18000E+01    0.40000E+01    0.84495E+00
 ARIEXC: peak, lower, upper, distance  500    0.15000E+01    0.25000E+01    0.87178E+00
 ARIEXC: peak, lower, upper, distance  501    0.14000E+01    0.22000E+01    0.90916E+00
 ARIEXC: peak, lower, upper, distance  502    0.20000E+01    0.56000E+01    0.81533E+00
 ARIEXC: peak, lower, upper, distance  503    0.20000E+01    0.60000E+01    0.79424E+00
 ARIEXC: peak, lower, upper, distance  506    0.19000E+01    0.45000E+01    0.83092E+00
 ARIEXC: peak, lower, upper, distance  507    0.20000E+01    0.58000E+01    0.82722E+00
 ARIEXC: peak, lower, upper, distance  509    0.18000E+01    0.36000E+01    0.83492E+00
 ARIEXC: peak, lower, upper, distance  512    0.17000E+01    0.31000E+01    0.87189E+00
 ARIEXC: peak, lower, upper, distance  513    0.14000E+01    0.22000E+01    0.90975E+00
 ARIEXC: peak, lower, upper, distance  514    0.20000E+01    0.48000E+01    0.85837E+00
 ARIEXC: peak, lower, upper, distance  515    0.20000E+01    0.50000E+01    0.78628E+00
 ARIEXC: peak, lower, upper, distance  516    0.18000E+01    0.38000E+01    0.89250E+00
 ARIEXC: peak, lower, upper, distance  517    0.19000E+01    0.41000E+01    0.83930E+00
 ARIEXC: peak, lower, upper, distance  518    0.18000E+01    0.38000E+01    0.87335E+00
 ARIEXC: peak, lower, upper, distance  519    0.17000E+01    0.33000E+01    0.86335E+00
 ARIEXC: peak, lower, upper, distance  521    0.16000E+01    0.28000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance  524    0.20000E+01    0.50000E+01    0.87268E+00
 ARIEXC: peak, lower, upper, distance  526    0.17000E+01    0.60000E+01    0.79861E+00
 ARIEXC: peak, lower, upper, distance  528    0.18000E+01    0.42000E+01    0.86479E+00
 ARIEXC: peak, lower, upper, distance  530    0.18000E+01    0.60000E+01    0.79424E+00
 ARIEXC: peak, lower, upper, distance  535    0.18000E+01    0.36000E+01    0.85722E+00
 ARIEXC: peak, lower, upper, distance  536    0.13000E+01    0.22000E+01    0.90890E+00
 ARIEXC: peak, lower, upper, distance  538    0.20000E+01    0.60000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.60000E+01    0.86767E+00
 ARIEXC: peak, lower, upper, distance  540    0.20000E+01    0.58000E+01    0.83532E+00
 ARIEXC: peak, lower, upper, distance  541    0.17000E+01    0.33000E+01    0.87239E+00
 ARIEXC: peak, lower, upper, distance  542    0.20000E+01    0.54000E+01    0.83250E+00
 ARIEXC: peak, lower, upper, distance  543    0.19000E+01    0.41000E+01    0.85787E+00
 ARIEXC: peak, lower, upper, distance  544    0.20000E+01    0.54000E+01    0.80474E+00
 ARIEXC: peak, lower, upper, distance  545    0.16000E+01    0.28000E+01    0.85675E+00
 ARIEXC: peak, lower, upper, distance  546    0.20000E+01    0.60000E+01    0.78232E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.85990E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.60000E+01    0.77318E+00
 ARIEXC: peak, lower, upper, distance  552    0.20000E+01    0.58000E+01    0.81160E+00
 ARIEXC: peak, lower, upper, distance  554    0.19000E+01    0.60000E+01    0.85006E+00
 ARIEXC: peak, lower, upper, distance  559    0.19000E+01    0.60000E+01    0.73836E+00
 ARIEXC: peak, lower, upper, distance  561    0.18000E+01    0.34000E+01    0.83679E+00
 ARIEXC: peak, lower, upper, distance  562    0.20000E+01    0.60000E+01    0.78960E+00
 ARIEXC: peak, lower, upper, distance  563    0.17000E+01    0.31000E+01    0.83253E+00
 ARIEXC: peak, lower, upper, distance  564    0.17000E+01    0.33000E+01    0.86748E+00
 ARIEXC: peak, lower, upper, distance  565    0.17000E+01    0.33000E+01    0.80655E+00
 ARIEXC: peak, lower, upper, distance  568    0.20000E+01    0.44000E+01    0.83616E+00
 ARIEXC: peak, lower, upper, distance  570    0.20000E+01    0.46000E+01    0.79877E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.41000E+01    0.86190E+00
 ARIEXC: peak, lower, upper, distance  574    0.16000E+01    0.30000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance  575    0.16000E+01    0.30000E+01    0.85367E+00
 ARIEXC: peak, lower, upper, distance  576    0.19000E+01    0.39000E+01    0.81773E+00
 ARIEXC: peak, lower, upper, distance  577    0.15000E+01    0.27000E+01    0.86375E+00
 ARIEXC: peak, lower, upper, distance  580    0.19000E+01    0.45000E+01    0.84956E+00
 ARIEXC: peak, lower, upper, distance  581    0.18000E+01    0.38000E+01    0.81151E+00
 ARIEXC: peak, lower, upper, distance  582    0.18000E+01    0.38000E+01    0.84255E+00
 ARIEXC: peak, lower, upper, distance  583    0.17000E+01    0.29000E+01    0.87044E+00
 ARIEXC: peak, lower, upper, distance  585    0.20000E+01    0.56000E+01    0.77470E+00
 ARIEXC: peak, lower, upper, distance  586    0.20000E+01    0.56000E+01    0.76623E+00
 ARIEXC: peak, lower, upper, distance  587    0.16000E+01    0.26000E+01    0.83618E+00
 ARIEXC: peak, lower, upper, distance  588    0.18000E+01    0.36000E+01    0.81047E+00
 ARIEXC: peak, lower, upper, distance  589    0.20000E+01    0.48000E+01    0.83718E+00
 ARIEXC: peak, lower, upper, distance  590    0.20000E+01    0.52000E+01    0.76389E+00
 ARIEXC: peak, lower, upper, distance  593    0.19000E+01    0.60000E+01    0.74097E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.45000E+01    0.88598E+00
 ARIEXC: peak, lower, upper, distance  595    0.20000E+01    0.54000E+01    0.80436E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.60000E+01    0.76708E+00
 ARIEXC: peak, lower, upper, distance  597    0.19000E+01    0.45000E+01    0.78375E+00
 ARIEXC: peak, lower, upper, distance  598    0.19000E+01    0.45000E+01    0.83663E+00
 ARIEXC: peak, lower, upper, distance  599    0.20000E+01    0.60000E+01    0.77841E+00
 ARIEXC: peak, lower, upper, distance  601    0.20000E+01    0.50000E+01    0.84061E+00
 ARIEXC: peak, lower, upper, distance  602    0.19000E+01    0.45000E+01    0.77650E+00
 ARIEXC: peak, lower, upper, distance  603    0.20000E+01    0.60000E+01    0.86788E+00
 ARIEXC: peak, lower, upper, distance  604    0.18000E+01    0.34000E+01    0.86702E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.35000E+01    0.83289E+00
 ARIEXC: peak, lower, upper, distance  607    0.20000E+01    0.60000E+01    0.75769E+00
 ARIEXC: peak, lower, upper, distance  609    0.18000E+01    0.36000E+01    0.83219E+00
 ARIEXC: peak, lower, upper, distance  611    0.20000E+01    0.60000E+01    0.77931E+00
 ARIEXC: peak, lower, upper, distance  613    0.19000E+01    0.49000E+01    0.80276E+00
 ARIEXC: peak, lower, upper, distance    1    0.16000E+01    0.26000E+01    0.87057E+00
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86335E+00
 ARIEXC: peak, lower, upper, distance    3    0.17000E+01    0.33000E+01    0.92386E+00
 ARIEXC: peak, lower, upper, distance    4    0.18000E+01    0.40000E+01    0.81659E+00
 ARIEXC: peak, lower, upper, distance    5    0.17000E+01    0.33000E+01    0.83999E+00
 ARIEXC: peak, lower, upper, distance    6    0.17000E+01    0.31000E+01    0.84572E+00
 ARIEXC: peak, lower, upper, distance    7    0.20000E+01    0.50000E+01    0.83967E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.54000E+01    0.79199E+00
 ARIEXC: peak, lower, upper, distance    9    0.17000E+01    0.60000E+01    0.80828E+00
 ARIEXC: peak, lower, upper, distance   11    0.18000E+01    0.40000E+01    0.87784E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.47000E+01    0.83587E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.86533E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.84171E+00
 ARIEXC: peak, lower, upper, distance   17    0.20000E+01    0.60000E+01    0.78805E+00
 ARIEXC: peak, lower, upper, distance   18    0.13000E+01    0.22000E+01    0.91285E+00
 ARIEXC: peak, lower, upper, distance   21    0.19000E+01    0.43000E+01    0.89453E+00
 ARIEXC: peak, lower, upper, distance   25    0.16000E+01    0.28000E+01    0.84212E+00
 ARIEXC: peak, lower, upper, distance   26    0.19000E+01    0.43000E+01    0.83764E+00
 ARIEXC: peak, lower, upper, distance   27    0.13000E+01    0.22000E+01    0.90318E+00
 ARIEXC: peak, lower, upper, distance   30    0.18000E+01    0.60000E+01    0.86028E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.60000E+01    0.80138E+00
 ARIEXC: peak, lower, upper, distance   32    0.20000E+01    0.58000E+01    0.85240E+00
 ARIEXC: peak, lower, upper, distance   33    0.18000E+01    0.36000E+01    0.84076E+00
 ARIEXC: peak, lower, upper, distance   34    0.18000E+01    0.36000E+01    0.85606E+00
 ARIEXC: peak, lower, upper, distance   35    0.19000E+01    0.43000E+01    0.85752E+00
 ARIEXC: peak, lower, upper, distance   36    0.20000E+01    0.52000E+01    0.83961E+00
 ARIEXC: peak, lower, upper, distance   37    0.16000E+01    0.30000E+01    0.86478E+00
 ARIEXC: peak, lower, upper, distance   38    0.18000E+01    0.34000E+01    0.82988E+00
 ARIEXC: peak, lower, upper, distance   39    0.19000E+01    0.47000E+01    0.86167E+00
 ARIEXC: peak, lower, upper, distance   40    0.18000E+01    0.60000E+01    0.78365E+00
 ARIEXC: peak, lower, upper, distance   41    0.20000E+01    0.48000E+01    0.74687E+00
 ARIEXC: peak, lower, upper, distance   42    0.18000E+01    0.36000E+01    0.82069E+00
 ARIEXC: peak, lower, upper, distance   43    0.20000E+01    0.54000E+01    0.83641E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.52000E+01    0.79142E+00
 ARIEXC: peak, lower, upper, distance   46    0.20000E+01    0.60000E+01    0.88483E+00
 ARIEXC: peak, lower, upper, distance   47    0.20000E+01    0.60000E+01    0.83510E+00
 ARIEXC: peak, lower, upper, distance   48    0.19000E+01    0.39000E+01    0.77716E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.39000E+01    0.84291E+00
 ARIEXC: peak, lower, upper, distance   51    0.20000E+01    0.60000E+01    0.83560E+00
 ARIEXC: peak, lower, upper, distance   52    0.18000E+01    0.40000E+01    0.85050E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.47000E+01    0.83301E+00
 ARIEXC: peak, lower, upper, distance   54    0.17000E+01    0.31000E+01    0.89377E+00
 ARIEXC: peak, lower, upper, distance   55    0.19000E+01    0.47000E+01    0.85303E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.83544E+00
 ARIEXC: peak, lower, upper, distance   59    0.19000E+01    0.47000E+01    0.82587E+00
 ARIEXC: peak, lower, upper, distance   60    0.17000E+01    0.60000E+01    0.80127E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.48000E+01    0.81540E+00
 ARIEXC: peak, lower, upper, distance   62    0.16000E+01    0.28000E+01    0.85097E+00
 ARIEXC: peak, lower, upper, distance   63    0.20000E+01    0.48000E+01    0.80320E+00
 ARIEXC: peak, lower, upper, distance   64    0.17000E+01    0.33000E+01    0.83679E+00
 ARIEXC: peak, lower, upper, distance   65    0.20000E+01    0.60000E+01    0.73698E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.47000E+01    0.90251E+00
 ARIEXC: peak, lower, upper, distance   67    0.18000E+01    0.36000E+01    0.83616E+00
 ARIEXC: peak, lower, upper, distance   68    0.18000E+01    0.38000E+01    0.79877E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.31000E+01    0.81773E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.84363E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.86905E+00
 ARIEXC: peak, lower, upper, distance   72    0.16000E+01    0.30000E+01    0.87058E+00
 ARIEXC: peak, lower, upper, distance   73    0.15000E+01    0.25000E+01    0.88287E+00
 ARIEXC: peak, lower, upper, distance   74    0.19000E+01    0.45000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.60000E+01    0.78762E+00
 ARIEXC: peak, lower, upper, distance   76    0.18000E+01    0.38000E+01    0.82987E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.60000E+01    0.83725E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86798E+00
 ARIEXC: peak, lower, upper, distance   79    0.19000E+01    0.39000E+01    0.80612E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.56000E+01    0.86032E+00
 ARIEXC: peak, lower, upper, distance   81    0.20000E+01    0.52000E+01    0.84313E+00
 ARIEXC: peak, lower, upper, distance   82    0.16000E+01    0.60000E+01    0.76275E+00
 ARIEXC: peak, lower, upper, distance   83    0.18000E+01    0.38000E+01    0.83697E+00
 ARIEXC: peak, lower, upper, distance   84    0.17000E+01    0.31000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance   85    0.16000E+01    0.26000E+01    0.86552E+00
 ARIEXC: peak, lower, upper, distance   86    0.19000E+01    0.49000E+01    0.80756E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.60000E+01    0.85316E+00
 ARIEXC: peak, lower, upper, distance   88    0.20000E+01    0.60000E+01    0.78136E+00
 ARIEXC: peak, lower, upper, distance   89    0.19000E+01    0.45000E+01    0.87496E+00
 ARIEXC: peak, lower, upper, distance   90    0.20000E+01    0.58000E+01    0.83049E+00
 ARIEXC: peak, lower, upper, distance   91    0.17000E+01    0.31000E+01    0.87239E+00
 ARIEXC: peak, lower, upper, distance   92    0.18000E+01    0.40000E+01    0.80159E+00
 ARIEXC: peak, lower, upper, distance   93    0.19000E+01    0.60000E+01    0.83448E+00
 ARIEXC: peak, lower, upper, distance   94    0.20000E+01    0.60000E+01    0.75769E+00
 ARIEXC: peak, lower, upper, distance   95    0.20000E+01    0.60000E+01    0.74232E+00
 ARIEXC: peak, lower, upper, distance   96    0.19000E+01    0.60000E+01    0.78093E+00
 ARIEXC: peak, lower, upper, distance   97    0.20000E+01    0.52000E+01    0.82725E+00
 ARIEXC: peak, lower, upper, distance   98    0.16000E+01    0.26000E+01    0.88211E+00
 ARIEXC: peak, lower, upper, distance   99    0.20000E+01    0.46000E+01    0.83492E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.45000E+01    0.78184E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.60000E+01    0.80736E+00
 ARIEXC: peak, lower, upper, distance  102    0.20000E+01    0.60000E+01    0.78546E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.60000E+01    0.86470E+00
 ARIEXC: peak, lower, upper, distance  104    0.20000E+01    0.60000E+01    0.78388E+00
 ARIEXC: peak, lower, upper, distance  105    0.16000E+01    0.28000E+01    0.87736E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80988E+00
 ARIEXC: peak, lower, upper, distance  108    0.19000E+01    0.45000E+01    0.83051E+00
 ARIEXC: peak, lower, upper, distance  109    0.20000E+01    0.52000E+01    0.80547E+00
 ARIEXC: peak, lower, upper, distance  111    0.19000E+01    0.43000E+01    0.83617E+00
 ARIEXC: peak, lower, upper, distance  112    0.20000E+01    0.60000E+01    0.83083E+00
 ARIEXC: peak, lower, upper, distance  113    0.18000E+01    0.38000E+01    0.83718E+00
 ARIEXC: peak, lower, upper, distance  114    0.19000E+01    0.43000E+01    0.88598E+00
 ARIEXC: peak, lower, upper, distance  116    0.18000E+01    0.34000E+01    0.80946E+00
 ARIEXC: peak, lower, upper, distance  117    0.20000E+01    0.60000E+01    0.81917E+00
 ARIEXC: peak, lower, upper, distance  119    0.20000E+01    0.52000E+01    0.88115E+00
 ARIEXC: peak, lower, upper, distance  121    0.20000E+01    0.60000E+01    0.77708E+00
 ARIEXC: peak, lower, upper, distance  122    0.18000E+01    0.38000E+01    0.83588E+00
 ARIEXC: peak, lower, upper, distance  123    0.17000E+01    0.31000E+01    0.84864E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.60000E+01    0.78721E+00
 ARIEXC: peak, lower, upper, distance  125    0.20000E+01    0.58000E+01    0.79269E+00
 ARIEXC: peak, lower, upper, distance  126    0.18000E+01    0.36000E+01    0.84682E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.41000E+01    0.86192E+00
 ARIEXC: peak, lower, upper, distance  128    0.18000E+01    0.36000E+01    0.88346E+00
 ARIEXC: peak, lower, upper, distance  130    0.16000E+01    0.30000E+01    0.83622E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.43000E+01    0.80518E+00
 ARIEXC: peak, lower, upper, distance  132    0.19000E+01    0.47000E+01    0.85061E+00
 ARIEXC: peak, lower, upper, distance  134    0.17000E+01    0.33000E+01    0.86534E+00
 ARIEXC: peak, lower, upper, distance  135    0.19000E+01    0.60000E+01    0.79872E+00
 ARIEXC: peak, lower, upper, distance  136    0.20000E+01    0.60000E+01    0.84054E+00
 ARIEXC: peak, lower, upper, distance  137    0.17000E+01    0.31000E+01    0.87792E+00
 ARIEXC: peak, lower, upper, distance  138    0.17000E+01    0.35000E+01    0.83663E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.45000E+01    0.81344E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.34000E+01    0.85442E+00
 ARIEXC: peak, lower, upper, distance    3    0.19000E+01    0.43000E+01    0.87871E+00
 ARIEXC: peak, lower, upper, distance    4    0.19000E+01    0.39000E+01    0.83926E+00
 ARIEXC: peak, lower, upper, distance    5    0.20000E+01    0.60000E+01    0.79753E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74147E+00
 ARIEXC: peak, lower, upper, distance    7    0.19000E+01    0.51000E+01    0.85837E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.48000E+01    0.78628E+00
 ARIEXC: peak, lower, upper, distance    9    0.20000E+01    0.58000E+01    0.80436E+00
 ARIEXC: peak, lower, upper, distance   10    0.20000E+01    0.60000E+01    0.76708E+00
 ARIEXC: peak, lower, upper, distance   11    0.20000E+01    0.58000E+01    0.75761E+00
 ARIEXC: peak, lower, upper, distance   12    0.19000E+01    0.41000E+01    0.79999E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.48000E+01    0.84861E+00
 ARIEXC: peak, lower, upper, distance   14    0.20000E+01    0.56000E+01    0.77328E+00
 ARIEXC: peak, lower, upper, distance   16    0.18000E+01    0.38000E+01    0.85407E+00
 ARIEXC: peak, lower, upper, distance   17    0.18000E+01    0.40000E+01    0.84121E+00
 ARIEXC: peak, lower, upper, distance   18    0.17000E+01    0.60000E+01    0.77649E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.47000E+01    0.84072E+00
 ARIEXC: peak, lower, upper, distance   22    0.19000E+01    0.60000E+01    0.77151E+00
 ARIEXC: peak, lower, upper, distance   25    0.20000E+01    0.48000E+01    0.82990E+00
 ARIEXC: peak, lower, upper, distance   26    0.17000E+01    0.60000E+01    0.80138E+00
 ARIEXC: peak, lower, upper, distance   27    0.17000E+01    0.33000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance   29    0.20000E+01    0.58000E+01    0.80602E+00
 ARIEXC: peak, lower, upper, distance   30    0.17000E+01    0.33000E+01    0.86176E+00
 ARIEXC: peak, lower, upper, distance   31    0.17000E+01    0.33000E+01    0.86198E+00
 ARIEXC: peak, lower, upper, distance   33    0.17000E+01    0.31000E+01    0.86066E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.60000E+01    0.78256E+00
 ARIEXC: peak, lower, upper, distance   40    0.20000E+01    0.60000E+01    0.79619E+00
 ARIEXC: peak, lower, upper, distance   41    0.16000E+01    0.28000E+01    0.86312E+00
 ARIEXC: peak, lower, upper, distance   42    0.20000E+01    0.56000E+01    0.79184E+00
 ARIEXC: peak, lower, upper, distance   43    0.18000E+01    0.60000E+01    0.85789E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.60000E+01    0.81258E+00
 ARIEXC: peak, lower, upper, distance   45    0.19000E+01    0.60000E+01    0.76571E+00
 ARIEXC: peak, lower, upper, distance   46    0.19000E+01    0.39000E+01    0.84834E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.39000E+01    0.84182E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.60000E+01    0.76174E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.74182E+00
 ARIEXC: peak, lower, upper, distance   50    0.20000E+01    0.60000E+01    0.83886E+00
 ARIEXC: peak, lower, upper, distance   53    0.20000E+01    0.60000E+01    0.75574E+00
 ARIEXC: peak, lower, upper, distance   54    0.20000E+01    0.56000E+01    0.90315E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.85156E+00
 ARIEXC: peak, lower, upper, distance   57    0.16000E+01    0.26000E+01    0.84475E+00
 ARIEXC: peak, lower, upper, distance   59    0.13000E+01    0.60000E+01    0.78739E+00
 ARIEXC: peak, lower, upper, distance   61    0.20000E+01    0.46000E+01    0.77848E+00
 ARIEXC: peak, lower, upper, distance   69    0.20000E+01    0.60000E+01    0.73901E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.54000E+01    0.77967E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.60000E+01    0.82705E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.58000E+01    0.85059E+00
 ARIEXC: peak, lower, upper, distance   77    0.20000E+01    0.58000E+01    0.80866E+00
 ARIEXC: peak, lower, upper, distance   78    0.19000E+01    0.39000E+01    0.84928E+00
 ARIEXC: peak, lower, upper, distance   80    0.20000E+01    0.60000E+01    0.76514E+00
 ARIEXC: peak, lower, upper, distance   91    0.20000E+01    0.60000E+01    0.77392E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.60000E+01    0.76009E+00
 COUNTV:  557 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/ww2_12.float opened.
 ARIA> REVE ((segid "    " and resid 2    and name HB1 ) OR   ( segid "    " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 6    and name HD11) OR   ( segid "    " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 8    and name HB1 ) OR   ( segid "    " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 9    and name HA1 ) OR   ( segid "    " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HB1 ) OR   ( segid "    " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 11   and name HG1 ) OR   ( segid "    " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HB1 ) OR   ( segid "    " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HG1 ) OR   ( segid "    " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 13   and name HE1 ) OR   ( segid "    " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 14   and name HB1 ) OR   ( segid "    " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 16   and name HB1 ) OR   ( segid "    " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HG1 ) OR   ( segid "    " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 17   and name HH21) OR   ( segid "    " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 18   and name HA1 ) OR   ( segid "    " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 19   and name HB1 ) OR   ( segid "    " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 20   and name HB1 ) OR   ( segid "    " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 22   and name HB1 ) OR   ( segid "    " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HB1 ) OR   ( segid "    " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 26   and name HD21) OR   ( segid "    " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HG1 ) OR   ( segid "    " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 28   and name HE1 ) OR   ( segid "    " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 32   and name HB1 ) OR   ( segid "    " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 33   and name HB1 ) OR   ( segid "    " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HD1 ) OR   ( segid "    " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 34   and name HE1 ) OR   ( segid "    " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HB1 ) OR   ( segid "    " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HG1 ) OR   ( segid "    " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 35   and name HD1 ) OR   ( segid "    " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 37   and name HG1 ) OR   ( segid "    " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> REVE ((segid "    " and resid 38   and name HB1 ) OR   ( segid "    " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    593
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    8.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as false
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 CNSsolve>   display $file 
 CNSsolve>   coor init end 
 CNSsolve>   if ($file ne "") then 
 CNSsolve>      coor @@$file 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 CNSsolve>      aria 
 CNSsolve>         analyse_restraints aver end 
 CNSsolve>         countvio threshold $Iterations.violtoler end 
 CNSsolve>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 CNSsolve>end loop main 
 CNSsolve> 
 CNSsolve>! list violated restraints 
 CNSsolve>aria countvio list DIST $Iterations.violratio end end 
 CNSsolve>! compare noe tables and remove double entries 
 CNSsolve>aria analyse_restraints cutoff 1000 level 1.01 check * end end 
 Duplicate restraint removed (1):        1       4       420       1
 Duplicate restraint removed (1):        2       5       482      73
 Duplicate restraint removed (1):        3       6       487      78
 Duplicate restraint removed (1):        4       7       463      52
 Duplicate restraint removed (1):        5       8       507      98
 Duplicate restraint removed (1):        6       9       439      25
 Duplicate restraint removed (1):        7      10       493      84
 Duplicate restraint removed (1):        9      15       424       5
 Duplicate restraint removed (2):       11      17       519     112
 Duplicate restraint removed (1):       20      27       472      63
 Duplicate restraint removed (1):       21      28       471      62
 Duplicate restraint removed (2):       22      29       570      40
 Duplicate restraint removed (1):       23      30       544       4
 Duplicate restraint removed (1):       24      31       545       5
 Duplicate restraint removed (1):       25      32       571      41
 Duplicate restraint removed (1):       36      46       498      89
 Duplicate restraint removed (1):       38      50       430      12
 Duplicate restraint removed (1):       39      51       431      13
 Duplicate restraint removed (1):       40      52       470      61
 Duplicate restraint removed (2):       41      53       468      59
 Duplicate restraint removed (1):       45      61       486      77
 Duplicate restraint removed (1):       50      66       488      79
 Duplicate restraint removed (2):       53      69       484      75
 Duplicate restraint removed (2):       54      70       489      80
 Duplicate restraint removed (2):       55      71       596      90
 Duplicate restraint removed (2):       59      77       464      53
 Duplicate restraint removed (2):       62      83       465      54
 Duplicate restraint removed (2):       65      88       524     119
 Duplicate restraint removed (2):       66      89       462      51
 Duplicate restraint removed (2):       67      90       590      72
 Duplicate restraint removed (1):       71      95       446      34
 Duplicate restraint removed (1):       72      96       447      35
 Duplicate restraint removed (1):       77     105       534     131
 Duplicate restraint removed (1):       78     106       535     132
 Duplicate restraint removed (2):       79     107       573      43
 Duplicate restraint removed (2):       80     108       572      42
 Duplicate restraint removed (1):       81     109       553      13
 Duplicate restraint removed (1):       82     110       552      12
 Duplicate restraint removed (1):       91     123       454      42
 Duplicate restraint removed (2):      102     140       499      90
 Duplicate restraint removed (1):      103     141       501      92
 Duplicate restraint removed (1):      105     147       530     126
 Duplicate restraint removed (1):      106     149       575      45
 Duplicate restraint removed (1):      108     153       581      53
 Duplicate restraint removed (1):      113     163       492      83
 Duplicate restraint removed (1):      119     170       494      85
 Duplicate restraint removed (1):      120     171       495      86
 Duplicate restraint removed (2):      139     195       497      88
 Duplicate restraint removed (2):      144     208       502      93
 Duplicate restraint removed (2):      145     209       496      87
 Duplicate restraint removed (1):      149     219       517     109
 Duplicate restraint removed (2):      150     221       438      22
 Duplicate restraint removed (1):      152     226       514     105
 Duplicate restraint removed (1):      154     228       440      26
 Duplicate restraint removed (1):      165     243       594      78
 Duplicate restraint removed (1):      166     244       587      61
 Duplicate restraint removed (2):      167     245       560      24
 Duplicate restraint removed (1):      168     246       593      77
 Duplicate restraint removed (2):      169     247       516     108
 Duplicate restraint removed (1):      172     251       460      49
 Duplicate restraint removed (1):      173     252       475      66
 Duplicate restraint removed (2):      177     258       458      47
 Duplicate restraint removed (1):      178     259       577      47
 Duplicate restraint removed (1):      189     272       450      38
 Duplicate restraint removed (1):      196     290       449      37
 Duplicate restraint removed (1):      199     294       451      39
 Duplicate restraint removed (2):      200     297       564      29
 Duplicate restraint removed (1):      204     302       522     116
 Duplicate restraint removed (2):      210     309       436      20
 Duplicate restraint removed (1):      220     325       528     124
 Duplicate restraint removed (1):      224     329       529     125
 Duplicate restraint removed (1):      229     338       532     128
 Duplicate restraint removed (1):      230     339       526     122
 Duplicate restraint removed (1):      234     343       527     123
 Duplicate restraint removed (1):      241     353       481      72
 Duplicate restraint removed (1):      242     354       433      16
 Duplicate restraint removed (2):      252     371       508      99
 Duplicate restraint removed (2):      259     378       510     101
 Duplicate restraint removed (1):      260     379       437      21
 Duplicate restraint removed (1):      279     409       539     137
 Duplicate restraint removed (2):      287     422       455      43
 Duplicate restraint removed (2):      298     440       483      74
 Duplicate restraint removed (1):      300     442       589      71
 Duplicate restraint removed (1):      301     443       597      91
 Duplicate restraint removed (2):      305     450       429      11
 Duplicate restraint removed (2):      306     451       469      60
 Duplicate restraint removed (2):      326     480       546       6
 Duplicate restraint removed (2):      347     514       547       7
 Duplicate restraint removed (1):      348     515       548       8
 Duplicate restraint removed (1):      352     519       421       2
 Duplicate restraint removed (1):      365     541       500      91
 Duplicate restraint removed (2):      380     561       473      64
 Duplicate restraint removed (1):      385     568       476      67
 Duplicate restraint removed (1):      386     570       477      68
 Duplicate restraint removed (1):      391     576       478      69
 Duplicate restraint removed (1):      401     589       520     113
 Duplicate restraint removed (1):      404     594       521     114
 Duplicate restraint removed (2):      405     595       549       9
 Duplicate restraint removed (2):      406     596       550      10
 Duplicate restraint removed (1):      408     598       540     138
 Duplicate restraint removed (2):      415     607       503      94
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:unambig.tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:unambig.tbl" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/finaldata/unambig.tbl opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 1 maxn 1 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      or-restraint * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:ambig.tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:ambig.tbl" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/finaldata/ambig.tbl opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 2 maxn $iterations.maxn 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      or-restraint * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:merged.list") 
 EVALUATE: symbol $FILE set to "NEWIT:merged.list" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/ww2/run12/structures/it8/finaldata/merged.list opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 1 maxn $iterations.maxn 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      list * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CHPR: d^-6, int     0.92200E-02    0.92200E-02    0.30000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =    18059288 current use      =           0 bytes
 HEAP: maximum overhead =         464 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:    18059288 bytes
           Maximum dynamic memory overhead:           464 bytes
           Program started at: 20:08:42 on 15-Jun-2010
           Program stopped at: 20:10:44 on 15-Jun-2010
           CPU time used:     121.9500 seconds
          ============================================================

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  18.035  -4.378   4.611
    2    H2   GLY   1           HT2      GLY   1  18.700  -4.035   6.129
    3    H3   GLY   1           HT3      GLY   1  17.096  -3.623   5.805
    4    HA2  GLY   1           HA1      GLY   1  18.207  -6.368   6.022
    5    HA3  GLY   1           HA2      GLY   1  17.140  -5.578   7.173
    6    H    SER   2           HN       SER   2  16.625  -8.059   5.895
    7    HA   SER   2           HA       SER   2  15.095  -7.924   3.575
    8    HB2  SER   2           HB2      SER   2  14.743  -9.892   5.839
    9    HB3  SER   2           HB1      SER   2  14.369 -10.148   4.135
   10    HG   SER   2           HG       SER   2  16.325 -10.879   4.018
   11    H    SER   3           HN       SER   3  14.074  -7.729   6.962
   12    HA   SER   3           HA       SER   3  12.208  -6.943   7.975
   13    HB2  SER   3           HB2      SER   3  11.453  -5.842   5.257
   14    HB3  SER   3           HB1      SER   3  10.757  -5.366   6.810
   15    HG   SER   3           HG       SER   3  13.295  -4.824   5.732
   16    H    SER   4           HN       SER   4   9.779  -7.224   8.032
   17    HA   SER   4           HA       SER   4   8.952  -9.574   6.467
   18    HB2  SER   4           HB2      SER   4   7.854 -10.361   8.667
   19    HB3  SER   4           HB1      SER   4   9.603 -10.535   8.520
   20    HG   SER   4           HG       SER   4   8.400  -9.382  10.462
   21    H    GLY   5           HN       GLY   5   8.307  -6.638   6.400
   22    HA2  GLY   5           HA2      GLY   5   5.379  -6.895   6.726
   23    HA3  GLY   5           HA1      GLY   5   6.231  -5.424   7.168
   24    H    LEU   6           HN       LEU   6   4.744  -4.395   5.664
   25    HA   LEU   6           HA       LEU   6   4.899  -4.963   2.879
   26    HB2  LEU   6           HB2      LEU   6   3.783  -2.598   4.416
   27    HB3  LEU   6           HB1      LEU   6   3.792  -2.655   2.665
   28    HG   LEU   6           HG       LEU   6   1.617  -3.292   3.569
   29   HD11  LEU   6          HD11      LEU   6   1.338  -5.405   2.350
   30   HD12  LEU   6          HD12      LEU   6   3.094  -5.561   2.255
   31   HD13  LEU   6          HD13      LEU   6   2.278  -4.221   1.447
   32   HD21  LEU   6          HD21      LEU   6   2.317  -4.261   5.695
   33   HD22  LEU   6          HD22      LEU   6   3.032  -5.625   4.837
   34   HD23  LEU   6          HD23      LEU   6   1.289  -5.371   4.784
   35    HA   PRO   7           HA       PRO   7   8.567  -3.142   1.392
   36    HB2  PRO   7           HB2      PRO   7   7.483  -1.284  -0.428
   37    HB3  PRO   7           HB1      PRO   7   7.979  -2.940  -0.779
   38    HG2  PRO   7           HG2      PRO   7   5.269  -1.858  -0.190
   39    HG3  PRO   7           HG1      PRO   7   5.745  -3.178  -1.271
   40    HD2  PRO   7           HD2      PRO   7   4.610  -3.702   1.074
   41    HD3  PRO   7           HD1      PRO   7   5.955  -4.703   0.477
   42    HA   PRO   8           HA       PRO   8   9.714   0.408   3.725
   43    HB2  PRO   8           HB2      PRO   8  11.065   1.154   1.155
   44    HB3  PRO   8           HB1      PRO   8  11.693   1.196   2.808
   45    HG2  PRO   8           HG2      PRO   8  12.357  -0.799   1.203
   46    HG3  PRO   8           HG1      PRO   8  11.957  -1.122   2.901
   47    HD2  PRO   8           HD2      PRO   8  10.345  -1.627   0.443
   48    HD3  PRO   8           HD1      PRO   8  10.417  -2.547   1.959
   49    H    GLY   9           HN       GLY   9   8.059   1.755   4.088
   50    HA2  GLY   9           HA2      GLY   9   7.288   3.980   3.872
   51    HA3  GLY   9           HA1      GLY   9   7.717   3.936   2.171
   52    H    TRP  10           HN       TRP  10   6.134   1.099   2.907
   53    HA   TRP  10           HA       TRP  10   3.560   2.266   2.072
   54    HB2  TRP  10           HB2      TRP  10   4.804  -0.317   1.104
   55    HB3  TRP  10           HB1      TRP  10   3.196   0.266   0.673
   56    HD1  TRP  10           HD1      TRP  10   6.912   1.129   0.099
   57    HE1  TRP  10           HE1      TRP  10   7.086   2.628  -1.989
   58    HE3  TRP  10           HE3      TRP  10   1.938   1.816  -0.816
   59    HZ2  TRP  10           HZ2      TRP  10   5.335   3.907  -3.797
   60    HZ3  TRP  10           HZ3      TRP  10   1.262   3.189  -2.742
   61    HH2  TRP  10           HH2      TRP  10   2.934   4.218  -4.206
   62    H    GLU  11           HN       GLU  11   1.665   1.161   2.731
   63    HA   GLU  11           HA       GLU  11   1.912  -1.189   4.405
   64    HB2  GLU  11           HB2      GLU  11   2.265   0.640   6.004
   65    HB3  GLU  11           HB1      GLU  11   0.780   1.402   5.479
   66    HG2  GLU  11           HG2      GLU  11   0.528   0.262   7.609
   67    HG3  GLU  11           HG1      GLU  11  -0.518  -0.417   6.366
   68    H    GLU  12           HN       GLU  12  -0.016  -2.417   4.394
   69    HA   GLU  12           HA       GLU  12  -1.895  -1.459   2.325
   70    HB2  GLU  12           HB2      GLU  12  -0.543  -3.316   1.560
   71    HB3  GLU  12           HB1      GLU  12  -0.988  -4.269   2.970
   72    HG2  GLU  12           HG2      GLU  12  -3.258  -4.433   2.213
   73    HG3  GLU  12           HG1      GLU  12  -2.937  -3.316   0.885
   74    H    LYS  13           HN       LYS  13  -3.945  -1.174   2.853
   75    HA   LYS  13           HA       LYS  13  -5.077  -2.736   5.078
   76    HB2  LYS  13           HB2      LYS  13  -5.230   0.235   4.662
   77    HB3  LYS  13           HB1      LYS  13  -6.562  -0.607   5.435
   78    HG2  LYS  13           HG2      LYS  13  -5.206   0.228   7.167
   79    HG3  LYS  13           HG1      LYS  13  -4.883  -1.504   7.087
   80    HD2  LYS  13           HD2      LYS  13  -2.883  -0.964   5.680
   81    HD3  LYS  13           HD1      LYS  13  -3.170   0.739   6.034
   82    HE2  LYS  13           HE2      LYS  13  -2.697  -1.407   8.093
   83    HE3  LYS  13           HE1      LYS  13  -1.473  -0.285   7.503
   84    HZ1  LYS  13           HZ1      LYS  13  -2.903   1.547   8.334
   85    HZ2  LYS  13           HZ2      LYS  13  -2.325   0.530   9.558
   86    HZ3  LYS  13           HZ3      LYS  13  -3.930   0.390   9.038
   87    H    GLN  14           HN       GLN  14  -7.005  -3.670   4.633
   88    HA   GLN  14           HA       GLN  14  -8.090  -3.310   1.973
   89    HB2  GLN  14           HB2      GLN  14  -9.061  -5.109   4.208
   90    HB3  GLN  14           HB1      GLN  14  -9.570  -5.168   2.529
   91    HG2  GLN  14           HG2      GLN  14  -8.072  -6.935   2.777
   92    HG3  GLN  14           HG1      GLN  14  -7.165  -5.675   1.945
   93   HE21  GLN  14          HE21      GLN  14  -7.894  -5.595   5.370
   94   HE22  GLN  14          HE22      GLN  14  -6.270  -5.824   5.916
   95    H    ASP  15           HN       ASP  15 -10.437  -2.984   1.631
   96    HA   ASP  15           HA       ASP  15 -11.502  -0.960   3.422
   97    HB2  ASP  15           HB2      ASP  15 -13.098  -0.485   1.738
   98    HB3  ASP  15           HB1      ASP  15 -11.621  -0.854   0.856
   99    H    ASP  16           HN       ASP  16 -14.219  -1.400   3.377
  100    HA   ASP  16           HA       ASP  16 -14.419  -3.464   5.357
  101    HB2  ASP  16           HB2      ASP  16 -16.541  -2.651   5.835
  102    HB3  ASP  16           HB1      ASP  16 -15.719  -1.219   5.228
  103    H    ARG  17           HN       ARG  17 -14.683  -3.468   1.972
  104    HA   ARG  17           HA       ARG  17 -16.474  -5.761   1.930
  105    HB2  ARG  17           HB2      ARG  17 -14.996  -4.427  -0.343
  106    HB3  ARG  17           HB1      ARG  17 -16.202  -5.688  -0.504
  107    HG2  ARG  17           HG2      ARG  17 -16.586  -2.871   0.380
  108    HG3  ARG  17           HG1      ARG  17 -17.284  -3.683  -1.014
  109    HD2  ARG  17           HD2      ARG  17 -17.912  -4.181   1.887
  110    HD3  ARG  17           HD1      ARG  17 -18.966  -3.445   0.685
  111    HE   ARG  17           HE       ARG  17 -18.078  -6.252   0.460
  112   HH11  ARG  17          HH11      ARG  17 -20.581  -3.810   0.411
  113   HH12  ARG  17          HH12      ARG  17 -21.869  -4.942   0.119
  114   HH21  ARG  17          HH21      ARG  17 -19.757  -7.749   0.059
  115   HH22  ARG  17          HH22      ARG  17 -21.398  -7.187  -0.092
  116    H    GLY  18           HN       GLY  18 -13.076  -5.031   1.139
  117    HA2  GLY  18           HA2      GLY  18 -11.661  -6.919   2.231
  118    HA3  GLY  18           HA1      GLY  18 -12.541  -7.932   1.099
  119    H    ARG  19           HN       ARG  19 -11.890  -4.823  -0.110
  120    HA   ARG  19           HA       ARG  19  -9.752  -5.939  -1.793
  121    HB2  ARG  19           HB2      ARG  19 -11.345  -3.389  -2.137
  122    HB3  ARG  19           HB1      ARG  19 -10.198  -4.055  -3.292
  123    HG2  ARG  19           HG2      ARG  19 -11.636  -6.068  -3.466
  124    HG3  ARG  19           HG1      ARG  19 -12.825  -5.246  -2.456
  125    HD2  ARG  19           HD2      ARG  19 -11.762  -4.144  -5.048
  126    HD3  ARG  19           HD1      ARG  19 -13.240  -5.086  -4.915
  127    HE   ARG  19           HE       ARG  19 -13.146  -2.783  -3.179
  128   HH11  ARG  19          HH11      ARG  19 -14.037  -4.006  -6.344
  129   HH12  ARG  19          HH12      ARG  19 -15.150  -2.707  -6.671
  130   HH21  ARG  19          HH21      ARG  19 -14.598  -1.069  -3.612
  131   HH22  ARG  19          HH22      ARG  19 -15.477  -1.048  -5.122
  132    H    SER  20           HN       SER  20  -7.684  -5.218  -1.609
  133    HA   SER  20           HA       SER  20  -7.259  -3.502   0.701
  134    HB2  SER  20           HB2      SER  20  -4.930  -4.404   0.614
  135    HB3  SER  20           HB1      SER  20  -6.172  -5.628   0.832
  136    HG   SER  20           HG       SER  20  -4.313  -5.582  -1.000
  137    H    TYR  21           HN       TYR  21  -6.810  -1.462   0.466
  138    HA   TYR  21           HA       TYR  21  -5.384  -0.544  -1.926
  139    HB2  TYR  21           HB2      TYR  21  -6.064   1.759  -1.090
  140    HB3  TYR  21           HB1      TYR  21  -7.380   0.720  -1.620
  141    HD1  TYR  21           HD2      TYR  21  -5.705   2.159   1.339
  142    HD2  TYR  21           HD1      TYR  21  -9.078   0.008  -0.113
  143    HE1  TYR  21           HE2      TYR  21  -6.837   2.483   3.497
  144    HE2  TYR  21           HE1      TYR  21 -10.216   0.329   2.035
  145    HH   TYR  21           HH       TYR  21  -9.671   0.769   4.354
  146    H    TYR  22           HN       TYR  22  -3.777   1.295  -1.410
  147    HA   TYR  22           HA       TYR  22  -2.183   0.314   0.855
  148    HB2  TYR  22           HB2      TYR  22  -1.133   1.468  -1.737
  149    HB3  TYR  22           HB1      TYR  22  -0.175   0.761  -0.433
  150    HD1  TYR  22           HD1      TYR  22  -2.428   0.038  -3.249
  151    HD2  TYR  22           HD2      TYR  22  -0.055  -1.624  -0.134
  152    HE1  TYR  22           HE1      TYR  22  -2.618  -2.179  -4.295
  153    HE2  TYR  22           HE2      TYR  22  -0.237  -3.845  -1.171
  154    HH   TYR  22           HH       TYR  22  -1.689  -5.050  -2.678
  155    H    VAL  23           HN       VAL  23  -1.618   1.727   2.362
  156    HA   VAL  23           HA       VAL  23  -1.931   4.562   1.766
  157    HB   VAL  23           HB       VAL  23  -2.956   3.856   3.851
  158   HG11  VAL  23          HG11      VAL  23  -0.207   3.000   4.725
  159   HG12  VAL  23          HG12      VAL  23  -1.578   1.938   4.399
  160   HG13  VAL  23          HG13      VAL  23  -1.641   3.069   5.754
  161   HG21  VAL  23          HG21      VAL  23  -0.508   5.559   4.292
  162   HG22  VAL  23          HG22      VAL  23  -1.885   5.453   5.390
  163   HG23  VAL  23          HG23      VAL  23  -2.100   6.111   3.767
  164    H    ASP  24           HN       ASP  24  -0.320   5.530   0.955
  165    HA   ASP  24           HA       ASP  24   2.346   4.423   1.123
  166    HB2  ASP  24           HB2      ASP  24   1.565   5.101  -1.062
  167    HB3  ASP  24           HB1      ASP  24   1.196   6.720  -0.473
  168    H    HIS  25           HN       HIS  25   3.766   5.047   2.544
  169    HA   HIS  25           HA       HIS  25   3.364   7.441   4.143
  170    HB2  HIS  25           HB2      HIS  25   5.634   5.419   4.172
  171    HB3  HIS  25           HB1      HIS  25   5.393   6.704   5.346
  172    HD1  HIS  25           HD1      HIS  25   4.781   5.561   7.451
  173    HD2  HIS  25           HD2      HIS  25   2.766   3.968   4.181
  174    HE1  HIS  25           HE1      HIS  25   3.231   3.824   8.389
  175    HE2  HIS  25           HE2      HIS  25   2.095   2.806   6.392
  176    H    ASN  26           HN       ASN  26   5.007   6.461   1.340
  177    HA   ASN  26           HA       ASN  26   7.265   8.140   1.417
  178    HB2  ASN  26           HB2      ASN  26   7.569   6.469  -0.104
  179    HB3  ASN  26           HB1      ASN  26   5.871   6.445  -0.575
  180   HD21  ASN  26          HD21      ASN  26   5.204   7.562  -2.308
  181   HD22  ASN  26          HD22      ASN  26   6.280   8.431  -3.368
  182    H    SER  27           HN       SER  27   4.132   8.566  -0.270
  183    HA   SER  27           HA       SER  27   4.740  11.453  -0.397
  184    HB2  SER  27           HB2      SER  27   2.722   9.884  -2.024
  185    HB3  SER  27           HB1      SER  27   3.150  11.582  -2.238
  186    HG   SER  27           HG       SER  27   5.054   9.499  -2.396
  187    H    LYS  28           HN       LYS  28   3.181   9.317   1.464
  188    HA   LYS  28           HA       LYS  28   1.462   9.314   2.917
  189    HB2  LYS  28           HB2      LYS  28   1.890  12.293   2.724
  190    HB3  LYS  28           HB1      LYS  28   0.745  11.562   3.840
  191    HG2  LYS  28           HG2      LYS  28   2.569  11.800   5.187
  192    HG3  LYS  28           HG1      LYS  28   2.818  10.162   4.587
  193    HD2  LYS  28           HD2      LYS  28   4.919  11.159   4.369
  194    HD3  LYS  28           HD1      LYS  28   4.234  11.262   2.748
  195    HE2  LYS  28           HE2      LYS  28   3.982  13.514   4.724
  196    HE3  LYS  28           HE1      LYS  28   5.399  13.339   3.694
  197    HZ1  LYS  28           HZ1      LYS  28   3.677  14.861   2.810
  198    HZ2  LYS  28           HZ2      LYS  28   2.618  13.544   2.657
  199    HZ3  LYS  28           HZ3      LYS  28   4.054  13.586   1.760
  200    H    THR  29           HN       THR  29   0.166   8.377   1.214
  201    HA   THR  29           HA       THR  29  -2.322   9.803   1.022
  202    HB   THR  29           HB       THR  29  -1.288  10.726  -0.953
  203    HG1  THR  29           HG1      THR  29  -2.941  10.264  -2.280
  204   HG21  THR  29          HG21      THR  29  -0.779   7.868  -1.807
  205   HG22  THR  29          HG22      THR  29   0.445   9.051  -1.339
  206   HG23  THR  29          HG23      THR  29  -0.509   9.301  -2.801
  207    H    THR  30           HN       THR  30  -4.027   8.443   0.980
  208    HA   THR  30           HA       THR  30  -3.525   5.583   0.823
  209    HB   THR  30           HB       THR  30  -6.252   5.930   1.178
  210    HG1  THR  30           HG1      THR  30  -5.218   7.678   3.087
  211   HG21  THR  30          HG21      THR  30  -4.074   5.636   3.244
  212   HG22  THR  30          HG22      THR  30  -4.894   4.332   2.383
  213   HG23  THR  30          HG23      THR  30  -5.787   5.330   3.529
  214    H    THR  31           HN       THR  31  -3.385   4.887  -1.241
  215    HA   THR  31           HA       THR  31  -5.652   5.260  -2.997
  216    HB   THR  31           HB       THR  31  -4.241   7.282  -3.414
  217    HG1  THR  31           HG1      THR  31  -4.735   7.167  -5.486
  218   HG21  THR  31          HG21      THR  31  -2.219   5.292  -4.443
  219   HG22  THR  31          HG22      THR  31  -2.050   6.261  -2.978
  220   HG23  THR  31          HG23      THR  31  -2.106   7.047  -4.557
  221    H    TRP  32           HN       TRP  32  -4.894   4.200  -5.262
  222    HA   TRP  32           HA       TRP  32  -3.827   1.576  -4.478
  223    HB2  TRP  32           HB2      TRP  32  -5.340   2.348  -6.994
  224    HB3  TRP  32           HB1      TRP  32  -4.931   0.717  -6.477
  225    HD1  TRP  32           HD1      TRP  32  -7.114   3.688  -5.250
  226    HE1  TRP  32           HE1      TRP  32  -9.167   2.726  -4.024
  227    HE3  TRP  32           HE3      TRP  32  -5.933  -1.292  -5.441
  228    HZ2  TRP  32           HZ2      TRP  32 -10.150   0.206  -3.248
  229    HZ3  TRP  32           HZ3      TRP  32  -7.492  -2.906  -4.428
  230    HH2  TRP  32           HH2      TRP  32  -9.554  -2.170  -3.355
  231    H    SER  33           HN       SER  33  -1.648   1.830  -4.616
  232    HA   SER  33           HA       SER  33  -0.574   2.337  -7.298
  233    HB2  SER  33           HB2      SER  33  -0.299   4.375  -5.858
  234    HB3  SER  33           HB1      SER  33   0.669   3.400  -4.753
  235    HG   SER  33           HG       SER  33   2.296   3.449  -6.106
  236    H    LYS  34           HN       LYS  34   1.356   1.203  -7.767
  237    HA   LYS  34           HA       LYS  34   1.817  -1.092  -6.072
  238    HB2  LYS  34           HB2      LYS  34   2.521  -0.351  -8.828
  239    HB3  LYS  34           HB1      LYS  34   3.772  -1.245  -7.970
  240    HG2  LYS  34           HG2      LYS  34   2.062  -2.953  -7.396
  241    HG3  LYS  34           HG1      LYS  34   0.925  -2.098  -8.441
  242    HD2  LYS  34           HD2      LYS  34   2.279  -2.524 -10.367
  243    HD3  LYS  34           HD1      LYS  34   3.592  -3.148  -9.366
  244    HE2  LYS  34           HE2      LYS  34   0.864  -4.395  -9.727
  245    HE3  LYS  34           HE1      LYS  34   2.384  -4.984 -10.401
  246    HZ1  LYS  34           HZ1      LYS  34   1.565  -4.922  -7.546
  247    HZ2  LYS  34           HZ2      LYS  34   3.175  -5.188  -8.032
  248    HZ3  LYS  34           HZ3      LYS  34   1.961  -6.277  -8.491
  249    HA   PRO  35           HA       PRO  35   4.828   0.429  -3.314
  250    HB2  PRO  35           HB2      PRO  35   6.374  -1.980  -3.843
  251    HB3  PRO  35           HB1      PRO  35   5.555  -1.480  -2.364
  252    HG2  PRO  35           HG2      PRO  35   4.701  -3.378  -4.349
  253    HG3  PRO  35           HG1      PRO  35   3.919  -2.966  -2.817
  254    HD2  PRO  35           HD2      PRO  35   2.935  -2.389  -5.342
  255    HD3  PRO  35           HD1      PRO  35   2.436  -1.582  -3.843
  256    H    THR  36           HN       THR  36   6.821   1.359  -3.260
  257    HA   THR  36           HA       THR  36   8.211   2.140  -5.511
  258    HB   THR  36           HB       THR  36   9.463   1.651  -2.789
  259    HG1  THR  36           HG1      THR  36   8.241   4.048  -3.722
  260   HG21  THR  36          HG21      THR  36  10.166   3.636  -4.968
  261   HG22  THR  36          HG22      THR  36  11.066   2.164  -4.599
  262   HG23  THR  36          HG23      THR  36  10.979   3.468  -3.413
  263    H    MET  37           HN       MET  37   8.910  -0.583  -3.349
  264    HA   MET  37           HA       MET  37  10.696  -1.731  -5.353
  265    HB2  MET  37           HB2      MET  37  10.037  -2.554  -2.517
  266    HB3  MET  37           HB1      MET  37  11.067  -3.494  -3.586
  267    HG2  MET  37           HG2      MET  37  12.654  -1.685  -3.720
  268    HG3  MET  37           HG1      MET  37  11.606  -0.654  -2.749
  269    HE1  MET  37           HE1      MET  37  12.161  -4.528  -2.035
  270    HE2  MET  37           HE2      MET  37  13.681  -4.448  -1.139
  271    HE3  MET  37           HE3      MET  37  13.630  -3.973  -2.835
  272    H    GLN  38           HN       GLN  38   9.399  -2.438  -6.952
  273    HA   GLN  38           HA       GLN  38   6.910  -3.786  -6.403
  274    HB2  GLN  38           HB2      GLN  38   7.748  -2.235  -8.442
  275    HB3  GLN  38           HB1      GLN  38   8.092  -3.818  -9.123
  276    HG2  GLN  38           HG2      GLN  38   5.424  -2.876  -8.107
  277    HG3  GLN  38           HG1      GLN  38   5.901  -3.003  -9.799
  278    H    ASP  39           HN       ASP  39   7.340  -5.691  -5.388
  279    HA   ASP  39           HA       ASP  39   8.391  -7.805  -7.068
  280    HB2  ASP  39           HB2      ASP  39  10.414  -7.120  -5.911
  281    HB3  ASP  39           HB1      ASP  39   9.580  -7.172  -4.359
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  16.813 -11.439  10.215
    2    H2   GLY   1           HT2      GLY   1  16.585 -11.381  11.892
    3    H3   GLY   1           HT3      GLY   1  17.115 -10.004  11.062
    4    HA2  GLY   1           HA1      GLY   1  14.454 -11.290  10.845
    5    HA3  GLY   1           HA2      GLY   1  14.811  -9.733  11.582
    6    H    SER   2           HN       SER   2  13.579 -11.136   8.919
    7    HA   SER   2           HA       SER   2  14.764  -9.290   6.988
    8    HB2  SER   2           HB2      SER   2  12.789 -11.523   6.491
    9    HB3  SER   2           HB1      SER   2  13.810 -10.709   5.301
   10    HG   SER   2           HG       SER   2  14.379 -12.846   6.818
   11    H    SER   3           HN       SER   3  13.053  -8.510   5.282
   12    HA   SER   3           HA       SER   3  11.175  -6.918   6.767
   13    HB2  SER   3           HB2      SER   3  11.699  -7.080   3.790
   14    HB3  SER   3           HB1      SER   3  10.689  -5.869   4.584
   15    HG   SER   3           HG       SER   3  13.486  -6.288   4.921
   16    H    SER   4           HN       SER   4   9.803  -8.557   7.589
   17    HA   SER   4           HA       SER   4   8.111  -9.914   5.646
   18    HB2  SER   4           HB2      SER   4   8.940 -11.189   7.602
   19    HB3  SER   4           HB1      SER   4   8.070 -10.090   8.669
   20    HG   SER   4           HG       SER   4   6.187 -10.925   8.040
   21    H    GLY   5           HN       GLY   5   7.085  -8.084   4.795
   22    HA2  GLY   5           HA2      GLY   5   4.608  -7.416   5.800
   23    HA3  GLY   5           HA1      GLY   5   5.712  -6.193   6.423
   24    H    LEU   6           HN       LEU   6   5.310  -4.423   5.262
   25    HA   LEU   6           HA       LEU   6   5.122  -4.711   2.346
   26    HB2  LEU   6           HB2      LEU   6   4.109  -2.540   4.186
   27    HB3  LEU   6           HB1      LEU   6   4.138  -2.379   2.440
   28    HG   LEU   6           HG       LEU   6   1.926  -2.967   3.009
   29   HD11  LEU   6          HD11      LEU   6   1.625  -5.180   1.982
   30   HD12  LEU   6          HD12      LEU   6   3.364  -5.454   2.104
   31   HD13  LEU   6          HD13      LEU   6   2.745  -4.158   1.079
   32   HD21  LEU   6          HD21      LEU   6   3.031  -5.235   4.656
   33   HD22  LEU   6          HD22      LEU   6   1.324  -4.868   4.402
   34   HD23  LEU   6          HD23      LEU   6   2.349  -3.739   5.287
   35    HA   PRO   7           HA       PRO   7   8.992  -2.735   1.558
   36    HB2  PRO   7           HB2      PRO   7   8.116  -0.950  -0.407
   37    HB3  PRO   7           HB1      PRO   7   8.675  -2.601  -0.675
   38    HG2  PRO   7           HG2      PRO   7   5.896  -1.556  -0.453
   39    HG3  PRO   7           HG1      PRO   7   6.537  -2.843  -1.490
   40    HD2  PRO   7           HD2      PRO   7   5.104  -3.414   0.689
   41    HD3  PRO   7           HD1      PRO   7   6.499  -4.408   0.220
   42    HA   PRO   8           HA       PRO   8   9.490   0.883   3.936
   43    HB2  PRO   8           HB2      PRO   8  11.102   2.020   1.704
   44    HB3  PRO   8           HB1      PRO   8  11.530   1.797   3.404
   45    HG2  PRO   8           HG2      PRO   8  12.514   0.175   1.549
   46    HG3  PRO   8           HG1      PRO   8  12.000  -0.457   3.125
   47    HD2  PRO   8           HD2      PRO   8  10.615  -0.608   0.481
   48    HD3  PRO   8           HD1      PRO   8  10.719  -1.823   1.772
   49    H    GLY   9           HN       GLY   9   7.611   2.020   4.091
   50    HA2  GLY   9           HA2      GLY   9   6.797   4.265   3.903
   51    HA3  GLY   9           HA1      GLY   9   7.384   4.302   2.246
   52    H    TRP  10           HN       TRP  10   5.805   1.404   3.150
   53    HA   TRP  10           HA       TRP  10   3.272   2.356   2.002
   54    HB2  TRP  10           HB2      TRP  10   4.815  -0.087   1.100
   55    HB3  TRP  10           HB1      TRP  10   3.160   0.280   0.617
   56    HD1  TRP  10           HD1      TRP  10   6.768   1.429   0.065
   57    HE1  TRP  10           HE1      TRP  10   6.846   2.961  -2.005
   58    HE3  TRP  10           HE3      TRP  10   1.752   1.864  -0.792
   59    HZ2  TRP  10           HZ2      TRP  10   5.006   4.173  -3.770
   60    HZ3  TRP  10           HZ3      TRP  10   0.987   3.217  -2.695
   61    HH2  TRP  10           HH2      TRP  10   2.589   4.355  -4.157
   62    H    GLU  11           HN       GLU  11   1.430   1.074   2.518
   63    HA   GLU  11           HA       GLU  11   1.758  -0.974   4.583
   64    HB2  GLU  11           HB2      GLU  11   1.489   1.515   5.458
   65    HB3  GLU  11           HB1      GLU  11  -0.201   1.220   5.099
   66    HG2  GLU  11           HG2      GLU  11  -0.065   0.652   7.319
   67    HG3  GLU  11           HG1      GLU  11   0.132  -0.914   6.533
   68    H    GLU  12           HN       GLU  12   0.496  -2.633   3.835
   69    HA   GLU  12           HA       GLU  12  -1.659  -2.020   1.988
   70    HB2  GLU  12           HB2      GLU  12  -0.021  -3.901   1.620
   71    HB3  GLU  12           HB1      GLU  12  -0.792  -4.737   2.960
   72    HG2  GLU  12           HG2      GLU  12  -2.952  -4.566   1.701
   73    HG3  GLU  12           HG1      GLU  12  -2.024  -3.975   0.325
   74    H    LYS  13           HN       LYS  13  -3.570  -1.469   2.826
   75    HA   LYS  13           HA       LYS  13  -4.697  -3.172   4.936
   76    HB2  LYS  13           HB2      LYS  13  -4.400  -0.212   4.988
   77    HB3  LYS  13           HB1      LYS  13  -5.918  -0.872   5.573
   78    HG2  LYS  13           HG2      LYS  13  -4.594  -0.687   7.482
   79    HG3  LYS  13           HG1      LYS  13  -4.512  -2.395   7.049
   80    HD2  LYS  13           HD2      LYS  13  -2.364  -1.861   5.836
   81    HD3  LYS  13           HD1      LYS  13  -2.427  -0.266   6.590
   82    HE2  LYS  13           HE2      LYS  13  -2.305  -2.918   8.018
   83    HE3  LYS  13           HE1      LYS  13  -0.994  -1.756   7.864
   84    HZ1  LYS  13           HZ1      LYS  13  -1.996  -1.542  10.014
   85    HZ2  LYS  13           HZ2      LYS  13  -3.544  -1.356   9.339
   86    HZ3  LYS  13           HZ3      LYS  13  -2.373  -0.153   9.108
   87    H    GLN  14           HN       GLN  14  -6.994  -3.346   4.898
   88    HA   GLN  14           HA       GLN  14  -8.080  -2.749   2.228
   89    HB2  GLN  14           HB2      GLN  14  -9.311  -4.782   2.310
   90    HB3  GLN  14           HB1      GLN  14  -7.673  -5.166   2.800
   91    HG2  GLN  14           HG2      GLN  14  -9.979  -4.764   4.691
   92    HG3  GLN  14           HG1      GLN  14  -9.388  -6.323   4.129
   93   HE21  GLN  14          HE21      GLN  14  -8.764  -3.577   6.176
   94   HE22  GLN  14          HE22      GLN  14  -7.472  -4.299   7.088
   95    H    ASP  15           HN       ASP  15 -10.292  -2.207   2.040
   96    HA   ASP  15           HA       ASP  15 -11.443  -0.759   4.248
   97    HB2  ASP  15           HB2      ASP  15 -12.645  -1.563   1.587
   98    HB3  ASP  15           HB1      ASP  15 -13.417  -0.496   2.748
   99    H    ASP  16           HN       ASP  16 -13.836  -1.237   4.785
  100    HA   ASP  16           HA       ASP  16 -14.188  -3.900   5.725
  101    HB2  ASP  16           HB2      ASP  16 -16.296  -1.774   5.273
  102    HB3  ASP  16           HB1      ASP  16 -16.463  -3.202   6.289
  103    H    ARG  17           HN       ARG  17 -14.402  -2.509   2.717
  104    HA   ARG  17           HA       ARG  17 -16.601  -4.040   1.653
  105    HB2  ARG  17           HB2      ARG  17 -14.574  -2.460   0.072
  106    HB3  ARG  17           HB1      ARG  17 -16.242  -2.823  -0.352
  107    HG2  ARG  17           HG2      ARG  17 -17.067  -1.323   1.318
  108    HG3  ARG  17           HG1      ARG  17 -15.443  -1.067   1.959
  109    HD2  ARG  17           HD2      ARG  17 -15.841   0.830   0.671
  110    HD3  ARG  17           HD1      ARG  17 -14.874  -0.195  -0.386
  111    HE   ARG  17           HE       ARG  17 -17.705  -0.533  -0.739
  112   HH11  ARG  17          HH11      ARG  17 -14.864   1.277  -1.707
  113   HH12  ARG  17          HH12      ARG  17 -15.628   1.963  -3.111
  114   HH21  ARG  17          HH21      ARG  17 -18.692   0.333  -2.617
  115   HH22  ARG  17          HH22      ARG  17 -17.778   1.394  -3.648
  116    H    GLY  18           HN       GLY  18 -13.401  -4.665   2.368
  117    HA2  GLY  18           HA2      GLY  18 -12.388  -6.771   2.068
  118    HA3  GLY  18           HA1      GLY  18 -13.458  -7.068   0.706
  119    H    ARG  19           HN       ARG  19 -12.445  -4.065   0.108
  120    HA   ARG  19           HA       ARG  19 -10.508  -4.967  -1.828
  121    HB2  ARG  19           HB2      ARG  19 -11.638  -2.242  -1.225
  122    HB3  ARG  19           HB1      ARG  19 -10.524  -2.578  -2.538
  123    HG2  ARG  19           HG2      ARG  19 -13.154  -4.002  -2.246
  124    HG3  ARG  19           HG1      ARG  19 -12.969  -2.485  -3.125
  125    HD2  ARG  19           HD2      ARG  19 -11.265  -3.533  -4.536
  126    HD3  ARG  19           HD1      ARG  19 -11.522  -5.059  -3.695
  127    HE   ARG  19           HE       ARG  19 -13.908  -4.843  -4.537
  128   HH11  ARG  19          HH11      ARG  19 -11.128  -3.622  -6.280
  129   HH12  ARG  19          HH12      ARG  19 -11.902  -3.701  -7.834
  130   HH21  ARG  19          HH21      ARG  19 -14.926  -4.951  -6.586
  131   HH22  ARG  19          HH22      ARG  19 -14.047  -4.465  -8.007
  132    H    SER  20           HN       SER  20  -8.415  -5.228  -1.263
  133    HA   SER  20           HA       SER  20  -7.319  -3.723   0.971
  134    HB2  SER  20           HB2      SER  20  -6.853  -6.168   0.662
  135    HB3  SER  20           HB1      SER  20  -5.947  -5.769  -0.793
  136    HG   SER  20           HG       SER  20  -4.452  -5.850   0.800
  137    H    TYR  21           HN       TYR  21  -6.513  -1.781   0.645
  138    HA   TYR  21           HA       TYR  21  -5.353  -1.117  -1.970
  139    HB2  TYR  21           HB2      TYR  21  -5.670   1.276  -1.171
  140    HB3  TYR  21           HB1      TYR  21  -7.148   0.373  -1.486
  141    HD1  TYR  21           HD2      TYR  21  -4.898   1.515   1.248
  142    HD2  TYR  21           HD1      TYR  21  -8.764   0.090   0.205
  143    HE1  TYR  21           HE2      TYR  21  -5.687   2.014   3.525
  144    HE2  TYR  21           HE1      TYR  21  -9.563   0.584   2.477
  145    HH   TYR  21           HH       TYR  21  -8.698   0.902   4.716
  146    H    TYR  22           HN       TYR  22  -3.704   0.854  -1.568
  147    HA   TYR  22           HA       TYR  22  -1.825  -0.130   0.456
  148    HB2  TYR  22           HB2      TYR  22  -1.065   1.083  -2.205
  149    HB3  TYR  22           HB1      TYR  22   0.005   0.295  -1.045
  150    HD1  TYR  22           HD2      TYR  22  -0.947  -2.205  -0.402
  151    HD2  TYR  22           HD1      TYR  22  -1.518  -0.154  -4.082
  152    HE1  TYR  22           HE2      TYR  22  -1.279  -4.358  -1.547
  153    HE2  TYR  22           HE1      TYR  22  -1.844  -2.299  -5.243
  154    HH   TYR  22           HH       TYR  22  -1.227  -4.684  -4.918
  155    H    VAL  23           HN       VAL  23  -1.301   1.291   1.947
  156    HA   VAL  23           HA       VAL  23  -2.010   4.090   1.525
  157    HB   VAL  23           HB       VAL  23  -1.110   2.702   4.043
  158   HG11  VAL  23          HG11      VAL  23  -0.630   5.090   4.059
  159   HG12  VAL  23          HG12      VAL  23  -1.915   4.698   5.201
  160   HG13  VAL  23          HG13      VAL  23  -2.309   5.437   3.646
  161   HG21  VAL  23          HG21      VAL  23  -3.260   1.850   3.261
  162   HG22  VAL  23          HG22      VAL  23  -3.886   3.497   3.184
  163   HG23  VAL  23          HG23      VAL  23  -3.446   2.792   4.741
  164    H    ASP  24           HN       ASP  24  -0.506   5.143   0.523
  165    HA   ASP  24           HA       ASP  24   2.277   4.528   0.675
  166    HB2  ASP  24           HB2      ASP  24   1.436   5.311  -1.412
  167    HB3  ASP  24           HB1      ASP  24   0.660   6.699  -0.651
  168    H    HIS  25           HN       HIS  25   3.312   4.956   2.496
  169    HA   HIS  25           HA       HIS  25   2.801   7.344   4.059
  170    HB2  HIS  25           HB2      HIS  25   4.902   5.181   4.347
  171    HB3  HIS  25           HB1      HIS  25   4.684   6.513   5.471
  172    HD1  HIS  25           HD1      HIS  25   2.116   6.567   6.538
  173    HD2  HIS  25           HD2      HIS  25   3.584   2.943   5.112
  174    HE1  HIS  25           HE1      HIS  25   0.752   4.784   7.669
  175    HE2  HIS  25           HE2      HIS  25   1.881   2.623   7.025
  176    H    ASN  26           HN       ASN  26   4.659   6.449   1.393
  177    HA   ASN  26           HA       ASN  26   7.021   7.920   1.819
  178    HB2  ASN  26           HB2      ASN  26   7.486   6.543   0.111
  179    HB3  ASN  26           HB1      ASN  26   5.793   6.386  -0.340
  180   HD21  ASN  26          HD21      ASN  26   5.005   7.556  -2.002
  181   HD22  ASN  26          HD22      ASN  26   5.975   8.585  -3.009
  182    H    SER  27           HN       SER  27   4.090   8.758  -0.035
  183    HA   SER  27           HA       SER  27   4.944  11.576   0.111
  184    HB2  SER  27           HB2      SER  27   4.831  10.612  -2.205
  185    HB3  SER  27           HB1      SER  27   3.111  10.336  -1.957
  186    HG   SER  27           HG       SER  27   3.042  12.681  -1.469
  187    H    LYS  28           HN       LYS  28   2.862   9.326   1.307
  188    HA   LYS  28           HA       LYS  28   1.238   9.506   2.879
  189    HB2  LYS  28           HB2      LYS  28   1.445  12.486   2.441
  190    HB3  LYS  28           HB1      LYS  28   0.543  11.702   3.731
  191    HG2  LYS  28           HG2      LYS  28   2.528  10.919   4.768
  192    HG3  LYS  28           HG1      LYS  28   3.509  11.358   3.368
  193    HD2  LYS  28           HD2      LYS  28   2.044  13.279   5.174
  194    HD3  LYS  28           HD1      LYS  28   3.784  12.978   5.181
  195    HE2  LYS  28           HE2      LYS  28   3.986  13.843   2.937
  196    HE3  LYS  28           HE1      LYS  28   2.237  14.005   2.808
  197    HZ1  LYS  28           HZ1      LYS  28   2.385  15.591   4.703
  198    HZ2  LYS  28           HZ2      LYS  28   3.109  16.130   3.271
  199    HZ3  LYS  28           HZ3      LYS  28   4.075  15.557   4.540
  200    H    THR  29           HN       THR  29   0.023   8.421   1.179
  201    HA   THR  29           HA       THR  29  -2.492   9.755   0.871
  202    HB   THR  29           HB       THR  29  -1.385  10.639  -1.126
  203    HG1  THR  29           HG1      THR  29  -2.979   9.969  -2.599
  204   HG21  THR  29          HG21      THR  29  -0.676   9.137  -2.942
  205   HG22  THR  29          HG22      THR  29  -0.991   7.746  -1.908
  206   HG23  THR  29          HG23      THR  29   0.284   8.888  -1.480
  207    H    THR  30           HN       THR  30  -4.202   8.300   0.329
  208    HA   THR  30           HA       THR  30  -3.453   5.473   0.672
  209    HB   THR  30           HB       THR  30  -6.044   6.881   1.343
  210    HG1  THR  30           HG1      THR  30  -3.841   5.975   2.884
  211   HG21  THR  30          HG21      THR  30  -6.678   4.765   2.432
  212   HG22  THR  30          HG22      THR  30  -5.213   4.012   1.803
  213   HG23  THR  30          HG23      THR  30  -6.466   4.569   0.693
  214    H    THR  31           HN       THR  31  -3.358   4.570  -1.349
  215    HA   THR  31           HA       THR  31  -5.749   4.574  -2.965
  216    HB   THR  31           HB       THR  31  -4.728   6.768  -3.557
  217    HG1  THR  31           HG1      THR  31  -5.999   5.877  -5.144
  218   HG21  THR  31          HG21      THR  31  -2.484   5.057  -4.639
  219   HG22  THR  31          HG22      THR  31  -2.377   6.230  -3.323
  220   HG23  THR  31          HG23      THR  31  -2.701   6.775  -4.970
  221    H    TRP  32           HN       TRP  32  -5.051   3.548  -5.294
  222    HA   TRP  32           HA       TRP  32  -3.439   1.209  -4.607
  223    HB2  TRP  32           HB2      TRP  32  -5.529   1.730  -6.677
  224    HB3  TRP  32           HB1      TRP  32  -4.321   0.487  -6.987
  225    HD1  TRP  32           HD1      TRP  32  -4.452  -1.744  -5.556
  226    HE1  TRP  32           HE1      TRP  32  -6.311  -2.760  -4.093
  227    HE3  TRP  32           HE3      TRP  32  -7.406   2.390  -5.022
  228    HZ2  TRP  32           HZ2      TRP  32  -8.723  -1.915  -2.882
  229    HZ3  TRP  32           HZ3      TRP  32  -9.475   2.201  -3.696
  230    HH2  TRP  32           HH2      TRP  32 -10.113   0.096  -2.651
  231    H    SER  33           HN       SER  33  -1.354   1.857  -4.831
  232    HA   SER  33           HA       SER  33  -0.498   2.417  -7.575
  233    HB2  SER  33           HB2      SER  33   0.476   3.859  -5.095
  234    HB3  SER  33           HB1      SER  33   1.247   3.969  -6.679
  235    HG   SER  33           HG       SER  33  -1.423   4.412  -6.846
  236    H    LYS  34           HN       LYS  34   1.582   1.577  -8.135
  237    HA   LYS  34           HA       LYS  34   2.416  -0.759  -6.803
  238    HB2  LYS  34           HB2      LYS  34   3.084   0.328  -9.195
  239    HB3  LYS  34           HB1      LYS  34   4.495   0.770  -8.242
  240    HG2  LYS  34           HG2      LYS  34   4.399  -1.777  -7.558
  241    HG3  LYS  34           HG1      LYS  34   3.568  -1.902  -9.107
  242    HD2  LYS  34           HD2      LYS  34   6.321  -0.770  -8.619
  243    HD3  LYS  34           HD1      LYS  34   5.927  -2.293  -9.415
  244    HE2  LYS  34           HE2      LYS  34   4.767  -1.047 -11.188
  245    HE3  LYS  34           HE1      LYS  34   5.220   0.466 -10.404
  246    HZ1  LYS  34           HZ1      LYS  34   6.990  -1.522 -11.707
  247    HZ2  LYS  34           HZ2      LYS  34   7.591  -0.348 -10.654
  248    HZ3  LYS  34           HZ3      LYS  34   6.811   0.122 -12.077
  249    HA   PRO  35           HA       PRO  35   4.698   0.966  -3.376
  250    HB2  PRO  35           HB2      PRO  35   6.049  -1.272  -2.699
  251    HB3  PRO  35           HB1      PRO  35   4.323  -1.074  -2.372
  252    HG2  PRO  35           HG2      PRO  35   5.661  -2.518  -4.634
  253    HG3  PRO  35           HG1      PRO  35   4.306  -3.038  -3.624
  254    HD2  PRO  35           HD2      PRO  35   3.944  -2.020  -6.081
  255    HD3  PRO  35           HD1      PRO  35   2.781  -1.759  -4.764
  256    H    THR  36           HN       THR  36   6.986   1.227  -2.697
  257    HA   THR  36           HA       THR  36   8.693   1.840  -4.881
  258    HB   THR  36           HB       THR  36   9.535   1.629  -1.986
  259    HG1  THR  36           HG1      THR  36   8.978   4.115  -2.498
  260   HG21  THR  36          HG21      THR  36  11.346   1.951  -3.610
  261   HG22  THR  36          HG22      THR  36  11.113   3.395  -2.624
  262   HG23  THR  36          HG23      THR  36  10.502   3.348  -4.276
  263    H    MET  37           HN       MET  37   8.767  -0.151  -5.947
  264    HA   MET  37           HA       MET  37  11.125  -1.635  -5.446
  265    HB2  MET  37           HB2      MET  37   9.776  -2.807  -3.798
  266    HB3  MET  37           HB1      MET  37   8.478  -3.027  -4.966
  267    HG2  MET  37           HG2      MET  37   9.966  -4.447  -6.319
  268    HG3  MET  37           HG1      MET  37  11.221  -4.264  -5.096
  269    HE1  MET  37           HE1      MET  37   7.353  -4.619  -4.493
  270    HE2  MET  37           HE2      MET  37   7.186  -6.366  -4.289
  271    HE3  MET  37           HE3      MET  37   7.625  -5.701  -5.861
  272    H    GLN  38           HN       GLN  38  11.849  -1.838  -7.478
  273    HA   GLN  38           HA       GLN  38   9.995  -1.759  -9.680
  274    HB2  GLN  38           HB2      GLN  38  12.253  -0.618  -9.690
  275    HB3  GLN  38           HB1      GLN  38  12.976  -2.219  -9.821
  276    HG2  GLN  38           HG2      GLN  38  12.779  -1.095 -11.991
  277    HG3  GLN  38           HG1      GLN  38  11.853  -2.595 -11.925
  278    H    ASP  39           HN       ASP  39   9.335  -3.414 -10.918
  279    HA   ASP  39           HA       ASP  39  10.358  -6.092 -10.239
  280    HB2  ASP  39           HB2      ASP  39   8.038  -5.705  -9.423
  281    HB3  ASP  39           HB1      ASP  39   7.539  -5.388 -11.081
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  13.782 -15.641   4.625
    2    H2   GLY   1           HT2      GLY   1  13.314 -16.744   3.430
    3    H3   GLY   1           HT3      GLY   1  12.148 -16.064   4.452
    4    HA2  GLY   1           HA1      GLY   1  13.748 -14.653   2.384
    5    HA3  GLY   1           HA2      GLY   1  12.022 -14.991   2.323
    6    H    SER   2           HN       SER   2  13.389 -12.415   2.176
    7    HA   SER   2           HA       SER   2  12.854 -11.134   4.733
    8    HB2  SER   2           HB2      SER   2  13.785  -9.898   2.129
    9    HB3  SER   2           HB1      SER   2  13.843  -9.157   3.728
   10    HG   SER   2           HG       SER   2  15.820  -9.956   3.597
   11    H    SER   3           HN       SER   3  10.924 -10.346   5.221
   12    HA   SER   3           HA       SER   3   9.373  -8.954   3.188
   13    HB2  SER   3           HB2      SER   3   7.274 -10.151   4.007
   14    HB3  SER   3           HB1      SER   3   8.368 -11.101   3.000
   15    HG   SER   3           HG       SER   3   7.567 -12.135   4.978
   16    H    SER   4           HN       SER   4   8.842 -10.136   6.518
   17    HA   SER   4           HA       SER   4   8.457  -9.079   8.487
   18    HB2  SER   4           HB2      SER   4   9.380  -6.550   7.099
   19    HB3  SER   4           HB1      SER   4   9.203  -6.775   8.838
   20    HG   SER   4           HG       SER   4  11.262  -7.449   7.221
   21    H    GLY   5           HN       GLY   5   7.551  -6.645   6.043
   22    HA2  GLY   5           HA2      GLY   5   4.737  -6.961   6.762
   23    HA3  GLY   5           HA1      GLY   5   5.463  -5.394   7.085
   24    H    LEU   6           HN       LEU   6   5.018  -3.982   5.597
   25    HA   LEU   6           HA       LEU   6   4.777  -4.877   2.807
   26    HB2  LEU   6           HB2      LEU   6   3.790  -2.379   4.191
   27    HB3  LEU   6           HB1      LEU   6   3.769  -2.576   2.454
   28    HG   LEU   6           HG       LEU   6   1.579  -3.036   3.212
   29   HD11  LEU   6          HD11      LEU   6   1.216  -5.314   2.504
   30   HD12  LEU   6          HD12      LEU   6   2.920  -5.692   2.747
   31   HD13  LEU   6          HD13      LEU   6   2.442  -4.552   1.490
   32   HD21  LEU   6          HD21      LEU   6   1.044  -4.716   4.905
   33   HD22  LEU   6          HD22      LEU   6   2.031  -3.416   5.570
   34   HD23  LEU   6          HD23      LEU   6   2.766  -4.976   5.196
   35    HA   PRO   7           HA       PRO   7   8.509  -3.036   1.364
   36    HB2  PRO   7           HB2      PRO   7   7.512  -1.184  -0.498
   37    HB3  PRO   7           HB1      PRO   7   7.939  -2.868  -0.822
   38    HG2  PRO   7           HG2      PRO   7   5.273  -1.662  -0.228
   39    HG3  PRO   7           HG1      PRO   7   5.683  -2.963  -1.361
   40    HD2  PRO   7           HD2      PRO   7   4.524  -3.513   0.967
   41    HD3  PRO   7           HD1      PRO   7   5.832  -4.553   0.353
   42    HA   PRO   8           HA       PRO   8   9.637   0.561   3.619
   43    HB2  PRO   8           HB2      PRO   8  10.878   1.434   1.038
   44    HB3  PRO   8           HB1      PRO   8  11.571   1.407   2.664
   45    HG2  PRO   8           HG2      PRO   8  12.202  -0.481   0.911
   46    HG3  PRO   8           HG1      PRO   8  11.934  -0.886   2.616
   47    HD2  PRO   8           HD2      PRO   8  10.195  -1.376   0.257
   48    HD3  PRO   8           HD1      PRO   8  10.383  -2.330   1.740
   49    H    GLY   9           HN       GLY   9   7.980   1.878   4.080
   50    HA2  GLY   9           HA2      GLY   9   7.024   4.003   3.957
   51    HA3  GLY   9           HA1      GLY   9   7.567   4.127   2.291
   52    H    TRP  10           HN       TRP  10   5.971   1.191   2.912
   53    HA   TRP  10           HA       TRP  10   3.425   2.338   1.991
   54    HB2  TRP  10           HB2      TRP  10   4.778  -0.165   0.961
   55    HB3  TRP  10           HB1      TRP  10   3.127   0.309   0.568
   56    HD1  TRP  10           HD1      TRP  10   6.755   1.364  -0.052
   57    HE1  TRP  10           HE1      TRP  10   6.818   2.915  -2.095
   58    HE3  TRP  10           HE3      TRP  10   1.740   1.872  -0.839
   59    HZ2  TRP  10           HZ2      TRP  10   4.986   4.184  -3.827
   60    HZ3  TRP  10           HZ3      TRP  10   0.975   3.268  -2.711
   61    HH2  TRP  10           HH2      TRP  10   2.567   4.401  -4.176
   62    H    GLU  11           HN       GLU  11   1.544   1.108   2.548
   63    HA   GLU  11           HA       GLU  11   1.855  -1.134   4.352
   64    HB2  GLU  11           HB2      GLU  11   2.025   1.211   5.581
   65    HB3  GLU  11           HB1      GLU  11   0.275   1.138   5.457
   66    HG2  GLU  11           HG2      GLU  11   0.190  -0.878   6.725
   67    HG3  GLU  11           HG1      GLU  11   1.950  -1.033   6.685
   68    H    GLU  12           HN       GLU  12   0.234  -2.525   3.980
   69    HA   GLU  12           HA       GLU  12  -1.829  -1.679   2.115
   70    HB2  GLU  12           HB2      GLU  12  -0.454  -3.717   1.709
   71    HB3  GLU  12           HB1      GLU  12  -1.180  -4.453   3.128
   72    HG2  GLU  12           HG2      GLU  12  -3.382  -4.310   2.075
   73    HG3  GLU  12           HG1      GLU  12  -2.641  -3.594   0.643
   74    H    LYS  13           HN       LYS  13  -3.764  -1.102   2.758
   75    HA   LYS  13           HA       LYS  13  -4.972  -2.468   5.067
   76    HB2  LYS  13           HB2      LYS  13  -4.996   0.466   4.412
   77    HB3  LYS  13           HB1      LYS  13  -6.340  -0.253   5.284
   78    HG2  LYS  13           HG2      LYS  13  -4.930   0.631   6.929
   79    HG3  LYS  13           HG1      LYS  13  -4.621  -1.106   6.944
   80    HD2  LYS  13           HD2      LYS  13  -2.657  -0.673   5.452
   81    HD3  LYS  13           HD1      LYS  13  -2.927   1.051   5.702
   82    HE2  LYS  13           HE2      LYS  13  -2.317  -0.989   7.831
   83    HE3  LYS  13           HE1      LYS  13  -1.212   0.235   7.208
   84    HZ1  LYS  13           HZ1      LYS  13  -2.869   1.920   8.015
   85    HZ2  LYS  13           HZ2      LYS  13  -2.067   1.061   9.225
   86    HZ3  LYS  13           HZ3      LYS  13  -3.663   0.659   8.826
   87    H    GLN  14           HN       GLN  14  -7.024  -3.179   4.764
   88    HA   GLN  14           HA       GLN  14  -7.976  -3.002   2.000
   89    HB2  GLN  14           HB2      GLN  14  -9.141  -5.052   2.359
   90    HB3  GLN  14           HB1      GLN  14  -7.523  -5.261   3.005
   91    HG2  GLN  14           HG2      GLN  14  -9.971  -4.653   4.657
   92    HG3  GLN  14           HG1      GLN  14  -9.295  -6.259   4.408
   93   HE21  GLN  14          HE21      GLN  14  -8.894  -3.181   5.958
   94   HE22  GLN  14          HE22      GLN  14  -7.634  -3.665   7.053
   95    H    ASP  15           HN       ASP  15 -10.157  -2.621   1.540
   96    HA   ASP  15           HA       ASP  15 -11.582  -0.834   3.219
   97    HB2  ASP  15           HB2      ASP  15 -12.574  -2.526   0.902
   98    HB3  ASP  15           HB1      ASP  15 -13.502  -1.251   1.674
   99    H    ASP  16           HN       ASP  16 -13.874  -1.354   3.963
  100    HA   ASP  16           HA       ASP  16 -13.903  -3.578   5.715
  101    HB2  ASP  16           HB2      ASP  16 -15.272  -1.561   6.108
  102    HB3  ASP  16           HB1      ASP  16 -16.233  -1.935   4.681
  103    H    ARG  17           HN       ARG  17 -14.620  -3.189   2.408
  104    HA   ARG  17           HA       ARG  17 -16.343  -5.506   2.241
  105    HB2  ARG  17           HB2      ARG  17 -16.631  -4.891  -0.085
  106    HB3  ARG  17           HB1      ARG  17 -16.832  -3.477   0.935
  107    HG2  ARG  17           HG2      ARG  17 -14.446  -2.895   0.420
  108    HG3  ARG  17           HG1      ARG  17 -14.477  -4.182  -0.780
  109    HD2  ARG  17           HD2      ARG  17 -16.155  -1.682  -0.713
  110    HD3  ARG  17           HD1      ARG  17 -14.930  -2.123  -1.903
  111    HE   ARG  17           HE       ARG  17 -17.176  -3.952  -1.703
  112   HH11  ARG  17          HH11      ARG  17 -15.813  -1.153  -3.291
  113   HH12  ARG  17          HH12      ARG  17 -16.866  -1.248  -4.670
  114   HH21  ARG  17          HH21      ARG  17 -18.568  -4.104  -3.545
  115   HH22  ARG  17          HH22      ARG  17 -18.409  -2.947  -4.829
  116    H    GLY  18           HN       GLY  18 -13.097  -5.218   2.528
  117    HA2  GLY  18           HA2      GLY  18 -11.937  -7.340   2.575
  118    HA3  GLY  18           HA1      GLY  18 -12.806  -7.796   1.122
  119    H    ARG  19           HN       ARG  19 -12.349  -5.554  -0.488
  120    HA   ARG  19           HA       ARG  19  -9.897  -6.241  -1.621
  121    HB2  ARG  19           HB2      ARG  19 -11.703  -3.889  -1.996
  122    HB3  ARG  19           HB1      ARG  19 -10.146  -3.941  -2.799
  123    HG2  ARG  19           HG2      ARG  19 -12.277  -6.047  -3.064
  124    HG3  ARG  19           HG1      ARG  19 -12.011  -4.727  -4.206
  125    HD2  ARG  19           HD2      ARG  19 -10.825  -6.450  -5.177
  126    HD3  ARG  19           HD1      ARG  19  -9.587  -5.602  -4.255
  127    HE   ARG  19           HE       ARG  19 -10.832  -7.781  -2.826
  128   HH11  ARG  19          HH11      ARG  19  -8.184  -6.830  -4.924
  129   HH12  ARG  19          HH12      ARG  19  -7.262  -8.272  -4.605
  130   HH21  ARG  19          HH21      ARG  19  -9.596  -9.647  -2.379
  131   HH22  ARG  19          HH22      ARG  19  -8.044  -9.850  -3.148
  132    H    SER  20           HN       SER  20  -7.862  -5.601  -1.374
  133    HA   SER  20           HA       SER  20  -7.327  -3.783   0.847
  134    HB2  SER  20           HB2      SER  20  -5.430  -5.678  -0.550
  135    HB3  SER  20           HB1      SER  20  -5.165  -4.855   0.987
  136    HG   SER  20           HG       SER  20  -7.463  -6.214   1.123
  137    H    TYR  21           HN       TYR  21  -6.584  -1.813   0.510
  138    HA   TYR  21           HA       TYR  21  -5.231  -1.210  -2.035
  139    HB2  TYR  21           HB2      TYR  21  -5.858   1.174  -1.579
  140    HB3  TYR  21           HB1      TYR  21  -7.242   0.117  -1.819
  141    HD1  TYR  21           HD2      TYR  21  -5.322   2.027   0.680
  142    HD2  TYR  21           HD1      TYR  21  -8.828  -0.263  -0.067
  143    HE1  TYR  21           HE2      TYR  21  -6.273   2.797   2.811
  144    HE2  TYR  21           HE1      TYR  21  -9.793   0.508   2.057
  145    HH   TYR  21           HH       TYR  21  -9.077   1.392   4.183
  146    H    TYR  22           HN       TYR  22  -3.866   1.038  -1.441
  147    HA   TYR  22           HA       TYR  22  -2.142   0.182   0.777
  148    HB2  TYR  22           HB2      TYR  22  -1.230   1.321  -1.872
  149    HB3  TYR  22           HB1      TYR  22  -0.178   0.891  -0.523
  150    HD1  TYR  22           HD2      TYR  22  -0.246  -1.562   0.264
  151    HD2  TYR  22           HD1      TYR  22  -1.718  -0.242  -3.496
  152    HE1  TYR  22           HE2      TYR  22  -0.051  -3.852  -0.608
  153    HE2  TYR  22           HE1      TYR  22  -1.526  -2.522  -4.385
  154    HH   TYR  22           HH       TYR  22  -0.126  -4.583  -3.854
  155    H    VAL  23           HN       VAL  23  -1.687   1.648   2.253
  156    HA   VAL  23           HA       VAL  23  -2.149   4.459   1.615
  157    HB   VAL  23           HB       VAL  23  -1.944   4.963   3.961
  158   HG11  VAL  23          HG11      VAL  23  -3.718   2.578   3.499
  159   HG12  VAL  23          HG12      VAL  23  -4.126   4.269   3.224
  160   HG13  VAL  23          HG13      VAL  23  -3.849   3.688   4.865
  161   HG21  VAL  23          HG21      VAL  23  -1.285   2.051   4.375
  162   HG22  VAL  23          HG22      VAL  23  -1.618   3.208   5.662
  163   HG23  VAL  23          HG23      VAL  23  -0.206   3.425   4.627
  164    H    ASP  24           HN       ASP  24  -0.548   5.729   1.155
  165    HA   ASP  24           HA       ASP  24   2.106   4.551   1.011
  166    HB2  ASP  24           HB2      ASP  24   1.630   5.287  -1.090
  167    HB3  ASP  24           HB1      ASP  24   0.570   6.569  -0.522
  168    H    HIS  25           HN       HIS  25   3.455   4.971   2.577
  169    HA   HIS  25           HA       HIS  25   3.232   7.382   4.174
  170    HB2  HIS  25           HB2      HIS  25   5.246   5.122   4.296
  171    HB3  HIS  25           HB1      HIS  25   5.160   6.455   5.436
  172    HD1  HIS  25           HD1      HIS  25   2.593   6.587   6.624
  173    HD2  HIS  25           HD2      HIS  25   3.982   2.936   5.196
  174    HE1  HIS  25           HE1      HIS  25   1.291   4.835   7.861
  175    HE2  HIS  25           HE2      HIS  25   2.335   2.644   7.173
  176    H    ASN  26           HN       ASN  26   4.704   6.441   1.314
  177    HA   ASN  26           HA       ASN  26   7.189   7.821   1.565
  178    HB2  ASN  26           HB2      ASN  26   7.398   6.160  -0.001
  179    HB3  ASN  26           HB1      ASN  26   5.745   6.352  -0.577
  180   HD21  ASN  26          HD21      ASN  26   5.332   7.652  -2.279
  181   HD22  ASN  26          HD22      ASN  26   6.559   8.443  -3.212
  182    H    SER  27           HN       SER  27   4.136   8.567  -0.135
  183    HA   SER  27           HA       SER  27   5.098  11.345  -0.381
  184    HB2  SER  27           HB2      SER  27   4.550  10.150  -2.517
  185    HB3  SER  27           HB1      SER  27   2.885  10.007  -1.960
  186    HG   SER  27           HG       SER  27   2.976  12.388  -1.761
  187    H    LYS  28           HN       LYS  28   3.176   9.435   1.471
  188    HA   LYS  28           HA       LYS  28   1.826   9.907   3.225
  189    HB2  LYS  28           HB2      LYS  28   2.623  12.685   2.453
  190    HB3  LYS  28           HB1      LYS  28   1.322  12.461   3.609
  191    HG2  LYS  28           HG2      LYS  28   3.339  12.791   4.823
  192    HG3  LYS  28           HG1      LYS  28   2.864  11.102   5.005
  193    HD2  LYS  28           HD2      LYS  28   5.248  11.238   4.647
  194    HD3  LYS  28           HD1      LYS  28   4.487  10.496   3.239
  195    HE2  LYS  28           HE2      LYS  28   4.624  12.586   2.031
  196    HE3  LYS  28           HE1      LYS  28   5.277  13.396   3.453
  197    HZ1  LYS  28           HZ1      LYS  28   7.201  11.916   3.336
  198    HZ2  LYS  28           HZ2      LYS  28   7.034  12.846   1.928
  199    HZ3  LYS  28           HZ3      LYS  28   6.581  11.214   1.925
  200    H    THR  29           HN       THR  29   0.630   9.112   0.894
  201    HA   THR  29           HA       THR  29  -1.981  10.413   1.211
  202    HB   THR  29           HB       THR  29  -0.975  11.357  -0.842
  203    HG1  THR  29           HG1      THR  29  -3.114  11.304  -1.126
  204   HG21  THR  29          HG21      THR  29  -0.643   9.919  -2.809
  205   HG22  THR  29          HG22      THR  29  -0.939   8.499  -1.805
  206   HG23  THR  29          HG23      THR  29   0.466   9.520  -1.498
  207    H    THR  30           HN       THR  30  -3.748   8.986   0.164
  208    HA   THR  30           HA       THR  30  -2.981   6.153   0.420
  209    HB   THR  30           HB       THR  30  -4.360   6.718   2.321
  210    HG1  THR  30           HG1      THR  30  -4.777   4.698   1.046
  211   HG21  THR  30          HG21      THR  30  -6.393   7.719   0.326
  212   HG22  THR  30          HG22      THR  30  -5.485   8.695   1.480
  213   HG23  THR  30          HG23      THR  30  -6.672   7.529   2.057
  214    H    THR  31           HN       THR  31  -3.122   5.119  -1.453
  215    HA   THR  31           HA       THR  31  -5.318   5.579  -3.256
  216    HB   THR  31           HB       THR  31  -3.777   7.471  -3.778
  217    HG1  THR  31           HG1      THR  31  -4.625   7.226  -5.684
  218   HG21  THR  31          HG21      THR  31  -1.661   7.028  -4.911
  219   HG22  THR  31          HG22      THR  31  -1.884   5.293  -4.685
  220   HG23  THR  31          HG23      THR  31  -1.650   6.342  -3.286
  221    H    TRP  32           HN       TRP  32  -4.931   4.250  -5.342
  222    HA   TRP  32           HA       TRP  32  -3.722   1.698  -4.592
  223    HB2  TRP  32           HB2      TRP  32  -5.248   2.394  -7.120
  224    HB3  TRP  32           HB1      TRP  32  -4.848   0.782  -6.539
  225    HD1  TRP  32           HD1      TRP  32  -7.072   3.789  -5.557
  226    HE1  TRP  32           HE1      TRP  32  -9.130   2.905  -4.286
  227    HE3  TRP  32           HE3      TRP  32  -5.800  -1.163  -5.317
  228    HZ2  TRP  32           HZ2      TRP  32 -10.085   0.434  -3.324
  229    HZ3  TRP  32           HZ3      TRP  32  -7.357  -2.721  -4.203
  230    HH2  TRP  32           HH2      TRP  32  -9.446  -1.936  -3.230
  231    H    SER  33           HN       SER  33  -1.548   1.991  -4.773
  232    HA   SER  33           HA       SER  33  -0.527   2.611  -7.445
  233    HB2  SER  33           HB2      SER  33  -0.338   4.639  -6.032
  234    HB3  SER  33           HB1      SER  33   0.631   3.722  -4.881
  235    HG   SER  33           HG       SER  33   2.301   3.839  -6.177
  236    H    LYS  34           HN       LYS  34   1.487   1.675  -7.958
  237    HA   LYS  34           HA       LYS  34   2.055  -0.803  -6.731
  238    HB2  LYS  34           HB2      LYS  34   2.995  -0.997  -8.756
  239    HB3  LYS  34           HB1      LYS  34   3.106   0.747  -8.964
  240    HG2  LYS  34           HG2      LYS  34   5.195   0.822  -7.800
  241    HG3  LYS  34           HG1      LYS  34   5.041  -0.862  -7.312
  242    HD2  LYS  34           HD2      LYS  34   5.388  -1.633  -9.509
  243    HD3  LYS  34           HD1      LYS  34   5.198  -0.013 -10.192
  244    HE2  LYS  34           HE2      LYS  34   7.546  -0.606 -10.144
  245    HE3  LYS  34           HE1      LYS  34   7.238   0.696  -8.997
  246    HZ1  LYS  34           HZ1      LYS  34   7.632  -2.184  -8.372
  247    HZ2  LYS  34           HZ2      LYS  34   7.143  -1.028  -7.231
  248    HZ3  LYS  34           HZ3      LYS  34   8.659  -0.898  -7.968
  249    HA   PRO  35           HA       PRO  35   4.438   0.571  -3.214
  250    HB2  PRO  35           HB2      PRO  35   5.573  -1.913  -2.796
  251    HB3  PRO  35           HB1      PRO  35   4.008  -1.393  -2.165
  252    HG2  PRO  35           HG2      PRO  35   4.624  -3.055  -4.570
  253    HG3  PRO  35           HG1      PRO  35   3.310  -3.218  -3.381
  254    HD2  PRO  35           HD2      PRO  35   2.904  -2.163  -5.814
  255    HD3  PRO  35           HD1      PRO  35   2.042  -1.571  -4.378
  256    H    THR  36           HN       THR  36   6.662   0.777  -2.648
  257    HA   THR  36           HA       THR  36   8.591   1.786  -3.294
  258    HB   THR  36           HB       THR  36   9.431  -0.382  -2.688
  259    HG1  THR  36           HG1      THR  36  10.690   0.405  -5.118
  260   HG21  THR  36          HG21      THR  36   9.835  -2.168  -4.323
  261   HG22  THR  36          HG22      THR  36   8.982  -1.232  -5.551
  262   HG23  THR  36          HG23      THR  36   8.115  -1.834  -4.137
  263    H    MET  37           HN       MET  37   7.584   3.222  -4.654
  264    HA   MET  37           HA       MET  37   6.811   2.791  -7.293
  265    HB2  MET  37           HB2      MET  37   6.004   4.630  -5.880
  266    HB3  MET  37           HB1      MET  37   7.593   5.375  -5.938
  267    HG2  MET  37           HG2      MET  37   7.355   5.657  -8.368
  268    HG3  MET  37           HG1      MET  37   5.740   4.954  -8.274
  269    HE1  MET  37           HE1      MET  37   6.315   7.782  -9.613
  270    HE2  MET  37           HE2      MET  37   4.978   8.733  -8.961
  271    HE3  MET  37           HE3      MET  37   4.704   7.071  -9.488
  272    H    GLN  38           HN       GLN  38   9.631   4.690  -6.201
  273    HA   GLN  38           HA       GLN  38  10.771   4.296  -8.880
  274    HB2  GLN  38           HB2      GLN  38  11.336   6.475  -6.859
  275    HB3  GLN  38           HB1      GLN  38  12.059   6.345  -8.457
  276    HG2  GLN  38           HG2      GLN  38   9.913   6.662  -9.502
  277    HG3  GLN  38           HG1      GLN  38   9.118   6.671  -7.930
  278    H    ASP  39           HN       ASP  39  13.259   4.518  -8.816
  279    HA   ASP  39           HA       ASP  39  14.244   2.588  -6.859
  280    HB2  ASP  39           HB2      ASP  39  16.163   2.310  -8.317
  281    HB3  ASP  39           HB1      ASP  39  14.697   2.192  -9.283
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   7.976  -9.699  -0.539
    2    H2   GLY   1           HT2      GLY   1   9.257  -9.826   0.565
    3    H3   GLY   1           HT3      GLY   1   7.697  -9.466   1.114
    4    HA2  GLY   1           HA1      GLY   1   6.918 -11.647   0.346
    5    HA3  GLY   1           HA2      GLY   1   8.571 -12.015  -0.124
    6    H    SER   2           HN       SER   2  10.173 -11.452   1.807
    7    HA   SER   2           HA       SER   2   9.335 -13.111   4.032
    8    HB2  SER   2           HB2      SER   2  11.923 -11.581   3.688
    9    HB3  SER   2           HB1      SER   2  11.634 -12.978   4.728
   10    HG   SER   2           HG       SER   2  12.484 -12.980   2.235
   11    H    SER   3           HN       SER   3   7.995 -10.560   3.645
   12    HA   SER   3           HA       SER   3   8.968  -8.986   5.923
   13    HB2  SER   3           HB2      SER   3   7.791  -7.064   4.713
   14    HB3  SER   3           HB1      SER   3   9.260  -7.683   3.953
   15    HG   SER   3           HG       SER   3   6.564  -8.059   3.206
   16    H    SER   4           HN       SER   4   7.653  -8.868   7.617
   17    HA   SER   4           HA       SER   4   4.926  -9.799   7.500
   18    HB2  SER   4           HB2      SER   4   6.350 -10.081   9.534
   19    HB3  SER   4           HB1      SER   4   6.358  -8.330   9.738
   20    HG   SER   4           HG       SER   4   3.990  -8.525   9.820
   21    H    GLY   5           HN       GLY   5   6.642  -6.796   7.381
   22    HA2  GLY   5           HA2      GLY   5   4.144  -5.280   7.323
   23    HA3  GLY   5           HA1      GLY   5   5.768  -4.601   7.359
   24    H    LEU   6           HN       LEU   6   4.869  -3.255   5.608
   25    HA   LEU   6           HA       LEU   6   4.729  -4.699   3.046
   26    HB2  LEU   6           HB2      LEU   6   3.559  -2.059   3.936
   27    HB3  LEU   6           HB1      LEU   6   3.624  -2.536   2.249
   28    HG   LEU   6           HG       LEU   6   1.441  -3.019   2.983
   29   HD11  LEU   6          HD11      LEU   6   1.282  -5.453   2.814
   30   HD12  LEU   6          HD12      LEU   6   3.024  -5.582   3.064
   31   HD13  LEU   6          HD13      LEU   6   2.395  -4.774   1.628
   32   HD21  LEU   6          HD21      LEU   6   1.803  -2.860   5.378
   33   HD22  LEU   6          HD22      LEU   6   2.640  -4.412   5.377
   34   HD23  LEU   6          HD23      LEU   6   0.923  -4.335   4.981
   35    HA   PRO   7           HA       PRO   7   8.281  -2.743   1.146
   36    HB2  PRO   7           HB2      PRO   7   7.067  -0.862  -0.577
   37    HB3  PRO   7           HB1      PRO   7   7.584  -2.499  -0.989
   38    HG2  PRO   7           HG2      PRO   7   4.887  -1.493  -0.249
   39    HG3  PRO   7           HG1      PRO   7   5.341  -2.774  -1.387
   40    HD2  PRO   7           HD2      PRO   7   4.318  -3.379   0.991
   41    HD3  PRO   7           HD1      PRO   7   5.648  -4.343   0.315
   42    HA   PRO   8           HA       PRO   8   9.840   0.598   3.403
   43    HB2  PRO   8           HB2      PRO   8  10.008   2.057   0.786
   44    HB3  PRO   8           HB1      PRO   8  11.197   1.964   2.096
   45    HG2  PRO   8           HG2      PRO   8  11.370   0.408  -0.096
   46    HG3  PRO   8           HG1      PRO   8  11.885  -0.153   1.501
   47    HD2  PRO   8           HD2      PRO   8   9.603  -1.015  -0.119
   48    HD3  PRO   8           HD1      PRO   8  10.328  -1.792   1.298
   49    H    GLY   9           HN       GLY   9   7.817   1.066   4.441
   50    HA2  GLY   9           HA2      GLY   9   6.629   2.769   5.414
   51    HA3  GLY   9           HA1      GLY   9   7.212   3.865   4.171
   52    H    TRP  10           HN       TRP  10   5.764   1.073   2.893
   53    HA   TRP  10           HA       TRP  10   3.377   2.603   2.233
   54    HB2  TRP  10           HB2      TRP  10   4.465  -0.029   1.225
   55    HB3  TRP  10           HB1      TRP  10   2.888   0.600   0.749
   56    HD1  TRP  10           HD1      TRP  10   6.638   1.511   0.482
   57    HE1  TRP  10           HE1      TRP  10   6.947   3.030  -1.569
   58    HE3  TRP  10           HE3      TRP  10   1.748   2.074  -0.850
   59    HZ2  TRP  10           HZ2      TRP  10   5.316   4.282  -3.521
   60    HZ3  TRP  10           HZ3      TRP  10   1.196   3.434  -2.824
   61    HH2  TRP  10           HH2      TRP  10   2.949   4.520  -4.130
   62    H    GLU  11           HN       GLU  11   1.288   1.961   2.760
   63    HA   GLU  11           HA       GLU  11   1.151   0.054   5.009
   64    HB2  GLU  11           HB2      GLU  11   0.858   2.624   5.363
   65    HB3  GLU  11           HB1      GLU  11  -0.719   2.369   4.634
   66    HG2  GLU  11           HG2      GLU  11  -0.961   2.344   6.994
   67    HG3  GLU  11           HG1      GLU  11  -1.216   0.708   6.389
   68    H    GLU  12           HN       GLU  12   0.095  -1.722   4.373
   69    HA   GLU  12           HA       GLU  12  -2.011  -1.525   2.350
   70    HB2  GLU  12           HB2      GLU  12  -0.242  -3.247   2.022
   71    HB3  GLU  12           HB1      GLU  12  -0.748  -4.010   3.523
   72    HG2  GLU  12           HG2      GLU  12  -3.064  -4.160   2.442
   73    HG3  GLU  12           HG1      GLU  12  -2.231  -3.816   0.928
   74    H    LYS  13           HN       LYS  13  -3.988  -1.262   3.075
   75    HA   LYS  13           HA       LYS  13  -4.843  -2.859   5.390
   76    HB2  LYS  13           HB2      LYS  13  -5.842  -0.061   4.794
   77    HB3  LYS  13           HB1      LYS  13  -6.299  -1.077   6.154
   78    HG2  LYS  13           HG2      LYS  13  -3.590   0.130   5.654
   79    HG3  LYS  13           HG1      LYS  13  -4.763   0.632   6.870
   80    HD2  LYS  13           HD2      LYS  13  -4.439  -1.309   8.147
   81    HD3  LYS  13           HD1      LYS  13  -3.666  -2.167   6.807
   82    HE2  LYS  13           HE2      LYS  13  -1.816  -0.492   6.919
   83    HE3  LYS  13           HE1      LYS  13  -2.568   0.153   8.376
   84    HZ1  LYS  13           HZ1      LYS  13  -0.746  -1.423   8.808
   85    HZ2  LYS  13           HZ2      LYS  13  -1.662  -2.661   8.095
   86    HZ3  LYS  13           HZ3      LYS  13  -2.217  -1.900   9.503
   87    H    GLN  14           HN       GLN  14  -6.863  -3.816   5.149
   88    HA   GLN  14           HA       GLN  14  -7.909  -3.622   2.425
   89    HB2  GLN  14           HB2      GLN  14  -8.818  -5.839   2.682
   90    HB3  GLN  14           HB1      GLN  14  -7.118  -5.860   3.119
   91    HG2  GLN  14           HG2      GLN  14  -9.457  -5.865   5.018
   92    HG3  GLN  14           HG1      GLN  14  -8.445  -7.243   4.607
   93   HE21  GLN  14          HE21      GLN  14  -8.656  -4.270   6.394
   94   HE22  GLN  14          HE22      GLN  14  -7.252  -4.526   7.379
   95    H    ASP  15           HN       ASP  15  -9.822  -2.891   2.014
   96    HA   ASP  15           HA       ASP  15 -11.358  -1.550   3.970
   97    HB2  ASP  15           HB2      ASP  15 -11.179  -0.996   1.510
   98    HB3  ASP  15           HB1      ASP  15 -12.206  -2.385   1.184
   99    H    ASP  16           HN       ASP  16 -13.653  -1.987   4.459
  100    HA   ASP  16           HA       ASP  16 -14.094  -4.629   5.363
  101    HB2  ASP  16           HB2      ASP  16 -15.136  -2.656   6.409
  102    HB3  ASP  16           HB1      ASP  16 -16.102  -2.397   4.960
  103    H    ARG  17           HN       ARG  17 -14.785  -2.969   2.420
  104    HA   ARG  17           HA       ARG  17 -16.623  -4.884   1.340
  105    HB2  ARG  17           HB2      ARG  17 -14.882  -2.874  -0.103
  106    HB3  ARG  17           HB1      ARG  17 -16.300  -3.687  -0.754
  107    HG2  ARG  17           HG2      ARG  17 -17.772  -2.453   0.553
  108    HG3  ARG  17           HG1      ARG  17 -16.515  -1.998   1.706
  109    HD2  ARG  17           HD2      ARG  17 -16.855  -0.048   0.509
  110    HD3  ARG  17           HD1      ARG  17 -15.457  -0.758  -0.287
  111    HE   ARG  17           HE       ARG  17 -17.972  -1.450  -1.505
  112   HH11  ARG  17          HH11      ARG  17 -15.288   0.797  -1.431
  113   HH12  ARG  17          HH12      ARG  17 -15.686   1.514  -2.966
  114   HH21  ARG  17          HH21      ARG  17 -18.526  -0.479  -3.502
  115   HH22  ARG  17          HH22      ARG  17 -17.529   0.803  -4.133
  116    H    GLY  18           HN       GLY  18 -13.446  -5.154   2.129
  117    HA2  GLY  18           HA2      GLY  18 -12.172  -7.092   1.875
  118    HA3  GLY  18           HA1      GLY  18 -13.180  -7.562   0.525
  119    H    ARG  19           HN       ARG  19 -12.251  -4.391   0.101
  120    HA   ARG  19           HA       ARG  19 -10.324  -5.140  -1.917
  121    HB2  ARG  19           HB2      ARG  19 -11.620  -2.560  -1.078
  122    HB3  ARG  19           HB1      ARG  19 -10.254  -2.573  -2.174
  123    HG2  ARG  19           HG2      ARG  19 -12.578  -2.479  -3.153
  124    HG3  ARG  19           HG1      ARG  19 -11.438  -3.601  -3.872
  125    HD2  ARG  19           HD2      ARG  19 -12.459  -5.422  -2.653
  126    HD3  ARG  19           HD1      ARG  19 -13.554  -4.311  -1.839
  127    HE   ARG  19           HE       ARG  19 -14.054  -3.864  -4.473
  128   HH11  ARG  19          HH11      ARG  19 -14.024  -6.767  -2.499
  129   HH12  ARG  19          HH12      ARG  19 -15.237  -7.570  -3.442
  130   HH21  ARG  19          HH21      ARG  19 -15.671  -4.897  -5.689
  131   HH22  ARG  19          HH22      ARG  19 -16.172  -6.513  -5.275
  132    H    SER  20           HN       SER  20  -8.314  -5.633  -1.189
  133    HA   SER  20           HA       SER  20  -7.167  -4.272   1.081
  134    HB2  SER  20           HB2      SER  20  -5.940  -6.236  -0.873
  135    HB3  SER  20           HB1      SER  20  -5.181  -5.677   0.614
  136    HG   SER  20           HG       SER  20  -6.294  -7.103   1.661
  137    H    TYR  21           HN       TYR  21  -6.424  -2.258   0.867
  138    HA   TYR  21           HA       TYR  21  -5.298  -1.473  -1.732
  139    HB2  TYR  21           HB2      TYR  21  -5.996   0.841  -1.162
  140    HB3  TYR  21           HB1      TYR  21  -7.328  -0.272  -1.376
  141    HD1  TYR  21           HD2      TYR  21  -5.393   1.657   1.106
  142    HD2  TYR  21           HD1      TYR  21  -8.835  -0.761   0.439
  143    HE1  TYR  21           HE2      TYR  21  -6.275   2.305   3.313
  144    HE2  TYR  21           HE1      TYR  21  -9.714  -0.125   2.644
  145    HH   TYR  21           HH       TYR  21  -8.821   0.697   4.826
  146    H    TYR  22           HN       TYR  22  -4.253   0.908  -1.153
  147    HA   TYR  22           HA       TYR  22  -2.208   0.441   0.904
  148    HB2  TYR  22           HB2      TYR  22  -1.486   1.383  -1.869
  149    HB3  TYR  22           HB1      TYR  22  -0.392   0.933  -0.571
  150    HD1  TYR  22           HD2      TYR  22  -0.594  -1.550   0.226
  151    HD2  TYR  22           HD1      TYR  22  -1.889  -0.137  -3.568
  152    HE1  TYR  22           HE2      TYR  22  -0.458  -3.838  -0.651
  153    HE2  TYR  22           HE1      TYR  22  -1.763  -2.422  -4.468
  154    HH   TYR  22           HH       TYR  22  -0.640  -4.517  -4.017
  155    H    VAL  23           HN       VAL  23  -1.756   2.254   2.023
  156    HA   VAL  23           HA       VAL  23  -1.928   4.803   0.573
  157    HB   VAL  23           HB       VAL  23  -2.590   4.528   3.497
  158   HG11  VAL  23          HG11      VAL  23  -1.636   6.673   2.950
  159   HG12  VAL  23          HG12      VAL  23  -3.357   6.848   3.293
  160   HG13  VAL  23          HG13      VAL  23  -2.783   6.863   1.623
  161   HG21  VAL  23          HG21      VAL  23  -4.468   4.939   1.196
  162   HG22  VAL  23          HG22      VAL  23  -4.903   5.019   2.904
  163   HG23  VAL  23          HG23      VAL  23  -4.352   3.496   2.209
  164    H    ASP  24           HN       ASP  24  -0.057   5.878   0.621
  165    HA   ASP  24           HA       ASP  24   2.156   4.385   1.799
  166    HB2  ASP  24           HB2      ASP  24   2.268   4.684  -0.565
  167    HB3  ASP  24           HB1      ASP  24   1.959   6.412  -0.418
  168    H    HIS  25           HN       HIS  25   3.460   5.121   3.325
  169    HA   HIS  25           HA       HIS  25   3.079   7.786   4.424
  170    HB2  HIS  25           HB2      HIS  25   5.050   5.633   5.232
  171    HB3  HIS  25           HB1      HIS  25   4.705   7.107   6.120
  172    HD1  HIS  25           HD1      HIS  25   2.567   7.185   7.517
  173    HD2  HIS  25           HD2      HIS  25   3.100   3.608   5.470
  174    HE1  HIS  25           HE1      HIS  25   0.938   5.570   8.538
  175    HE2  HIS  25           HE2      HIS  25   1.469   3.349   7.466
  176    H    ASN  26           HN       ASN  26   5.239   6.087   2.318
  177    HA   ASN  26           HA       ASN  26   7.602   7.538   2.655
  178    HB2  ASN  26           HB2      ASN  26   8.002   5.654   1.416
  179    HB3  ASN  26           HB1      ASN  26   6.455   5.746   0.577
  180   HD21  ASN  26          HD21      ASN  26   6.373   6.584  -1.399
  181   HD22  ASN  26          HD22      ASN  26   7.728   7.249  -2.254
  182    H    SER  27           HN       SER  27   5.100   8.005   0.137
  183    HA   SER  27           HA       SER  27   6.012  10.802  -0.075
  184    HB2  SER  27           HB2      SER  27   4.787   9.045  -2.203
  185    HB3  SER  27           HB1      SER  27   5.151  10.762  -2.403
  186    HG   SER  27           HG       SER  27   7.122   8.893  -1.613
  187    H    LYS  28           HN       LYS  28   3.920   9.396   1.631
  188    HA   LYS  28           HA       LYS  28   1.788   9.689   2.368
  189    HB2  LYS  28           HB2      LYS  28   2.193  12.388   1.057
  190    HB3  LYS  28           HB1      LYS  28   0.839  11.992   2.107
  191    HG2  LYS  28           HG2      LYS  28   2.356  11.600   3.958
  192    HG3  LYS  28           HG1      LYS  28   3.739  11.914   2.910
  193    HD2  LYS  28           HD2      LYS  28   1.569  13.942   3.399
  194    HD3  LYS  28           HD1      LYS  28   3.006  13.818   4.412
  195    HE2  LYS  28           HE2      LYS  28   3.056  14.247   1.425
  196    HE3  LYS  28           HE1      LYS  28   3.170  15.542   2.618
  197    HZ1  LYS  28           HZ1      LYS  28   5.361  15.051   2.045
  198    HZ2  LYS  28           HZ2      LYS  28   5.114  13.375   2.078
  199    HZ3  LYS  28           HZ3      LYS  28   5.142  14.252   3.526
  200    H    THR  29           HN       THR  29   2.182   8.370  -0.048
  201    HA   THR  29           HA       THR  29   0.587   9.364  -2.163
  202    HB   THR  29           HB       THR  29   1.623   6.559  -1.766
  203    HG1  THR  29           HG1      THR  29   3.519   7.467  -1.924
  204   HG21  THR  29          HG21      THR  29   1.631   6.485  -4.212
  205   HG22  THR  29          HG22      THR  29   0.948   8.107  -4.263
  206   HG23  THR  29          HG23      THR  29   0.001   6.778  -3.584
  207    H    THR  30           HN       THR  30  -1.275   8.554  -3.011
  208    HA   THR  30           HA       THR  30  -3.158   7.397  -1.178
  209    HB   THR  30           HB       THR  30  -4.544   7.615  -3.481
  210    HG1  THR  30           HG1      THR  30  -3.822   9.435  -4.588
  211   HG21  THR  30          HG21      THR  30  -5.376   9.723  -2.586
  212   HG22  THR  30          HG22      THR  30  -3.953   9.868  -1.555
  213   HG23  THR  30          HG23      THR  30  -5.111   8.566  -1.277
  214    H    THR  31           HN       THR  31  -4.733   5.836  -2.242
  215    HA   THR  31           HA       THR  31  -3.478   3.377  -2.362
  216    HB   THR  31           HB       THR  31  -5.717   3.881  -1.482
  217    HG1  THR  31           HG1      THR  31  -4.867   1.727  -2.682
  218   HG21  THR  31          HG21      THR  31  -6.475   3.931  -4.401
  219   HG22  THR  31          HG22      THR  31  -6.592   5.271  -3.259
  220   HG23  THR  31          HG23      THR  31  -7.627   3.855  -3.065
  221    H    TRP  32           HN       TRP  32  -5.258   2.057  -4.487
  222    HA   TRP  32           HA       TRP  32  -2.921   0.971  -5.038
  223    HB2  TRP  32           HB2      TRP  32  -5.223   0.961  -6.963
  224    HB3  TRP  32           HB1      TRP  32  -3.875  -0.167  -6.999
  225    HD1  TRP  32           HD1      TRP  32  -3.891  -2.139  -5.179
  226    HE1  TRP  32           HE1      TRP  32  -5.767  -3.054  -3.655
  227    HE3  TRP  32           HE3      TRP  32  -7.150   1.727  -5.573
  228    HZ2  TRP  32           HZ2      TRP  32  -8.329  -2.214  -2.761
  229    HZ3  TRP  32           HZ3      TRP  32  -9.299   1.625  -4.365
  230    HH2  TRP  32           HH2      TRP  32  -9.869  -0.309  -2.982
  231    H    SER  33           HN       SER  33  -1.360   2.418  -5.426
  232    HA   SER  33           HA       SER  33  -0.803   2.451  -8.286
  233    HB2  SER  33           HB2      SER  33  -1.092   4.810  -7.545
  234    HB3  SER  33           HB1      SER  33   0.087   4.554  -6.263
  235    HG   SER  33           HG       SER  33   1.099   5.543  -8.004
  236    H    LYS  34           HN       LYS  34   1.294   1.523  -8.699
  237    HA   LYS  34           HA       LYS  34   1.834  -0.463  -6.797
  238    HB2  LYS  34           HB2      LYS  34   3.410  -1.369  -8.237
  239    HB3  LYS  34           HB1      LYS  34   2.309  -0.538  -9.319
  240    HG2  LYS  34           HG2      LYS  34   3.846   1.221  -9.682
  241    HG3  LYS  34           HG1      LYS  34   4.882   0.671  -8.357
  242    HD2  LYS  34           HD2      LYS  34   5.397  -1.360  -9.565
  243    HD3  LYS  34           HD1      LYS  34   4.297  -0.895 -10.864
  244    HE2  LYS  34           HE2      LYS  34   5.685   1.005 -11.407
  245    HE3  LYS  34           HE1      LYS  34   6.741   0.655 -10.038
  246    HZ1  LYS  34           HZ1      LYS  34   6.294  -1.308 -12.214
  247    HZ2  LYS  34           HZ2      LYS  34   7.539  -1.278 -11.062
  248    HZ3  LYS  34           HZ3      LYS  34   7.507  -0.126 -12.312
  249    HA   PRO  35           HA       PRO  35   4.277   1.472  -3.774
  250    HB2  PRO  35           HB2      PRO  35   5.668  -0.741  -2.924
  251    HB3  PRO  35           HB1      PRO  35   4.016  -0.349  -2.433
  252    HG2  PRO  35           HG2      PRO  35   4.980  -2.241  -4.541
  253    HG3  PRO  35           HG1      PRO  35   3.664  -2.442  -3.369
  254    HD2  PRO  35           HD2      PRO  35   3.181  -1.813  -5.930
  255    HD3  PRO  35           HD1      PRO  35   2.197  -1.138  -4.613
  256    H    THR  36           HN       THR  36   6.413   2.025  -3.181
  257    HA   THR  36           HA       THR  36   8.271   2.011  -5.410
  258    HB   THR  36           HB       THR  36   8.623   3.301  -2.694
  259    HG1  THR  36           HG1      THR  36   6.992   3.944  -4.813
  260   HG21  THR  36          HG21      THR  36  10.662   3.078  -4.088
  261   HG22  THR  36          HG22      THR  36  10.187   4.760  -3.851
  262   HG23  THR  36          HG23      THR  36   9.842   3.954  -5.381
  263    H    MET  37           HN       MET  37  10.059   0.812  -5.524
  264    HA   MET  37           HA       MET  37  10.772  -0.884  -3.229
  265    HB2  MET  37           HB2      MET  37  11.838  -2.369  -4.848
  266    HB3  MET  37           HB1      MET  37  10.162  -2.087  -5.292
  267    HG2  MET  37           HG2      MET  37  10.913  -0.412  -6.942
  268    HG3  MET  37           HG1      MET  37  12.585  -0.801  -6.542
  269    HE1  MET  37           HE1      MET  37  13.657  -3.226  -6.937
  270    HE2  MET  37           HE2      MET  37  12.776  -4.574  -7.660
  271    HE3  MET  37           HE3      MET  37  12.321  -3.975  -6.065
  272    H    GLN  38           HN       GLN  38  13.145  -1.317  -2.997
  273    HA   GLN  38           HA       GLN  38  14.599   1.169  -3.189
  274    HB2  GLN  38           HB2      GLN  38  14.718  -0.413  -1.208
  275    HB3  GLN  38           HB1      GLN  38  15.642  -1.502  -2.232
  276    HG2  GLN  38           HG2      GLN  38  17.377   0.155  -2.498
  277    HG3  GLN  38           HG1      GLN  38  16.438   1.322  -1.570
  278    H    ASP  39           HN       ASP  39  15.107   1.609  -5.264
  279    HA   ASP  39           HA       ASP  39  16.618  -0.418  -6.776
  280    HB2  ASP  39           HB2      ASP  39  14.408  -0.329  -7.737
  281    HB3  ASP  39           HB1      ASP  39  14.442   1.427  -7.777
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   6.650 -18.057  10.797
    2    H2   GLY   1           HT2      GLY   1   7.606 -17.879   9.409
    3    H3   GLY   1           HT3      GLY   1   5.918 -17.905   9.271
    4    HA2  GLY   1           HA1      GLY   1   7.497 -15.814  10.672
    5    HA3  GLY   1           HA2      GLY   1   6.828 -15.660   9.054
    6    H    SER   2           HN       SER   2   6.342 -14.648  12.069
    7    HA   SER   2           HA       SER   2   3.438 -14.953  12.096
    8    HB2  SER   2           HB2      SER   2   3.683 -13.731  14.313
    9    HB3  SER   2           HB1      SER   2   4.471 -15.308  14.222
   10    HG   SER   2           HG       SER   2   5.651 -13.257  15.039
   11    H    SER   3           HN       SER   3   5.654 -12.898  10.750
   12    HA   SER   3           HA       SER   3   3.723 -10.695  10.701
   13    HB2  SER   3           HB2      SER   3   6.724 -10.359  10.992
   14    HB3  SER   3           HB1      SER   3   5.532  -9.059  10.925
   15    HG   SER   3           HG       SER   3   5.093 -10.988  12.862
   16    H    SER   4           HN       SER   4   3.560  -9.611   8.768
   17    HA   SER   4           HA       SER   4   5.505 -10.065   6.662
   18    HB2  SER   4           HB2      SER   4   3.792 -11.929   6.479
   19    HB3  SER   4           HB1      SER   4   2.584 -10.690   6.151
   20    HG   SER   4           HG       SER   4   3.661 -11.747   4.284
   21    H    GLY   5           HN       GLY   5   5.977  -7.985   6.313
   22    HA2  GLY   5           HA2      GLY   5   3.856  -5.977   6.487
   23    HA3  GLY   5           HA1      GLY   5   5.583  -5.661   6.508
   24    H    LEU   6           HN       LEU   6   4.705  -3.983   4.967
   25    HA   LEU   6           HA       LEU   6   4.613  -5.089   2.244
   26    HB2  LEU   6           HB2      LEU   6   3.404  -2.561   3.393
   27    HB3  LEU   6           HB1      LEU   6   3.555  -2.830   1.664
   28    HG   LEU   6           HG       LEU   6   1.356  -3.383   2.141
   29   HD11  LEU   6          HD11      LEU   6   1.155  -5.773   1.822
   30   HD12  LEU   6          HD12      LEU   6   2.843  -5.992   2.283
   31   HD13  LEU   6          HD13      LEU   6   2.440  -5.099   0.817
   32   HD21  LEU   6          HD21      LEU   6   2.328  -4.863   4.582
   33   HD22  LEU   6          HD22      LEU   6   0.651  -4.773   4.035
   34   HD23  LEU   6          HD23      LEU   6   1.489  -3.308   4.552
   35    HA   PRO   7           HA       PRO   7   8.189  -2.728   0.687
   36    HB2  PRO   7           HB2      PRO   7   6.368  -0.663  -0.388
   37    HB3  PRO   7           HB1      PRO   7   7.582  -1.625  -1.220
   38    HG2  PRO   7           HG2      PRO   7   4.792  -2.042  -1.206
   39    HG3  PRO   7           HG1      PRO   7   6.034  -3.102  -1.889
   40    HD2  PRO   7           HD2      PRO   7   4.374  -3.641   0.316
   41    HD3  PRO   7           HD1      PRO   7   5.795  -4.573  -0.195
   42    HA   PRO   8           HA       PRO   8   9.505   0.343   3.532
   43    HB2  PRO   8           HB2      PRO   8   9.680   2.183   1.180
   44    HB3  PRO   8           HB1      PRO   8  10.843   1.929   2.487
   45    HG2  PRO   8           HG2      PRO   8  11.201   0.776   0.110
   46    HG3  PRO   8           HG1      PRO   8  11.582  -0.089   1.606
   47    HD2  PRO   8           HD2      PRO   8   9.346  -0.493  -0.285
   48    HD3  PRO   8           HD1      PRO   8  10.106  -1.645   0.831
   49    H    GLY   9           HN       GLY   9   7.616   0.718   4.687
   50    HA2  GLY   9           HA2      GLY   9   6.089   2.090   5.682
   51    HA3  GLY   9           HA1      GLY   9   6.730   3.399   4.700
   52    H    TRP  10           HN       TRP  10   5.408   0.522   3.259
   53    HA   TRP  10           HA       TRP  10   3.320   2.132   2.016
   54    HB2  TRP  10           HB2      TRP  10   4.877   0.999   0.616
   55    HB3  TRP  10           HB1      TRP  10   4.690  -0.497   1.492
   56    HD1  TRP  10           HD1      TRP  10   3.087  -2.163   0.548
   57    HE1  TRP  10           HE1      TRP  10   1.530  -2.225  -1.522
   58    HE3  TRP  10           HE3      TRP  10   3.172   2.746  -0.652
   59    HZ2  TRP  10           HZ2      TRP  10   0.491  -0.361  -3.396
   60    HZ3  TRP  10           HZ3      TRP  10   1.898   3.556  -2.577
   61    HH2  TRP  10           HH2      TRP  10   0.575   2.021  -3.922
   62    H    GLU  11           HN       GLU  11   1.329   2.018   2.918
   63    HA   GLU  11           HA       GLU  11   0.943  -0.045   4.963
   64    HB2  GLU  11           HB2      GLU  11   0.839   2.554   5.287
   65    HB3  GLU  11           HB1      GLU  11  -0.784   2.369   4.654
   66    HG2  GLU  11           HG2      GLU  11  -0.956   2.340   6.992
   67    HG3  GLU  11           HG1      GLU  11  -1.204   0.690   6.442
   68    H    GLU  12           HN       GLU  12  -0.226  -1.754   4.310
   69    HA   GLU  12           HA       GLU  12  -2.332  -1.407   2.302
   70    HB2  GLU  12           HB2      GLU  12  -0.784  -3.157   1.756
   71    HB3  GLU  12           HB1      GLU  12  -0.940  -3.868   3.357
   72    HG2  GLU  12           HG2      GLU  12  -3.346  -4.319   2.832
   73    HG3  GLU  12           HG1      GLU  12  -3.020  -3.795   1.183
   74    H    LYS  13           HN       LYS  13  -4.316  -1.040   3.066
   75    HA   LYS  13           HA       LYS  13  -5.257  -2.634   5.364
   76    HB2  LYS  13           HB2      LYS  13  -6.101   0.225   4.817
   77    HB3  LYS  13           HB1      LYS  13  -6.510  -0.759   6.218
   78    HG2  LYS  13           HG2      LYS  13  -3.774   0.279   5.499
   79    HG3  LYS  13           HG1      LYS  13  -4.814   0.866   6.796
   80    HD2  LYS  13           HD2      LYS  13  -4.516  -1.073   8.076
   81    HD3  LYS  13           HD1      LYS  13  -3.964  -2.008   6.683
   82    HE2  LYS  13           HE2      LYS  13  -1.910  -0.674   6.597
   83    HE3  LYS  13           HE1      LYS  13  -2.461   0.253   7.992
   84    HZ1  LYS  13           HZ1      LYS  13  -0.895  -1.427   8.667
   85    HZ2  LYS  13           HZ2      LYS  13  -1.836  -2.652   7.972
   86    HZ3  LYS  13           HZ3      LYS  13  -2.421  -1.796   9.311
   87    H    GLN  14           HN       GLN  14  -7.496  -3.229   5.260
   88    HA   GLN  14           HA       GLN  14  -8.383  -3.359   2.473
   89    HB2  GLN  14           HB2      GLN  14  -9.593  -5.345   3.048
   90    HB3  GLN  14           HB1      GLN  14  -7.969  -5.483   3.696
   91    HG2  GLN  14           HG2      GLN  14 -10.376  -4.681   5.314
   92    HG3  GLN  14           HG1      GLN  14  -9.756  -6.323   5.191
   93   HE21  GLN  14          HE21      GLN  14  -6.960  -5.406   5.191
   94   HE22  GLN  14          HE22      GLN  14  -6.610  -4.973   6.831
   95    H    ASP  15           HN       ASP  15 -10.711  -3.332   2.017
   96    HA   ASP  15           HA       ASP  15 -12.051  -1.275   3.630
   97    HB2  ASP  15           HB2      ASP  15 -13.098  -0.519   1.698
   98    HB3  ASP  15           HB1      ASP  15 -11.556  -1.077   1.060
   99    H    ASP  16           HN       ASP  16 -14.639  -1.583   2.853
  100    HA   ASP  16           HA       ASP  16 -15.624  -3.530   4.616
  101    HB2  ASP  16           HB2      ASP  16 -17.187  -2.368   2.310
  102    HB3  ASP  16           HB1      ASP  16 -17.803  -2.916   3.863
  103    H    ARG  17           HN       ARG  17 -14.949  -3.667   1.187
  104    HA   ARG  17           HA       ARG  17 -16.541  -6.095   0.869
  105    HB2  ARG  17           HB2      ARG  17 -15.040  -4.610  -1.283
  106    HB3  ARG  17           HB1      ARG  17 -16.400  -5.710  -1.464
  107    HG2  ARG  17           HG2      ARG  17 -17.874  -4.134  -0.392
  108    HG3  ARG  17           HG1      ARG  17 -16.531  -3.047  -0.073
  109    HD2  ARG  17           HD2      ARG  17 -16.213  -3.072  -2.640
  110    HD3  ARG  17           HD1      ARG  17 -17.864  -3.696  -2.668
  111    HE   ARG  17           HE       ARG  17 -17.224  -1.194  -1.250
  112   HH11  ARG  17          HH11      ARG  17 -19.120  -2.941  -3.635
  113   HH12  ARG  17          HH12      ARG  17 -20.137  -1.581  -3.990
  114   HH21  ARG  17          HH21      ARG  17 -18.564   0.589  -1.730
  115   HH22  ARG  17          HH22      ARG  17 -19.814   0.426  -2.932
  116    H    GLY  18           HN       GLY  18 -13.499  -5.411   1.839
  117    HA2  GLY  18           HA2      GLY  18 -11.942  -7.072   2.387
  118    HA3  GLY  18           HA1      GLY  18 -12.691  -8.134   1.210
  119    H    ARG  19           HN       ARG  19 -11.953  -4.954   0.130
  120    HA   ARG  19           HA       ARG  19  -9.772  -5.998  -1.516
  121    HB2  ARG  19           HB2      ARG  19 -11.180  -3.333  -1.488
  122    HB3  ARG  19           HB1      ARG  19  -9.866  -3.726  -2.578
  123    HG2  ARG  19           HG2      ARG  19 -12.646  -4.835  -2.503
  124    HG3  ARG  19           HG1      ARG  19 -11.829  -3.992  -3.819
  125    HD2  ARG  19           HD2      ARG  19 -10.269  -5.869  -4.040
  126    HD3  ARG  19           HD1      ARG  19 -11.123  -6.703  -2.744
  127    HE   ARG  19           HE       ARG  19 -13.018  -6.102  -4.681
  128   HH11  ARG  19          HH11      ARG  19 -10.138  -8.062  -4.347
  129   HH12  ARG  19          HH12      ARG  19 -10.587  -9.175  -5.606
  130   HH21  ARG  19          HH21      ARG  19 -13.597  -7.552  -6.376
  131   HH22  ARG  19          HH22      ARG  19 -12.547  -8.882  -6.751
  132    H    SER  20           HN       SER  20  -7.721  -5.836  -0.804
  133    HA   SER  20           HA       SER  20  -7.177  -3.922   1.324
  134    HB2  SER  20           HB2      SER  20  -5.042  -5.104   1.590
  135    HB3  SER  20           HB1      SER  20  -6.401  -6.225   1.647
  136    HG   SER  20           HG       SER  20  -4.291  -6.204  -0.014
  137    H    TYR  21           HN       TYR  21  -6.681  -1.965   0.728
  138    HA   TYR  21           HA       TYR  21  -5.028  -1.584  -1.676
  139    HB2  TYR  21           HB2      TYR  21  -5.900   0.748  -1.678
  140    HB3  TYR  21           HB1      TYR  21  -7.136  -0.472  -1.941
  141    HD1  TYR  21           HD1      TYR  21  -8.650  -1.083   0.035
  142    HD2  TYR  21           HD2      TYR  21  -6.087   2.324   0.054
  143    HE1  TYR  21           HE1      TYR  21  -9.976  -0.093   1.852
  144    HE2  TYR  21           HE2      TYR  21  -7.412   3.307   1.878
  145    HH   TYR  21           HH       TYR  21  -9.812   3.103   2.705
  146    H    TYR  22           HN       TYR  22  -3.784   0.692  -1.413
  147    HA   TYR  22           HA       TYR  22  -2.481   0.531   1.197
  148    HB2  TYR  22           HB2      TYR  22  -0.516   0.781  -0.971
  149    HB3  TYR  22           HB1      TYR  22  -0.535  -0.261   0.449
  150    HD1  TYR  22           HD1      TYR  22  -1.841   0.011  -3.029
  151    HD2  TYR  22           HD2      TYR  22  -1.115  -2.538   0.301
  152    HE1  TYR  22           HE1      TYR  22  -2.354  -1.948  -4.424
  153    HE2  TYR  22           HE2      TYR  22  -1.627  -4.502  -1.086
  154    HH   TYR  22           HH       TYR  22  -1.829  -4.391  -4.455
  155    H    VAL  23           HN       VAL  23  -1.653   2.307   1.988
  156    HA   VAL  23           HA       VAL  23  -1.396   4.704   0.299
  157    HB   VAL  23           HB       VAL  23  -2.320   4.725   3.176
  158   HG11  VAL  23          HG11      VAL  23  -2.307   6.890   1.104
  159   HG12  VAL  23          HG12      VAL  23  -1.205   6.749   2.474
  160   HG13  VAL  23          HG13      VAL  23  -2.924   7.035   2.750
  161   HG21  VAL  23          HG21      VAL  23  -4.566   5.332   2.282
  162   HG22  VAL  23          HG22      VAL  23  -4.075   3.666   1.978
  163   HG23  VAL  23          HG23      VAL  23  -3.987   4.863   0.680
  164    H    ASP  24           HN       ASP  24   0.734   5.218   0.288
  165    HA   ASP  24           HA       ASP  24   2.408   3.955   2.314
  166    HB2  ASP  24           HB2      ASP  24   3.657   3.496   0.543
  167    HB3  ASP  24           HB1      ASP  24   2.750   4.594  -0.481
  168    H    HIS  25           HN       HIS  25   3.965   4.989   3.517
  169    HA   HIS  25           HA       HIS  25   3.170   7.647   4.345
  170    HB2  HIS  25           HB2      HIS  25   5.219   5.723   5.452
  171    HB3  HIS  25           HB1      HIS  25   4.801   7.261   6.194
  172    HD1  HIS  25           HD1      HIS  25   2.801   7.282   7.731
  173    HD2  HIS  25           HD2      HIS  25   3.058   3.796   5.479
  174    HE1  HIS  25           HE1      HIS  25   1.071   5.723   8.682
  175    HE2  HIS  25           HE2      HIS  25   1.458   3.534   7.491
  176    H    ASN  26           HN       ASN  26   5.649   6.285   2.357
  177    HA   ASN  26           HA       ASN  26   7.727   8.152   2.929
  178    HB2  ASN  26           HB2      ASN  26   8.159   5.946   1.873
  179    HB3  ASN  26           HB1      ASN  26   7.298   6.485   0.438
  180   HD21  ASN  26          HD21      ASN  26   8.258   7.988  -0.933
  181   HD22  ASN  26          HD22      ASN  26   9.948   8.363  -0.847
  182    H    SER  27           HN       SER  27   5.513   7.840   0.167
  183    HA   SER  27           HA       SER  27   6.145  10.614  -0.550
  184    HB2  SER  27           HB2      SER  27   4.878   8.453  -2.234
  185    HB3  SER  27           HB1      SER  27   5.356  10.059  -2.785
  186    HG   SER  27           HG       SER  27   7.333   9.374  -2.983
  187    H    LYS  28           HN       LYS  28   4.084   9.171   1.344
  188    HA   LYS  28           HA       LYS  28   1.915   9.350   1.993
  189    HB2  LYS  28           HB2      LYS  28   2.223  12.028   0.618
  190    HB3  LYS  28           HB1      LYS  28   0.767  11.565   1.485
  191    HG2  LYS  28           HG2      LYS  28   2.017  12.867   2.986
  192    HG3  LYS  28           HG1      LYS  28   2.247  11.198   3.509
  193    HD2  LYS  28           HD2      LYS  28   4.387  11.203   2.170
  194    HD3  LYS  28           HD1      LYS  28   4.175  12.947   1.989
  195    HE2  LYS  28           HE2      LYS  28   4.090  13.114   4.476
  196    HE3  LYS  28           HE1      LYS  28   4.492  11.399   4.551
  197    HZ1  LYS  28           HZ1      LYS  28   6.519  11.949   3.244
  198    HZ2  LYS  28           HZ2      LYS  28   6.487  12.617   4.800
  199    HZ3  LYS  28           HZ3      LYS  28   6.151  13.589   3.455
  200    H    THR  29           HN       THR  29   2.484   7.868  -0.175
  201    HA   THR  29           HA       THR  29   1.106   8.514  -2.530
  202    HB   THR  29           HB       THR  29   1.926   5.782  -1.554
  203    HG1  THR  29           HG1      THR  29   3.833   6.795  -1.678
  204   HG21  THR  29          HG21      THR  29   1.979   5.202  -3.912
  205   HG22  THR  29          HG22      THR  29   1.453   6.832  -4.333
  206   HG23  THR  29          HG23      THR  29   0.365   5.751  -3.446
  207    H    THR  30           HN       THR  30  -0.737   7.831  -3.357
  208    HA   THR  30           HA       THR  30  -2.887   7.288  -1.544
  209    HB   THR  30           HB       THR  30  -3.362   7.419  -4.468
  210    HG1  THR  30           HG1      THR  30  -3.032   9.739  -4.369
  211   HG21  THR  30          HG21      THR  30  -5.028   9.155  -3.547
  212   HG22  THR  30          HG22      THR  30  -4.579   8.526  -1.956
  213   HG23  THR  30          HG23      THR  30  -5.306   7.462  -3.162
  214    H    THR  31           HN       THR  31  -4.606   5.793  -2.421
  215    HA   THR  31           HA       THR  31  -3.779   3.148  -2.305
  216    HB   THR  31           HB       THR  31  -5.915   3.945  -1.527
  217    HG1  THR  31           HG1      THR  31  -7.257   2.321  -2.493
  218   HG21  THR  31          HG21      THR  31  -6.364   5.676  -3.166
  219   HG22  THR  31          HG22      THR  31  -7.724   4.555  -3.099
  220   HG23  THR  31          HG23      THR  31  -6.567   4.460  -4.428
  221    H    TRP  32           HN       TRP  32  -5.538   1.932  -4.464
  222    HA   TRP  32           HA       TRP  32  -3.336   0.622  -5.007
  223    HB2  TRP  32           HB2      TRP  32  -5.744   0.961  -6.714
  224    HB3  TRP  32           HB1      TRP  32  -4.391   0.019  -7.332
  225    HD1  TRP  32           HD1      TRP  32  -3.824  -2.283  -6.043
  226    HE1  TRP  32           HE1      TRP  32  -5.302  -3.819  -4.595
  227    HE3  TRP  32           HE3      TRP  32  -7.594   0.985  -5.048
  228    HZ2  TRP  32           HZ2      TRP  32  -7.772  -3.651  -3.224
  229    HZ3  TRP  32           HZ3      TRP  32  -9.504   0.222  -3.671
  230    HH2  TRP  32           HH2      TRP  32  -9.577  -2.049  -2.778
  231    H    SER  33           HN       SER  33  -1.546   1.710  -5.316
  232    HA   SER  33           HA       SER  33  -0.957   2.673  -8.002
  233    HB2  SER  33           HB2      SER  33  -1.260   4.655  -6.506
  234    HB3  SER  33           HB1      SER  33  -0.011   4.010  -5.444
  235    HG   SER  33           HG       SER  33   1.395   4.898  -6.709
  236    H    LYS  34           HN       LYS  34   1.343   2.349  -8.523
  237    HA   LYS  34           HA       LYS  34   2.502   0.052  -7.321
  238    HB2  LYS  34           HB2      LYS  34   3.145   1.829  -9.522
  239    HB3  LYS  34           HB1      LYS  34   4.582   1.371  -8.622
  240    HG2  LYS  34           HG2      LYS  34   4.032  -0.110 -10.555
  241    HG3  LYS  34           HG1      LYS  34   4.192  -0.938  -9.006
  242    HD2  LYS  34           HD2      LYS  34   1.779  -1.018  -8.771
  243    HD3  LYS  34           HD1      LYS  34   1.578  -0.114 -10.272
  244    HE2  LYS  34           HE2      LYS  34   2.984  -2.767 -10.103
  245    HE3  LYS  34           HE1      LYS  34   1.261  -2.607 -10.434
  246    HZ1  LYS  34           HZ1      LYS  34   2.774  -2.822 -12.415
  247    HZ2  LYS  34           HZ2      LYS  34   3.325  -1.258 -12.080
  248    HZ3  LYS  34           HZ3      LYS  34   1.688  -1.519 -12.450
  249    HA   PRO  35           HA       PRO  35   4.231   1.716  -3.570
  250    HB2  PRO  35           HB2      PRO  35   6.349  -0.222  -3.855
  251    HB3  PRO  35           HB1      PRO  35   5.019  -0.195  -2.698
  252    HG2  PRO  35           HG2      PRO  35   5.305  -1.750  -5.137
  253    HG3  PRO  35           HG1      PRO  35   4.116  -1.920  -3.835
  254    HD2  PRO  35           HD2      PRO  35   3.548  -1.036  -6.371
  255    HD3  PRO  35           HD1      PRO  35   2.575  -0.673  -4.933
  256    H    THR  36           HN       THR  36   6.340   2.458  -2.751
  257    HA   THR  36           HA       THR  36   7.523   4.222  -4.648
  258    HB   THR  36           HB       THR  36   9.023   4.714  -2.564
  259    HG1  THR  36           HG1      THR  36   7.362   4.042  -0.725
  260   HG21  THR  36          HG21      THR  36   7.215   6.154  -3.410
  261   HG22  THR  36          HG22      THR  36   7.266   6.139  -1.648
  262   HG23  THR  36          HG23      THR  36   6.043   5.200  -2.505
  263    H    MET  37           HN       MET  37   8.154   1.033  -4.183
  264    HA   MET  37           HA       MET  37  11.011   1.345  -4.814
  265    HB2  MET  37           HB2      MET  37  11.353  -0.927  -3.990
  266    HB3  MET  37           HB1      MET  37  10.623   0.078  -2.745
  267    HG2  MET  37           HG2      MET  37   8.431  -0.913  -3.273
  268    HG3  MET  37           HG1      MET  37   9.206  -1.953  -4.466
  269    HE1  MET  37           HE1      MET  37  11.069  -3.751  -3.836
  270    HE2  MET  37           HE2      MET  37  11.570  -4.112  -2.184
  271    HE3  MET  37           HE3      MET  37  11.986  -2.559  -2.910
  272    H    GLN  38           HN       GLN  38  11.812   0.395  -6.663
  273    HA   GLN  38           HA       GLN  38   9.751  -0.688  -8.466
  274    HB2  GLN  38           HB2      GLN  38  10.509   1.572  -9.105
  275    HB3  GLN  38           HB1      GLN  38  12.166   0.990  -9.176
  276    HG2  GLN  38           HG2      GLN  38  11.652  -0.438 -11.019
  277    HG3  GLN  38           HG1      GLN  38   9.934  -0.051 -10.893
  278    H    ASP  39           HN       ASP  39  10.188  -2.489  -9.595
  279    HA   ASP  39           HA       ASP  39  12.893  -3.507  -9.838
  280    HB2  ASP  39           HB2      ASP  39  12.043  -4.485  -7.701
  281    HB3  ASP  39           HB1      ASP  39  10.709  -5.197  -8.598
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   1.707  11.141 -11.433
    2    H2   GLY   1           HT2      GLY   1   1.277   9.581 -11.943
    3    H3   GLY   1           HT3      GLY   1   2.452  10.454 -12.788
    4    HA2  GLY   1           HA1      GLY   1   3.439   8.734 -11.357
    5    HA3  GLY   1           HA2      GLY   1   3.962  10.365 -10.940
    6    H    SER   2           HN       SER   2   2.164   7.582  -9.920
    7    HA   SER   2           HA       SER   2   1.604   8.914  -7.350
    8    HB2  SER   2           HB2      SER   2  -0.079   6.683  -8.483
    9    HB3  SER   2           HB1      SER   2  -0.501   7.855  -7.233
   10    HG   SER   2           HG       SER   2  -1.177   9.161  -8.727
   11    H    SER   3           HN       SER   3   2.099   7.751  -5.501
   12    HA   SER   3           HA       SER   3   3.421   5.154  -5.949
   13    HB2  SER   3           HB2      SER   3   4.818   5.745  -3.952
   14    HB3  SER   3           HB1      SER   3   5.068   6.804  -5.340
   15    HG   SER   3           HG       SER   3   3.700   7.326  -2.914
   16    H    SER   4           HN       SER   4   2.714   3.453  -4.812
   17    HA   SER   4           HA       SER   4   1.512   3.698  -2.225
   18    HB2  SER   4           HB2      SER   4  -0.207   2.756  -4.530
   19    HB3  SER   4           HB1      SER   4  -0.635   2.593  -2.830
   20    HG   SER   4           HG       SER   4   0.052   5.146  -3.429
   21    H    GLY   5           HN       GLY   5   0.084   1.047  -2.765
   22    HA2  GLY   5           HA2      GLY   5   0.572  -1.206  -2.622
   23    HA3  GLY   5           HA1      GLY   5   2.119  -0.866  -3.394
   24    H    LEU   6           HN       LEU   6   1.633  -2.653  -0.994
   25    HA   LEU   6           HA       LEU   6   3.593  -1.104   0.479
   26    HB2  LEU   6           HB2      LEU   6   2.995  -1.781   2.454
   27    HB3  LEU   6           HB1      LEU   6   1.433  -1.916   1.667
   28    HG   LEU   6           HG       LEU   6   1.922  -4.404   1.427
   29   HD11  LEU   6          HD11      LEU   6   4.363  -4.197   1.876
   30   HD12  LEU   6          HD12      LEU   6   3.553  -5.381   2.906
   31   HD13  LEU   6          HD13      LEU   6   3.977  -3.792   3.547
   32   HD21  LEU   6          HD21      LEU   6   1.707  -3.245   4.193
   33   HD22  LEU   6          HD22      LEU   6   1.267  -4.887   3.726
   34   HD23  LEU   6          HD23      LEU   6   0.370  -3.514   3.078
   35    HA   PRO   7           HA       PRO   7   6.826  -3.899  -0.299
   36    HB2  PRO   7           HB2      PRO   7   8.504  -1.881  -0.742
   37    HB3  PRO   7           HB1      PRO   7   7.457  -2.471  -2.028
   38    HG2  PRO   7           HG2      PRO   7   7.237   0.002  -0.425
   39    HG3  PRO   7           HG1      PRO   7   6.712  -0.329  -2.091
   40    HD2  PRO   7           HD2      PRO   7   5.101  -0.364   0.265
   41    HD3  PRO   7           HD1      PRO   7   4.651  -0.823  -1.392
   42    HA   PRO   8           HA       PRO   8   9.163  -2.922   3.649
   43    HB2  PRO   8           HB2      PRO   8  10.816  -1.858   1.358
   44    HB3  PRO   8           HB1      PRO   8  11.387  -2.545   2.872
   45    HG2  PRO   8           HG2      PRO   8  11.265  -4.032   0.665
   46    HG3  PRO   8           HG1      PRO   8  10.828  -4.721   2.241
   47    HD2  PRO   8           HD2      PRO   8   9.097  -4.090  -0.050
   48    HD3  PRO   8           HD1      PRO   8   8.753  -5.096   1.373
   49    H    GLY   9           HN       GLY   9   8.299  -1.153   4.731
   50    HA2  GLY   9           HA2      GLY   9   8.661   1.180   5.213
   51    HA3  GLY   9           HA1      GLY   9   8.798   1.467   3.481
   52    H    TRP  10           HN       TRP  10   6.219  -0.386   3.364
   53    HA   TRP  10           HA       TRP  10   4.436   1.958   3.675
   54    HB2  TRP  10           HB2      TRP  10   4.434  -0.051   1.410
   55    HB3  TRP  10           HB1      TRP  10   3.384   1.355   1.561
   56    HD1  TRP  10           HD1      TRP  10   7.272   1.068   1.775
   57    HE1  TRP  10           HE1      TRP  10   8.277   2.778   0.143
   58    HE3  TRP  10           HE3      TRP  10   2.946   2.836  -0.278
   59    HZ2  TRP  10           HZ2      TRP  10   7.366   4.604  -1.783
   60    HZ3  TRP  10           HZ3      TRP  10   3.118   4.551  -2.029
   61    HH2  TRP  10           HH2      TRP  10   5.273   5.408  -2.765
   62    H    GLU  11           HN       GLU  11   2.036   1.314   3.545
   63    HA   GLU  11           HA       GLU  11   1.636  -1.325   4.785
   64    HB2  GLU  11           HB2      GLU  11   1.030   1.312   5.902
   65    HB3  GLU  11           HB1      GLU  11  -0.331   0.205   5.948
   66    HG2  GLU  11           HG2      GLU  11   0.869   0.080   8.015
   67    HG3  GLU  11           HG1      GLU  11   1.082  -1.431   7.132
   68    H    GLU  12           HN       GLU  12  -0.505  -2.211   4.561
   69    HA   GLU  12           HA       GLU  12  -2.132  -0.972   2.445
   70    HB2  GLU  12           HB2      GLU  12  -2.662  -3.134   1.583
   71    HB3  GLU  12           HB1      GLU  12  -0.918  -3.085   1.796
   72    HG2  GLU  12           HG2      GLU  12  -1.143  -4.327   3.900
   73    HG3  GLU  12           HG1      GLU  12  -2.886  -4.404   3.651
   74    H    LYS  13           HN       LYS  13  -4.353  -0.914   2.788
   75    HA   LYS  13           HA       LYS  13  -5.343  -2.056   5.300
   76    HB2  LYS  13           HB2      LYS  13  -5.837   0.788   4.389
   77    HB3  LYS  13           HB1      LYS  13  -6.574   0.024   5.789
   78    HG2  LYS  13           HG2      LYS  13  -3.653   0.630   5.401
   79    HG3  LYS  13           HG1      LYS  13  -4.770   1.431   6.511
   80    HD2  LYS  13           HD2      LYS  13  -4.921  -0.445   7.893
   81    HD3  LYS  13           HD1      LYS  13  -4.284  -1.528   6.656
   82    HE2  LYS  13           HE2      LYS  13  -2.553  -1.238   8.249
   83    HE3  LYS  13           HE1      LYS  13  -2.104  -0.265   6.842
   84    HZ1  LYS  13           HZ1      LYS  13  -3.541   0.887   9.162
   85    HZ2  LYS  13           HZ2      LYS  13  -2.673   1.701   7.954
   86    HZ3  LYS  13           HZ3      LYS  13  -1.853   0.786   9.118
   87    H    GLN  14           HN       GLN  14  -6.989  -3.328   4.854
   88    HA   GLN  14           HA       GLN  14  -8.350  -3.095   2.303
   89    HB2  GLN  14           HB2      GLN  14  -9.278  -5.277   2.771
   90    HB3  GLN  14           HB1      GLN  14  -7.550  -5.302   3.066
   91    HG2  GLN  14           HG2      GLN  14  -9.656  -5.070   5.207
   92    HG3  GLN  14           HG1      GLN  14  -8.865  -6.566   4.724
   93   HE21  GLN  14          HE21      GLN  14  -8.548  -3.572   6.425
   94   HE22  GLN  14          HE22      GLN  14  -7.066  -3.954   7.230
   95    H    ASP  15           HN       ASP  15 -10.719  -3.365   2.212
   96    HA   ASP  15           HA       ASP  15 -11.987  -1.616   4.193
   97    HB2  ASP  15           HB2      ASP  15 -13.637  -1.148   2.547
   98    HB3  ASP  15           HB1      ASP  15 -12.100  -1.149   1.686
   99    H    ASP  16           HN       ASP  16 -14.672  -2.411   3.713
  100    HA   ASP  16           HA       ASP  16 -14.857  -4.635   5.502
  101    HB2  ASP  16           HB2      ASP  16 -17.284  -4.363   5.286
  102    HB3  ASP  16           HB1      ASP  16 -16.502  -2.811   5.561
  103    H    ARG  17           HN       ARG  17 -15.088  -4.218   2.032
  104    HA   ARG  17           HA       ARG  17 -16.320  -6.770   1.555
  105    HB2  ARG  17           HB2      ARG  17 -14.949  -4.852  -0.331
  106    HB3  ARG  17           HB1      ARG  17 -15.834  -6.278  -0.824
  107    HG2  ARG  17           HG2      ARG  17 -17.862  -5.367   0.113
  108    HG3  ARG  17           HG1      ARG  17 -16.974  -3.950   0.651
  109    HD2  ARG  17           HD2      ARG  17 -18.196  -3.517  -1.426
  110    HD3  ARG  17           HD1      ARG  17 -16.452  -3.367  -1.645
  111    HE   ARG  17           HE       ARG  17 -17.338  -5.990  -2.276
  112   HH11  ARG  17          HH11      ARG  17 -17.306  -2.723  -3.521
  113   HH12  ARG  17          HH12      ARG  17 -17.334  -3.214  -5.189
  114   HH21  ARG  17          HH21      ARG  17 -17.360  -6.675  -4.445
  115   HH22  ARG  17          HH22      ARG  17 -17.335  -5.489  -5.723
  116    H    GLY  18           HN       GLY  18 -13.031  -5.485   1.490
  117    HA2  GLY  18           HA2      GLY  18 -11.379  -7.146   2.332
  118    HA3  GLY  18           HA1      GLY  18 -12.099  -8.282   1.207
  119    H    ARG  19           HN       ARG  19 -11.792  -5.028   0.118
  120    HA   ARG  19           HA       ARG  19  -9.547  -5.873  -1.576
  121    HB2  ARG  19           HB2      ARG  19 -10.129  -4.031  -3.068
  122    HB3  ARG  19           HB1      ARG  19 -11.517  -5.073  -2.810
  123    HG2  ARG  19           HG2      ARG  19 -12.120  -3.340  -0.977
  124    HG3  ARG  19           HG1      ARG  19 -11.046  -2.288  -1.906
  125    HD2  ARG  19           HD2      ARG  19 -13.505  -3.721  -2.895
  126    HD3  ARG  19           HD1      ARG  19 -13.289  -1.989  -2.689
  127    HE   ARG  19           HE       ARG  19 -11.639  -3.477  -4.613
  128   HH11  ARG  19          HH11      ARG  19 -13.937  -0.934  -3.899
  129   HH12  ARG  19          HH12      ARG  19 -13.858  -0.250  -5.492
  130   HH21  ARG  19          HH21      ARG  19 -11.557  -2.591  -6.714
  131   HH22  ARG  19          HH22      ARG  19 -12.508  -1.176  -7.085
  132    H    SER  20           HN       SER  20  -7.634  -5.365  -0.826
  133    HA   SER  20           HA       SER  20  -7.368  -3.344   1.218
  134    HB2  SER  20           HB2      SER  20  -6.301  -5.550   1.456
  135    HB3  SER  20           HB1      SER  20  -5.340  -5.240   0.018
  136    HG   SER  20           HG       SER  20  -4.009  -4.628   1.587
  137    H    TYR  21           HN       TYR  21  -7.221  -1.284   0.536
  138    HA   TYR  21           HA       TYR  21  -5.527  -0.702  -1.761
  139    HB2  TYR  21           HB2      TYR  21  -6.261   1.740  -1.170
  140    HB3  TYR  21           HB1      TYR  21  -7.357   0.661  -2.023
  141    HD1  TYR  21           HD2      TYR  21  -6.620   2.298   1.181
  142    HD2  TYR  21           HD1      TYR  21  -9.406  -0.092  -0.965
  143    HE1  TYR  21           HE2      TYR  21  -8.287   2.672   2.947
  144    HE2  TYR  21           HE1      TYR  21 -11.082   0.264   0.803
  145    HH   TYR  21           HH       TYR  21 -10.725   2.603   3.250
  146    H    TYR  22           HN       TYR  22  -3.804   0.784  -1.611
  147    HA   TYR  22           HA       TYR  22  -2.302   0.056   0.777
  148    HB2  TYR  22           HB2      TYR  22  -1.345   1.198  -1.840
  149    HB3  TYR  22           HB1      TYR  22  -0.339   0.467  -0.585
  150    HD1  TYR  22           HD2      TYR  22  -0.905  -2.023  -0.009
  151    HD2  TYR  22           HD1      TYR  22  -2.118  -0.084  -3.596
  152    HE1  TYR  22           HE2      TYR  22  -1.172  -4.213  -1.093
  153    HE2  TYR  22           HE1      TYR  22  -2.398  -2.266  -4.689
  154    HH   TYR  22           HH       TYR  22  -1.559  -4.548  -4.465
  155    H    VAL  23           HN       VAL  23  -1.526   1.486   2.213
  156    HA   VAL  23           HA       VAL  23  -1.941   4.328   1.648
  157    HB   VAL  23           HB       VAL  23  -2.948   3.742   3.734
  158   HG11  VAL  23          HG11      VAL  23  -1.760   1.670   4.182
  159   HG12  VAL  23          HG12      VAL  23  -1.718   2.733   5.587
  160   HG13  VAL  23          HG13      VAL  23  -0.297   2.578   4.560
  161   HG21  VAL  23          HG21      VAL  23  -0.327   5.144   4.265
  162   HG22  VAL  23          HG22      VAL  23  -1.751   5.196   5.302
  163   HG23  VAL  23          HG23      VAL  23  -1.810   5.902   3.686
  164    H    ASP  24           HN       ASP  24  -0.403   5.480   1.045
  165    HA   ASP  24           HA       ASP  24   2.259   4.442   0.767
  166    HB2  ASP  24           HB2      ASP  24   1.674   5.422  -1.200
  167    HB3  ASP  24           HB1      ASP  24   0.561   6.540  -0.428
  168    H    HIS  25           HN       HIS  25   3.856   4.845   2.112
  169    HA   HIS  25           HA       HIS  25   3.649   6.931   4.104
  170    HB2  HIS  25           HB2      HIS  25   5.628   4.739   3.577
  171    HB3  HIS  25           HB1      HIS  25   6.011   6.042   4.695
  172    HD1  HIS  25           HD1      HIS  25   5.131   5.844   7.019
  173    HD2  HIS  25           HD2      HIS  25   3.351   3.144   4.415
  174    HE1  HIS  25           HE1      HIS  25   3.745   4.327   8.462
  175    HE2  HIS  25           HE2      HIS  25   2.980   2.514   6.890
  176    H    ASN  26           HN       ASN  26   4.885   6.717   0.952
  177    HA   ASN  26           HA       ASN  26   7.217   8.354   1.355
  178    HB2  ASN  26           HB2      ASN  26   7.298   6.712  -0.398
  179    HB3  ASN  26           HB1      ASN  26   5.845   7.345  -1.152
  180   HD21  ASN  26          HD21      ASN  26   5.979   9.227  -2.386
  181   HD22  ASN  26          HD22      ASN  26   7.495   9.877  -2.906
  182    H    SER  27           HN       SER  27   4.094   8.863  -0.307
  183    HA   SER  27           HA       SER  27   4.641  11.754  -0.279
  184    HB2  SER  27           HB2      SER  27   2.400  10.361  -1.753
  185    HB3  SER  27           HB1      SER  27   3.087  11.953  -2.070
  186    HG   SER  27           HG       SER  27   3.854   9.543  -3.027
  187    H    LYS  28           HN       LYS  28   2.966   9.368   1.335
  188    HA   LYS  28           HA       LYS  28   1.561   9.364   3.099
  189    HB2  LYS  28           HB2      LYS  28   1.781  12.357   2.843
  190    HB3  LYS  28           HB1      LYS  28   0.712  11.601   4.015
  191    HG2  LYS  28           HG2      LYS  28   2.686  12.119   5.185
  192    HG3  LYS  28           HG1      LYS  28   2.754  10.384   4.895
  193    HD2  LYS  28           HD2      LYS  28   4.285  10.710   3.056
  194    HD3  LYS  28           HD1      LYS  28   4.142  12.462   3.210
  195    HE2  LYS  28           HE2      LYS  28   6.195  11.791   4.233
  196    HE3  LYS  28           HE1      LYS  28   5.080  12.269   5.510
  197    HZ1  LYS  28           HZ1      LYS  28   5.718   9.483   4.691
  198    HZ2  LYS  28           HZ2      LYS  28   4.590   9.910   5.885
  199    HZ3  LYS  28           HZ3      LYS  28   6.235  10.253   6.114
  200    H    THR  29           HN       THR  29   0.704   9.057   0.406
  201    HA   THR  29           HA       THR  29  -2.068  10.050   0.581
  202    HB   THR  29           HB       THR  29  -0.797  10.567  -1.520
  203    HG1  THR  29           HG1      THR  29  -2.642   9.128  -2.749
  204   HG21  THR  29          HG21      THR  29  -0.483   8.746  -3.154
  205   HG22  THR  29          HG22      THR  29  -0.934   7.576  -1.912
  206   HG23  THR  29          HG23      THR  29   0.526   8.551  -1.725
  207    H    THR  30           HN       THR  30  -3.612   8.355  -0.593
  208    HA   THR  30           HA       THR  30  -2.890   5.598   0.059
  209    HB   THR  30           HB       THR  30  -5.510   6.798   0.985
  210    HG1  THR  30           HG1      THR  30  -3.049   6.799   2.142
  211   HG21  THR  30          HG21      THR  30  -5.744   4.674   2.204
  212   HG22  THR  30          HG22      THR  30  -4.236   4.102   1.485
  213   HG23  THR  30          HG23      THR  30  -5.638   4.419   0.461
  214    H    THR  31           HN       THR  31  -3.042   4.706  -1.937
  215    HA   THR  31           HA       THR  31  -5.477   4.971  -3.494
  216    HB   THR  31           HB       THR  31  -2.921   5.878  -4.830
  217    HG1  THR  31           HG1      THR  31  -4.700   7.321  -3.198
  218   HG21  THR  31          HG21      THR  31  -4.772   5.191  -6.282
  219   HG22  THR  31          HG22      THR  31  -4.491   6.930  -6.404
  220   HG23  THR  31          HG23      THR  31  -5.844   6.315  -5.454
  221    H    TRP  32           HN       TRP  32  -4.943   3.798  -5.803
  222    HA   TRP  32           HA       TRP  32  -3.493   1.345  -5.114
  223    HB2  TRP  32           HB2      TRP  32  -5.086   1.829  -7.640
  224    HB3  TRP  32           HB1      TRP  32  -4.652   0.287  -6.911
  225    HD1  TRP  32           HD1      TRP  32  -7.056   3.240  -6.432
  226    HE1  TRP  32           HE1      TRP  32  -9.076   2.457  -5.049
  227    HE3  TRP  32           HE3      TRP  32  -5.446  -1.475  -5.271
  228    HZ2  TRP  32           HZ2      TRP  32  -9.879   0.136  -3.649
  229    HZ3  TRP  32           HZ3      TRP  32  -6.906  -2.910  -3.903
  230    HH2  TRP  32           HH2      TRP  32  -9.076  -2.118  -3.111
  231    H    SER  33           HN       SER  33  -1.397   1.985  -5.347
  232    HA   SER  33           HA       SER  33  -0.447   2.382  -8.070
  233    HB2  SER  33           HB2      SER  33   0.516   4.042  -5.728
  234    HB3  SER  33           HB1      SER  33   1.118   4.128  -7.388
  235    HG   SER  33           HG       SER  33  -1.479   4.420  -7.556
  236    H    LYS  34           HN       LYS  34   1.890   1.775  -8.299
  237    HA   LYS  34           HA       LYS  34   2.361  -0.572  -6.706
  238    HB2  LYS  34           HB2      LYS  34   4.143  -1.089  -8.158
  239    HB3  LYS  34           HB1      LYS  34   2.869  -0.415  -9.159
  240    HG2  LYS  34           HG2      LYS  34   4.058   1.480  -9.646
  241    HG3  LYS  34           HG1      LYS  34   5.015   1.388  -8.161
  242    HD2  LYS  34           HD2      LYS  34   6.354   0.836 -10.155
  243    HD3  LYS  34           HD1      LYS  34   6.235  -0.516  -9.020
  244    HE2  LYS  34           HE2      LYS  34   5.978  -1.264 -11.334
  245    HE3  LYS  34           HE1      LYS  34   4.510  -1.539 -10.398
  246    HZ1  LYS  34           HZ1      LYS  34   3.600   0.512 -11.364
  247    HZ2  LYS  34           HZ2      LYS  34   3.943  -0.670 -12.531
  248    HZ3  LYS  34           HZ3      LYS  34   4.983   0.659 -12.341
  249    HA   PRO  35           HA       PRO  35   4.981   0.352  -3.324
  250    HB2  PRO  35           HB2      PRO  35   6.813  -1.442  -4.889
  251    HB3  PRO  35           HB1      PRO  35   6.503  -1.414  -3.147
  252    HG2  PRO  35           HG2      PRO  35   5.245  -3.170  -4.602
  253    HG3  PRO  35           HG1      PRO  35   4.333  -2.220  -3.397
  254    HD2  PRO  35           HD2      PRO  35   4.396  -1.975  -6.371
  255    HD3  PRO  35           HD1      PRO  35   3.045  -1.704  -5.250
  256    H    THR  36           HN       THR  36   6.721   1.422  -2.518
  257    HA   THR  36           HA       THR  36   8.265   3.228  -2.788
  258    HB   THR  36           HB       THR  36   9.146   1.519  -1.360
  259    HG1  THR  36           HG1      THR  36  11.337   1.816  -1.690
  260   HG21  THR  36          HG21      THR  36  10.393  -0.422  -2.186
  261   HG22  THR  36          HG22      THR  36  10.026   0.047  -3.843
  262   HG23  THR  36          HG23      THR  36   8.723  -0.434  -2.760
  263    H    MET  37           HN       MET  37  10.099   0.924  -4.697
  264    HA   MET  37           HA       MET  37  10.004   2.553  -7.087
  265    HB2  MET  37           HB2      MET  37  12.419   2.353  -5.306
  266    HB3  MET  37           HB1      MET  37  12.627   2.495  -7.044
  267    HG2  MET  37           HG2      MET  37  10.903   4.461  -5.607
  268    HG3  MET  37           HG1      MET  37  12.658   4.606  -5.528
  269    HE1  MET  37           HE1      MET  37  10.316   3.392  -8.509
  270    HE2  MET  37           HE2      MET  37  10.178   4.898  -9.421
  271    HE3  MET  37           HE3      MET  37   9.469   4.777  -7.811
  272    H    GLN  38           HN       GLN  38  11.076   1.470  -8.881
  273    HA   GLN  38           HA       GLN  38  10.756  -1.386  -8.682
  274    HB2  GLN  38           HB2      GLN  38   9.932  -0.104 -10.634
  275    HB3  GLN  38           HB1      GLN  38  11.591   0.313 -11.036
  276    HG2  GLN  38           HG2      GLN  38  12.118  -1.928 -11.575
  277    HG3  GLN  38           HG1      GLN  38  10.615  -2.518 -10.863
  278    H    ASP  39           HN       ASP  39  12.373  -2.266  -7.534
  279    HA   ASP  39           HA       ASP  39  15.145  -1.613  -8.263
  280    HB2  ASP  39           HB2      ASP  39  14.428  -1.256  -5.874
  281    HB3  ASP  39           HB1      ASP  39  14.157  -2.990  -5.753
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   2.477  -7.951  15.686
    2    H2   GLY   1           HT2      GLY   1   3.748  -8.097  16.790
    3    H3   GLY   1           HT3      GLY   1   3.060  -9.485  16.106
    4    HA2  GLY   1           HA1      GLY   1   4.610  -7.406  14.665
    5    HA3  GLY   1           HA2      GLY   1   5.166  -9.029  15.058
    6    H    SER   2           HN       SER   2   4.006  -7.182  12.648
    7    HA   SER   2           HA       SER   2   2.030  -8.710  11.405
    8    HB2  SER   2           HB2      SER   2   2.823  -6.361  10.799
    9    HB3  SER   2           HB1      SER   2   4.148  -7.138   9.932
   10    HG   SER   2           HG       SER   2   2.826  -7.526   8.362
   11    H    SER   3           HN       SER   3   2.024 -10.468  10.149
   12    HA   SER   3           HA       SER   3   4.245 -12.223  10.216
   13    HB2  SER   3           HB2      SER   3   2.645 -13.515   8.568
   14    HB3  SER   3           HB1      SER   3   2.213 -13.339  10.271
   15    HG   SER   3           HG       SER   3   1.042 -12.239   8.014
   16    H    SER   4           HN       SER   4   2.962  -9.997   7.874
   17    HA   SER   4           HA       SER   4   5.347 -10.430   6.231
   18    HB2  SER   4           HB2      SER   4   3.798  -9.873   4.221
   19    HB3  SER   4           HB1      SER   4   3.733 -11.505   4.885
   20    HG   SER   4           HG       SER   4   1.787 -11.128   5.696
   21    H    GLY   5           HN       GLY   5   6.016  -8.527   5.052
   22    HA2  GLY   5           HA2      GLY   5   4.945  -6.060   6.284
   23    HA3  GLY   5           HA1      GLY   5   6.662  -6.327   6.029
   24    H    LEU   6           HN       LEU   6   4.451  -4.413   4.984
   25    HA   LEU   6           HA       LEU   6   4.525  -4.830   2.145
   26    HB2  LEU   6           HB2      LEU   6   3.525  -2.534   3.856
   27    HB3  LEU   6           HB1      LEU   6   3.523  -2.476   2.102
   28    HG   LEU   6           HG       LEU   6   1.341  -3.085   2.770
   29   HD11  LEU   6          HD11      LEU   6   2.788  -5.576   1.914
   30   HD12  LEU   6          HD12      LEU   6   2.159  -4.310   0.856
   31   HD13  LEU   6          HD13      LEU   6   1.050  -5.303   1.809
   32   HD21  LEU   6          HD21      LEU   6   2.574  -5.244   4.471
   33   HD22  LEU   6          HD22      LEU   6   0.847  -4.990   4.222
   34   HD23  LEU   6          HD23      LEU   6   1.805  -3.766   5.051
   35    HA   PRO   7           HA       PRO   7   8.228  -2.930   0.755
   36    HB2  PRO   7           HB2      PRO   7   7.140  -0.794  -0.757
   37    HB3  PRO   7           HB1      PRO   7   7.605  -2.389  -1.351
   38    HG2  PRO   7           HG2      PRO   7   4.928  -1.367  -0.565
   39    HG3  PRO   7           HG1      PRO   7   5.366  -2.536  -1.824
   40    HD2  PRO   7           HD2      PRO   7   4.260  -3.344   0.454
   41    HD3  PRO   7           HD1      PRO   7   5.560  -4.288  -0.301
   42    HA   PRO   8           HA       PRO   8   9.527   0.088   3.639
   43    HB2  PRO   8           HB2      PRO   8  10.845   1.293   1.228
   44    HB3  PRO   8           HB1      PRO   8  11.512   0.991   2.840
   45    HG2  PRO   8           HG2      PRO   8  12.057  -0.657   0.836
   46    HG3  PRO   8           HG1      PRO   8  11.738  -1.287   2.461
   47    HD2  PRO   8           HD2      PRO   8  10.027  -1.347   0.035
   48    HD3  PRO   8           HD1      PRO   8  10.102  -2.487   1.390
   49    H    GLY   9           HN       GLY   9   7.859   1.351   4.278
   50    HA2  GLY   9           HA2      GLY   9   7.233   3.655   4.514
   51    HA3  GLY   9           HA1      GLY   9   7.496   3.852   2.784
   52    H    TRP  10           HN       TRP  10   5.983   1.145   2.547
   53    HA   TRP  10           HA       TRP  10   3.450   2.564   2.155
   54    HB2  TRP  10           HB2      TRP  10   4.499   0.016   0.905
   55    HB3  TRP  10           HB1      TRP  10   2.950   0.767   0.520
   56    HD1  TRP  10           HD1      TRP  10   6.732   1.575   0.293
   57    HE1  TRP  10           HE1      TRP  10   7.079   3.234  -1.652
   58    HE3  TRP  10           HE3      TRP  10   1.868   2.330  -1.014
   59    HZ2  TRP  10           HZ2      TRP  10   5.497   4.630  -3.513
   60    HZ3  TRP  10           HZ3      TRP  10   1.353   3.835  -2.896
   61    HH2  TRP  10           HH2      TRP  10   3.137   4.966  -4.114
   62    H    GLU  11           HN       GLU  11   1.431   1.590   2.663
   63    HA   GLU  11           HA       GLU  11   1.587  -0.530   4.697
   64    HB2  GLU  11           HB2      GLU  11   1.485   1.928   5.539
   65    HB3  GLU  11           HB1      GLU  11  -0.193   1.866   5.024
   66    HG2  GLU  11           HG2      GLU  11  -0.186   1.389   7.320
   67    HG3  GLU  11           HG1      GLU  11  -0.450  -0.150   6.504
   68    H    GLU  12           HN       GLU  12   0.104  -2.107   4.345
   69    HA   GLU  12           HA       GLU  12  -1.927  -1.615   2.300
   70    HB2  GLU  12           HB2      GLU  12  -0.430  -3.546   1.977
   71    HB3  GLU  12           HB1      GLU  12  -0.984  -4.223   3.500
   72    HG2  GLU  12           HG2      GLU  12  -3.244  -4.422   2.592
   73    HG3  GLU  12           HG1      GLU  12  -2.693  -3.734   1.067
   74    H    LYS  13           HN       LYS  13  -3.785  -0.912   3.053
   75    HA   LYS  13           HA       LYS  13  -5.032  -2.418   5.262
   76    HB2  LYS  13           HB2      LYS  13  -4.955   0.518   4.776
   77    HB3  LYS  13           HB1      LYS  13  -6.474  -0.158   5.347
   78    HG2  LYS  13           HG2      LYS  13  -5.213   0.625   7.218
   79    HG3  LYS  13           HG1      LYS  13  -5.258  -1.138   7.266
   80    HD2  LYS  13           HD2      LYS  13  -3.027  -0.364   7.785
   81    HD3  LYS  13           HD1      LYS  13  -3.023  -1.191   6.225
   82    HE2  LYS  13           HE2      LYS  13  -1.722   0.753   5.929
   83    HE3  LYS  13           HE1      LYS  13  -3.283   1.071   5.165
   84    HZ1  LYS  13           HZ1      LYS  13  -2.496   2.951   6.516
   85    HZ2  LYS  13           HZ2      LYS  13  -2.528   1.964   7.896
   86    HZ3  LYS  13           HZ3      LYS  13  -3.969   2.329   7.083
   87    H    GLN  14           HN       GLN  14  -7.346  -2.774   4.981
   88    HA   GLN  14           HA       GLN  14  -7.894  -2.822   2.099
   89    HB2  GLN  14           HB2      GLN  14  -9.178  -4.877   2.492
   90    HB3  GLN  14           HB1      GLN  14  -7.515  -5.045   3.027
   91    HG2  GLN  14           HG2      GLN  14  -9.899  -4.570   4.812
   92    HG3  GLN  14           HG1      GLN  14  -9.072  -6.109   4.568
   93   HE21  GLN  14          HE21      GLN  14  -9.035  -3.044   6.153
   94   HE22  GLN  14          HE22      GLN  14  -7.653  -3.337   7.160
   95    H    ASP  15           HN       ASP  15  -9.281  -1.260   1.592
   96    HA   ASP  15           HA       ASP  15 -11.989  -1.911   2.215
   97    HB2  ASP  15           HB2      ASP  15 -11.032   0.878   2.846
   98    HB3  ASP  15           HB1      ASP  15 -12.700   0.495   2.453
   99    H    ASP  16           HN       ASP  16 -11.698  -2.446  -0.156
  100    HA   ASP  16           HA       ASP  16 -12.467  -0.068  -1.671
  101    HB2  ASP  16           HB2      ASP  16 -11.653  -1.750  -3.138
  102    HB3  ASP  16           HB1      ASP  16 -12.462  -3.038  -2.247
  103    H    ARG  17           HN       ARG  17 -13.993  -3.085  -0.780
  104    HA   ARG  17           HA       ARG  17 -15.703  -1.590   1.043
  105    HB2  ARG  17           HB2      ARG  17 -16.381  -4.266  -0.202
  106    HB3  ARG  17           HB1      ARG  17 -17.382  -3.283   0.850
  107    HG2  ARG  17           HG2      ARG  17 -17.720  -1.650  -0.830
  108    HG3  ARG  17           HG1      ARG  17 -16.495  -2.387  -1.867
  109    HD2  ARG  17           HD2      ARG  17 -17.933  -4.435  -1.964
  110    HD3  ARG  17           HD1      ARG  17 -19.182  -3.527  -1.112
  111    HE   ARG  17           HE       ARG  17 -19.127  -1.953  -3.034
  112   HH11  ARG  17          HH11      ARG  17 -18.022  -5.256  -3.447
  113   HH12  ARG  17          HH12      ARG  17 -18.330  -5.284  -5.156
  114   HH21  ARG  17          HH21      ARG  17 -19.529  -1.994  -5.286
  115   HH22  ARG  17          HH22      ARG  17 -19.185  -3.433  -6.203
  116    H    GLY  18           HN       GLY  18 -13.752  -4.349   0.173
  117    HA2  GLY  18           HA2      GLY  18 -12.625  -4.348   2.840
  118    HA3  GLY  18           HA1      GLY  18 -13.430  -5.840   2.378
  119    H    ARG  19           HN       ARG  19 -12.025  -4.259  -0.306
  120    HA   ARG  19           HA       ARG  19 -10.072  -6.346  -0.587
  121    HB2  ARG  19           HB2      ARG  19 -10.316  -3.946  -2.324
  122    HB3  ARG  19           HB1      ARG  19  -9.611  -5.486  -2.746
  123    HG2  ARG  19           HG2      ARG  19 -11.834  -6.505  -2.606
  124    HG3  ARG  19           HG1      ARG  19 -12.512  -4.913  -2.240
  125    HD2  ARG  19           HD2      ARG  19 -12.847  -5.268  -4.548
  126    HD3  ARG  19           HD1      ARG  19 -11.537  -4.108  -4.395
  127    HE   ARG  19           HE       ARG  19 -10.337  -6.590  -4.584
  128   HH11  ARG  19          HH11      ARG  19 -12.445  -4.615  -6.568
  129   HH12  ARG  19          HH12      ARG  19 -11.826  -5.232  -8.073
  130   HH21  ARG  19          HH21      ARG  19  -9.537  -7.421  -6.545
  131   HH22  ARG  19          HH22      ARG  19 -10.182  -6.852  -8.059
  132    H    SER  20           HN       SER  20  -7.821  -6.177  -0.525
  133    HA   SER  20           HA       SER  20  -6.854  -4.198   1.322
  134    HB2  SER  20           HB2      SER  20  -5.427  -6.426  -0.138
  135    HB3  SER  20           HB1      SER  20  -4.733  -5.467   1.170
  136    HG   SER  20           HG       SER  20  -5.750  -6.675   2.544
  137    H    TYR  21           HN       TYR  21  -6.163  -2.264   0.782
  138    HA   TYR  21           HA       TYR  21  -4.989  -1.868  -1.882
  139    HB2  TYR  21           HB2      TYR  21  -5.744   0.450  -1.767
  140    HB3  TYR  21           HB1      TYR  21  -7.098  -0.651  -1.583
  141    HD1  TYR  21           HD2      TYR  21  -4.736   1.437   0.425
  142    HD2  TYR  21           HD1      TYR  21  -8.580  -0.369   0.192
  143    HE1  TYR  21           HE2      TYR  21  -5.405   2.616   2.473
  144    HE2  TYR  21           HE1      TYR  21  -9.253   0.811   2.239
  145    HH   TYR  21           HH       TYR  21  -8.167   1.809   4.235
  146    H    TYR  22           HN       TYR  22  -3.734   0.403  -1.748
  147    HA   TYR  22           HA       TYR  22  -1.831   0.140   0.477
  148    HB2  TYR  22           HB2      TYR  22  -1.109   0.951  -2.345
  149    HB3  TYR  22           HB1      TYR  22  -0.006   0.612  -1.017
  150    HD1  TYR  22           HD2      TYR  22  -0.083  -1.792  -0.054
  151    HD2  TYR  22           HD1      TYR  22  -1.609  -0.716  -3.874
  152    HE1  TYR  22           HE2      TYR  22   0.083  -4.134  -0.764
  153    HE2  TYR  22           HE1      TYR  22  -1.451  -3.059  -4.600
  154    HH   TYR  22           HH       TYR  22  -0.351  -5.073  -4.063
  155    H    VAL  23           HN       VAL  23  -1.764   1.884   1.680
  156    HA   VAL  23           HA       VAL  23  -1.733   4.479   0.308
  157    HB   VAL  23           HB       VAL  23  -3.075   3.827   2.930
  158   HG11  VAL  23          HG11      VAL  23  -3.257   6.203   3.405
  159   HG12  VAL  23          HG12      VAL  23  -2.301   6.583   1.975
  160   HG13  VAL  23          HG13      VAL  23  -1.558   5.730   3.331
  161   HG21  VAL  23          HG21      VAL  23  -3.969   5.432   0.550
  162   HG22  VAL  23          HG22      VAL  23  -4.944   5.007   1.961
  163   HG23  VAL  23          HG23      VAL  23  -4.387   3.748   0.854
  164    H    ASP  24           HN       ASP  24  -0.048   5.763   0.819
  165    HA   ASP  24           HA       ASP  24   2.162   4.190   1.929
  166    HB2  ASP  24           HB2      ASP  24   2.265   4.756  -0.426
  167    HB3  ASP  24           HB1      ASP  24   2.077   6.465  -0.057
  168    H    HIS  25           HN       HIS  25   3.510   4.943   3.473
  169    HA   HIS  25           HA       HIS  25   2.887   7.435   4.834
  170    HB2  HIS  25           HB2      HIS  25   5.156   5.491   5.334
  171    HB3  HIS  25           HB1      HIS  25   4.693   6.824   6.378
  172    HD1  HIS  25           HD1      HIS  25   2.626   6.461   7.907
  173    HD2  HIS  25           HD2      HIS  25   3.665   3.194   5.557
  174    HE1  HIS  25           HE1      HIS  25   1.383   4.499   8.881
  175    HE2  HIS  25           HE2      HIS  25   2.252   2.502   7.602
  176    H    ASN  26           HN       ASN  26   5.147   6.112   2.563
  177    HA   ASN  26           HA       ASN  26   7.330   7.854   2.962
  178    HB2  ASN  26           HB2      ASN  26   7.628   5.744   1.832
  179    HB3  ASN  26           HB1      ASN  26   6.473   6.191   0.575
  180   HD21  ASN  26          HD21      ASN  26   7.125   7.536  -1.070
  181   HD22  ASN  26          HD22      ASN  26   8.783   7.979  -1.325
  182    H    SER  27           HN       SER  27   4.870   7.854   0.395
  183    HA   SER  27           HA       SER  27   5.526  10.668  -0.163
  184    HB2  SER  27           HB2      SER  27   3.804   9.190  -2.045
  185    HB3  SER  27           HB1      SER  27   5.181  10.246  -2.368
  186    HG   SER  27           HG       SER  27   5.225   7.517  -1.544
  187    H    LYS  28           HN       LYS  28   3.541   9.080   1.730
  188    HA   LYS  28           HA       LYS  28   1.387   9.154   2.465
  189    HB2  LYS  28           HB2      LYS  28   1.602  11.987   1.421
  190    HB3  LYS  28           HB1      LYS  28   0.299  11.395   2.447
  191    HG2  LYS  28           HG2      LYS  28   3.214  11.672   3.154
  192    HG3  LYS  28           HG1      LYS  28   1.840  12.537   3.850
  193    HD2  LYS  28           HD2      LYS  28   0.986  10.453   4.783
  194    HD3  LYS  28           HD1      LYS  28   2.332   9.566   4.067
  195    HE2  LYS  28           HE2      LYS  28   2.796   9.954   6.394
  196    HE3  LYS  28           HE1      LYS  28   3.889  10.934   5.419
  197    HZ1  LYS  28           HZ1      LYS  28   2.597  12.865   5.859
  198    HZ2  LYS  28           HZ2      LYS  28   2.895  12.106   7.349
  199    HZ3  LYS  28           HZ3      LYS  28   1.373  11.959   6.611
  200    H    THR  29           HN       THR  29   1.755   7.952   0.107
  201    HA   THR  29           HA       THR  29   0.242   9.003  -2.044
  202    HB   THR  29           HB       THR  29   1.317   6.197  -1.643
  203    HG1  THR  29           HG1      THR  29   3.043   7.062  -2.966
  204   HG21  THR  29          HG21      THR  29   1.211   6.021  -4.075
  205   HG22  THR  29          HG22      THR  29   0.520   7.641  -4.174
  206   HG23  THR  29          HG23      THR  29  -0.400   6.333  -3.410
  207    H    THR  30           HN       THR  30  -1.490   8.050  -3.047
  208    HA   THR  30           HA       THR  30  -3.627   7.249  -1.310
  209    HB   THR  30           HB       THR  30  -3.989   7.497  -4.256
  210    HG1  THR  30           HG1      THR  30  -3.389   9.667  -2.483
  211   HG21  THR  30          HG21      THR  30  -5.506   8.016  -1.745
  212   HG22  THR  30          HG22      THR  30  -6.040   7.257  -3.251
  213   HG23  THR  30          HG23      THR  30  -5.883   9.008  -3.156
  214    H    THR  31           HN       THR  31  -5.192   5.683  -2.474
  215    HA   THR  31           HA       THR  31  -4.179   3.131  -2.059
  216    HB   THR  31           HB       THR  31  -6.433   3.898  -1.548
  217    HG1  THR  31           HG1      THR  31  -7.268   1.962  -1.890
  218   HG21  THR  31          HG21      THR  31  -6.834   5.341  -3.454
  219   HG22  THR  31          HG22      THR  31  -8.113   4.140  -3.336
  220   HG23  THR  31          HG23      THR  31  -6.835   3.950  -4.533
  221    H    TRP  32           HN       TRP  32  -5.673   1.634  -4.186
  222    HA   TRP  32           HA       TRP  32  -3.379   0.437  -4.627
  223    HB2  TRP  32           HB2      TRP  32  -5.707   0.529  -6.511
  224    HB3  TRP  32           HB1      TRP  32  -4.312  -0.492  -6.825
  225    HD1  TRP  32           HD1      TRP  32  -3.964  -2.614  -5.232
  226    HE1  TRP  32           HE1      TRP  32  -5.606  -3.901  -3.726
  227    HE3  TRP  32           HE3      TRP  32  -7.659   0.863  -4.951
  228    HZ2  TRP  32           HZ2      TRP  32  -8.153  -3.489  -2.571
  229    HZ3  TRP  32           HZ3      TRP  32  -9.689   0.341  -3.626
  230    HH2  TRP  32           HH2      TRP  32  -9.921  -1.780  -2.453
  231    H    SER  33           HN       SER  33  -1.631   1.675  -5.014
  232    HA   SER  33           HA       SER  33  -1.118   2.216  -7.837
  233    HB2  SER  33           HB2      SER  33  -1.455   4.386  -6.645
  234    HB3  SER  33           HB1      SER  33  -0.162   3.947  -5.531
  235    HG   SER  33           HG       SER  33   1.308   4.208  -7.107
  236    H    LYS  34           HN       LYS  34   1.102   1.808  -8.442
  237    HA   LYS  34           HA       LYS  34   2.295  -0.289  -6.935
  238    HB2  LYS  34           HB2      LYS  34   2.567  -0.534  -9.190
  239    HB3  LYS  34           HB1      LYS  34   3.005   1.141  -9.471
  240    HG2  LYS  34           HG2      LYS  34   4.794  -0.808  -8.040
  241    HG3  LYS  34           HG1      LYS  34   4.792  -0.642  -9.794
  242    HD2  LYS  34           HD2      LYS  34   5.462   1.476  -7.754
  243    HD3  LYS  34           HD1      LYS  34   6.575   0.687  -8.872
  244    HE2  LYS  34           HE2      LYS  34   5.525   1.750 -10.755
  245    HE3  LYS  34           HE1      LYS  34   4.241   2.398  -9.738
  246    HZ1  LYS  34           HZ1      LYS  34   7.108   3.180  -9.762
  247    HZ2  LYS  34           HZ2      LYS  34   6.036   3.640  -8.534
  248    HZ3  LYS  34           HZ3      LYS  34   5.755   4.144 -10.126
  249    HA   PRO  35           HA       PRO  35   4.529   1.995  -4.062
  250    HB2  PRO  35           HB2      PRO  35   6.090  -0.407  -3.536
  251    HB3  PRO  35           HB1      PRO  35   4.755   0.275  -2.603
  252    HG2  PRO  35           HG2      PRO  35   4.488  -2.056  -3.920
  253    HG3  PRO  35           HG1      PRO  35   3.142  -0.902  -3.819
  254    HD2  PRO  35           HD2      PRO  35   5.123  -1.224  -6.043
  255    HD3  PRO  35           HD1      PRO  35   3.342  -1.233  -6.118
  256    H    THR  36           HN       THR  36   6.727   2.523  -3.236
  257    HA   THR  36           HA       THR  36   8.369   3.500  -5.253
  258    HB   THR  36           HB       THR  36   9.352   2.815  -2.488
  259    HG1  THR  36           HG1      THR  36   8.425   5.316  -2.638
  260   HG21  THR  36          HG21      THR  36  10.005   5.060  -4.405
  261   HG22  THR  36          HG22      THR  36  11.044   3.689  -4.016
  262   HG23  THR  36          HG23      THR  36  10.665   4.887  -2.780
  263    H    MET  37           HN       MET  37   8.919   0.692  -3.152
  264    HA   MET  37           HA       MET  37  10.158  -1.205  -3.368
  265    HB2  MET  37           HB2      MET  37  10.191  -0.507  -6.315
  266    HB3  MET  37           HB1      MET  37  10.681  -2.053  -5.631
  267    HG2  MET  37           HG2      MET  37   8.431  -2.478  -4.873
  268    HG3  MET  37           HG1      MET  37   7.914  -0.881  -5.409
  269    HE1  MET  37           HE1      MET  37   9.075  -4.460  -6.495
  270    HE2  MET  37           HE2      MET  37  10.320  -3.419  -7.191
  271    HE3  MET  37           HE3      MET  37   9.200  -4.275  -8.251
  272    H    GLN  38           HN       GLN  38  12.397  -2.006  -4.040
  273    HA   GLN  38           HA       GLN  38  14.286   0.036  -4.795
  274    HB2  GLN  38           HB2      GLN  38  15.712  -0.228  -2.786
  275    HB3  GLN  38           HB1      GLN  38  14.169   0.538  -2.436
  276    HG2  GLN  38           HG2      GLN  38  13.320  -1.497  -1.479
  277    HG3  GLN  38           HG1      GLN  38  14.768  -2.375  -1.974
  278    H    ASP  39           HN       ASP  39  16.175  -0.777  -5.594
  279    HA   ASP  39           HA       ASP  39  16.921  -3.520  -5.114
  280    HB2  ASP  39           HB2      ASP  39  17.066  -4.127  -7.488
  281    HB3  ASP  39           HB1      ASP  39  15.407  -3.799  -7.013
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   1.035 -16.804   3.092
    2    H2   GLY   1           HT2      GLY   1  -0.231 -17.221   4.140
    3    H3   GLY   1           HT3      GLY   1  -0.232 -15.714   3.370
    4    HA2  GLY   1           HA1      GLY   1  -0.414 -18.331   1.981
    5    HA3  GLY   1           HA2      GLY   1  -1.789 -17.293   2.337
    6    H    SER   2           HN       SER   2  -2.354 -16.847   0.235
    7    HA   SER   2           HA       SER   2  -0.465 -15.754  -1.625
    8    HB2  SER   2           HB2      SER   2  -3.494 -15.705  -1.716
    9    HB3  SER   2           HB1      SER   2  -2.399 -15.418  -3.071
   10    HG   SER   2           HG       SER   2  -3.332 -17.612  -2.857
   11    H    SER   3           HN       SER   3   0.464 -13.986  -0.619
   12    HA   SER   3           HA       SER   3  -1.046 -12.064   0.820
   13    HB2  SER   3           HB2      SER   3   1.726 -11.620  -0.267
   14    HB3  SER   3           HB1      SER   3   1.015 -10.984   1.215
   15    HG   SER   3           HG       SER   3   2.479 -13.130   0.966
   16    H    SER   4           HN       SER   4   0.668 -11.917  -2.298
   17    HA   SER   4           HA       SER   4   0.580 -10.449  -4.032
   18    HB2  SER   4           HB2      SER   4  -2.300 -10.111  -3.137
   19    HB3  SER   4           HB1      SER   4  -1.647  -9.639  -4.706
   20    HG   SER   4           HG       SER   4  -1.596 -12.289  -3.690
   21    H    GLY   5           HN       GLY   5   1.735  -9.445  -1.806
   22    HA2  GLY   5           HA2      GLY   5   0.632  -7.074  -0.759
   23    HA3  GLY   5           HA1      GLY   5   2.324  -7.544  -0.677
   24    H    LEU   6           HN       LEU   6   1.628  -4.943  -0.917
   25    HA   LEU   6           HA       LEU   6   1.585  -4.054  -3.634
   26    HB2  LEU   6           HB2      LEU   6   2.277  -2.422  -1.158
   27    HB3  LEU   6           HB1      LEU   6   1.670  -1.818  -2.684
   28    HG   LEU   6           HG       LEU   6   0.153  -3.399  -0.611
   29   HD11  LEU   6          HD11      LEU   6  -0.244  -0.653  -1.780
   30   HD12  LEU   6          HD12      LEU   6   0.260  -1.047  -0.134
   31   HD13  LEU   6          HD13      LEU   6  -1.364  -1.459  -0.683
   32   HD21  LEU   6          HD21      LEU   6  -0.714  -2.681  -3.401
   33   HD22  LEU   6          HD22      LEU   6  -1.759  -3.336  -2.139
   34   HD23  LEU   6          HD23      LEU   6  -0.426  -4.304  -2.773
   35    HA   PRO   7           HA       PRO   7   5.996  -3.463  -4.624
   36    HB2  PRO   7           HB2      PRO   7   5.659  -0.577  -4.900
   37    HB3  PRO   7           HB1      PRO   7   6.072  -1.768  -6.126
   38    HG2  PRO   7           HG2      PRO   7   3.661  -0.469  -5.936
   39    HG3  PRO   7           HG1      PRO   7   3.912  -1.983  -6.770
   40    HD2  PRO   7           HD2      PRO   7   2.586  -1.444  -4.223
   41    HD3  PRO   7           HD1      PRO   7   2.410  -2.824  -5.316
   42    HA   PRO   8           HA       PRO   8   7.638  -1.602  -0.891
   43    HB2  PRO   8           HB2      PRO   8  10.035  -0.717  -1.411
   44    HB3  PRO   8           HB1      PRO   8   9.640  -2.419  -1.629
   45    HG2  PRO   8           HG2      PRO   8   9.903  -0.264  -3.694
   46    HG3  PRO   8           HG1      PRO   8  10.441  -1.951  -3.765
   47    HD2  PRO   8           HD2      PRO   8   8.072  -0.965  -4.862
   48    HD3  PRO   8           HD1      PRO   8   8.414  -2.672  -4.514
   49    H    GLY   9           HN       GLY   9   7.769   0.143   0.437
   50    HA2  GLY   9           HA2      GLY   9   8.619   2.333   0.936
   51    HA3  GLY   9           HA1      GLY   9   8.174   2.834  -0.675
   52    H    TRP  10           HN       TRP  10   5.403   1.553  -0.269
   53    HA   TRP  10           HA       TRP  10   4.231   3.839   1.141
   54    HB2  TRP  10           HB2      TRP  10   3.089   1.747  -0.715
   55    HB3  TRP  10           HB1      TRP  10   2.038   2.764   0.255
   56    HD1  TRP  10           HD1      TRP  10   3.579   2.646  -3.072
   57    HE1  TRP  10           HE1      TRP  10   3.431   4.973  -4.193
   58    HE3  TRP  10           HE3      TRP  10   2.347   5.458   1.002
   59    HZ2  TRP  10           HZ2      TRP  10   2.864   7.628  -3.442
   60    HZ3  TRP  10           HZ3      TRP  10   2.031   7.882   0.718
   61    HH2  TRP  10           HH2      TRP  10   2.285   8.938  -1.456
   62    H    GLU  11           HN       GLU  11   2.110   3.208   2.514
   63    HA   GLU  11           HA       GLU  11   2.893   0.786   3.996
   64    HB2  GLU  11           HB2      GLU  11   3.137   2.786   5.324
   65    HB3  GLU  11           HB1      GLU  11   1.449   3.202   5.066
   66    HG2  GLU  11           HG2      GLU  11   0.773   1.180   6.241
   67    HG3  GLU  11           HG1      GLU  11   2.469   0.757   6.483
   68    H    GLU  12           HN       GLU  12   1.691  -0.851   3.662
   69    HA   GLU  12           HA       GLU  12  -0.688  -0.655   2.065
   70    HB2  GLU  12           HB2      GLU  12   1.021  -2.336   1.638
   71    HB3  GLU  12           HB1      GLU  12   0.762  -3.032   3.227
   72    HG2  GLU  12           HG2      GLU  12  -1.590  -3.529   2.515
   73    HG3  GLU  12           HG1      GLU  12  -1.114  -3.054   0.883
   74    H    LYS  13           HN       LYS  13  -2.713  -0.438   2.871
   75    HA   LYS  13           HA       LYS  13  -3.457  -2.265   5.066
   76    HB2  LYS  13           HB2      LYS  13  -4.693   0.476   4.697
   77    HB3  LYS  13           HB1      LYS  13  -4.927  -0.632   6.039
   78    HG2  LYS  13           HG2      LYS  13  -2.346   0.776   5.387
   79    HG3  LYS  13           HG1      LYS  13  -3.499   1.269   6.626
   80    HD2  LYS  13           HD2      LYS  13  -3.022  -0.558   7.980
   81    HD3  LYS  13           HD1      LYS  13  -2.360  -1.497   6.640
   82    HE2  LYS  13           HE2      LYS  13  -0.449   0.045   6.527
   83    HE3  LYS  13           HE1      LYS  13  -1.098   0.929   7.911
   84    HZ1  LYS  13           HZ1      LYS  13  -0.922  -1.164   9.195
   85    HZ2  LYS  13           HZ2      LYS  13   0.574  -0.564   8.674
   86    HZ3  LYS  13           HZ3      LYS  13  -0.134  -1.879   7.871
   87    H    GLN  14           HN       GLN  14  -4.785  -3.774   4.098
   88    HA   GLN  14           HA       GLN  14  -6.619  -2.725   2.070
   89    HB2  GLN  14           HB2      GLN  14  -6.745  -4.909   1.078
   90    HB3  GLN  14           HB1      GLN  14  -5.071  -4.414   1.218
   91    HG2  GLN  14           HG2      GLN  14  -6.458  -6.372   3.034
   92    HG3  GLN  14           HG1      GLN  14  -5.433  -6.773   1.658
   93   HE21  GLN  14          HE21      GLN  14  -3.598  -4.545   2.281
   94   HE22  GLN  14          HE22      GLN  14  -2.626  -5.127   3.584
   95    H    ASP  15           HN       ASP  15  -8.791  -3.303   2.052
   96    HA   ASP  15           HA       ASP  15  -9.760  -3.444   4.797
   97    HB2  ASP  15           HB2      ASP  15 -11.683  -2.318   4.056
   98    HB3  ASP  15           HB1      ASP  15 -10.384  -1.621   3.098
   99    H    ASP  16           HN       ASP  16 -12.294  -4.205   4.584
  100    HA   ASP  16           HA       ASP  16 -12.370  -6.948   4.823
  101    HB2  ASP  16           HB2      ASP  16 -14.702  -5.307   3.815
  102    HB3  ASP  16           HB1      ASP  16 -14.763  -6.771   4.787
  103    H    ARG  17           HN       ARG  17 -13.001  -4.978   1.966
  104    HA   ARG  17           HA       ARG  17 -13.977  -7.181   0.408
  105    HB2  ARG  17           HB2      ARG  17 -13.165  -4.419  -0.525
  106    HB3  ARG  17           HB1      ARG  17 -14.202  -5.564  -1.377
  107    HG2  ARG  17           HG2      ARG  17 -15.883  -5.389   0.319
  108    HG3  ARG  17           HG1      ARG  17 -14.845  -4.382   1.319
  109    HD2  ARG  17           HD2      ARG  17 -14.870  -2.727  -0.632
  110    HD3  ARG  17           HD1      ARG  17 -16.211  -3.684  -1.266
  111    HE   ARG  17           HE       ARG  17 -16.918  -3.192   1.319
  112   HH11  ARG  17          HH11      ARG  17 -16.156  -1.161  -1.449
  113   HH12  ARG  17          HH12      ARG  17 -17.033   0.205  -0.823
  114   HH21  ARG  17          HH21      ARG  17 -18.070  -1.432   2.098
  115   HH22  ARG  17          HH22      ARG  17 -18.114   0.062   1.206
  116    H    GLY  18           HN       GLY  18 -10.911  -6.235   1.300
  117    HA2  GLY  18           HA2      GLY  18  -8.956  -7.382   0.797
  118    HA3  GLY  18           HA1      GLY  18  -9.775  -8.140  -0.555
  119    H    ARG  19           HN       ARG  19  -9.973  -4.710  -0.365
  120    HA   ARG  19           HA       ARG  19  -8.086  -4.544  -2.603
  121    HB2  ARG  19           HB2      ARG  19 -10.205  -2.595  -1.694
  122    HB3  ARG  19           HB1      ARG  19  -9.115  -2.326  -3.043
  123    HG2  ARG  19           HG2      ARG  19 -10.036  -4.393  -4.093
  124    HG3  ARG  19           HG1      ARG  19 -11.258  -4.410  -2.815
  125    HD2  ARG  19           HD2      ARG  19 -10.754  -2.177  -4.779
  126    HD3  ARG  19           HD1      ARG  19 -12.099  -3.309  -4.819
  127    HE   ARG  19           HE       ARG  19 -12.399  -2.229  -2.395
  128   HH11  ARG  19          HH11      ARG  19 -11.752  -0.703  -5.490
  129   HH12  ARG  19          HH12      ARG  19 -12.626   0.746  -5.094
  130   HH21  ARG  19          HH21      ARG  19 -13.498  -0.338  -1.852
  131   HH22  ARG  19          HH22      ARG  19 -13.618   0.969  -2.998
  132    H    SER  20           HN       SER  20  -6.254  -3.408  -2.473
  133    HA   SER  20           HA       SER  20  -5.364  -2.708   0.181
  134    HB2  SER  20           HB2      SER  20  -3.800  -2.346  -2.368
  135    HB3  SER  20           HB1      SER  20  -3.182  -2.585  -0.739
  136    HG   SER  20           HG       SER  20  -3.072  -4.608  -1.357
  137    H    TYR  21           HN       TYR  21  -5.918  -0.731   0.971
  138    HA   TYR  21           HA       TYR  21  -5.060   1.466  -0.769
  139    HB2  TYR  21           HB2      TYR  21  -6.367   3.018   0.501
  140    HB3  TYR  21           HB1      TYR  21  -7.412   1.747  -0.116
  141    HD1  TYR  21           HD2      TYR  21  -8.243  -0.031   1.490
  142    HD2  TYR  21           HD1      TYR  21  -6.215   3.469   2.809
  143    HE1  TYR  21           HE2      TYR  21  -9.114  -0.385   3.762
  144    HE2  TYR  21           HE1      TYR  21  -7.086   3.127   5.081
  145    HH   TYR  21           HH       TYR  21  -8.638   0.218   6.041
  146    H    TYR  22           HN       TYR  22  -3.215   2.183  -0.330
  147    HA   TYR  22           HA       TYR  22  -1.947   1.555   2.225
  148    HB2  TYR  22           HB2      TYR  22   0.124   2.447   1.099
  149    HB3  TYR  22           HB1      TYR  22  -0.609   1.089   0.235
  150    HD1  TYR  22           HD2      TYR  22  -0.075   4.733   0.206
  151    HD2  TYR  22           HD1      TYR  22  -1.636   1.376  -1.853
  152    HE1  TYR  22           HE2      TYR  22  -0.396   6.124  -1.793
  153    HE2  TYR  22           HE1      TYR  22  -1.989   2.718  -3.822
  154    HH   TYR  22           HH       TYR  22  -0.686   5.902  -4.160
  155    H    VAL  23           HN       VAL  23  -1.087   3.208   3.535
  156    HA   VAL  23           HA       VAL  23  -2.262   5.827   3.041
  157    HB   VAL  23           HB       VAL  23  -1.931   6.386   5.268
  158   HG11  VAL  23          HG11      VAL  23  -2.643   3.462   5.223
  159   HG12  VAL  23          HG12      VAL  23  -3.745   4.817   4.987
  160   HG13  VAL  23          HG13      VAL  23  -2.975   4.570   6.554
  161   HG21  VAL  23          HG21      VAL  23   0.369   5.724   5.545
  162   HG22  VAL  23          HG22      VAL  23  -0.078   4.019   5.513
  163   HG23  VAL  23          HG23      VAL  23  -0.586   5.039   6.861
  164    H    ASP  24           HN       ASP  24  -1.036   7.663   2.985
  165    HA   ASP  24           HA       ASP  24   1.307   7.743   1.635
  166    HB2  ASP  24           HB2      ASP  24   1.544  10.048   2.917
  167    HB3  ASP  24           HB1      ASP  24   0.326   9.777   1.675
  168    H    HIS  25           HN       HIS  25   2.485   6.005   2.698
  169    HA   HIS  25           HA       HIS  25   4.075   6.809   4.966
  170    HB2  HIS  25           HB2      HIS  25   3.230   4.451   4.383
  171    HB3  HIS  25           HB1      HIS  25   4.528   4.419   3.199
  172    HD1  HIS  25           HD1      HIS  25   3.897   4.360   6.900
  173    HD2  HIS  25           HD2      HIS  25   7.022   4.001   4.211
  174    HE1  HIS  25           HE1      HIS  25   5.874   3.633   8.267
  175    HE2  HIS  25           HE2      HIS  25   7.811   3.698   6.654
  176    H    ASN  26           HN       ASN  26   4.529   6.306   1.451
  177    HA   ASN  26           HA       ASN  26   7.322   7.105   1.721
  178    HB2  ASN  26           HB2      ASN  26   6.949   5.100   0.454
  179    HB3  ASN  26           HB1      ASN  26   5.842   5.912  -0.642
  180   HD21  ASN  26          HD21      ASN  26   8.967   6.963   0.658
  181   HD22  ASN  26          HD22      ASN  26   9.746   7.121  -0.884
  182    H    SER  27           HN       SER  27   4.631   8.032  -0.494
  183    HA   SER  27           HA       SER  27   6.194  10.461  -1.089
  184    HB2  SER  27           HB2      SER  27   4.176   9.142  -2.907
  185    HB3  SER  27           HB1      SER  27   5.301  10.438  -3.322
  186    HG   SER  27           HG       SER  27   6.997   8.858  -2.758
  187    H    LYS  28           HN       LYS  28   3.674   9.551   0.645
  188    HA   LYS  28           HA       LYS  28   2.110  10.663   1.770
  189    HB2  LYS  28           HB2      LYS  28   3.562  12.945   0.547
  190    HB3  LYS  28           HB1      LYS  28   2.011  13.260   1.318
  191    HG2  LYS  28           HG2      LYS  28   3.795  13.613   2.899
  192    HG3  LYS  28           HG1      LYS  28   2.850  12.206   3.383
  193    HD2  LYS  28           HD2      LYS  28   4.593  10.794   2.217
  194    HD3  LYS  28           HD1      LYS  28   5.568  12.261   2.092
  195    HE2  LYS  28           HE2      LYS  28   5.326  12.488   4.593
  196    HE3  LYS  28           HE1      LYS  28   4.630  10.868   4.592
  197    HZ1  LYS  28           HZ1      LYS  28   6.997  10.830   5.103
  198    HZ2  LYS  28           HZ2      LYS  28   7.349  11.582   3.620
  199    HZ3  LYS  28           HZ3      LYS  28   6.693  10.024   3.644
  200    H    THR  29           HN       THR  29   0.991   9.272  -0.041
  201    HA   THR  29           HA       THR  29  -1.449  10.832  -0.340
  202    HB   THR  29           HB       THR  29  -2.033   9.579  -2.444
  203    HG1  THR  29           HG1      THR  29  -0.094   8.095  -2.002
  204   HG21  THR  29          HG21      THR  29  -1.351  11.895  -2.619
  205   HG22  THR  29          HG22      THR  29  -0.688  10.978  -3.971
  206   HG23  THR  29          HG23      THR  29   0.347  11.420  -2.615
  207    H    THR  30           HN       THR  30  -3.352   9.510  -0.023
  208    HA   THR  30           HA       THR  30  -2.783   6.714   0.733
  209    HB   THR  30           HB       THR  30  -4.910   8.571   1.818
  210    HG1  THR  30           HG1      THR  30  -2.855   8.711   2.835
  211   HG21  THR  30          HG21      THR  30  -4.568   5.618   2.322
  212   HG22  THR  30          HG22      THR  30  -5.904   6.372   1.451
  213   HG23  THR  30          HG23      THR  30  -5.686   6.685   3.173
  214    H    THR  31           HN       THR  31  -3.579   5.246  -0.628
  215    HA   THR  31           HA       THR  31  -5.904   5.768  -2.285
  216    HB   THR  31           HB       THR  31  -3.120   5.914  -3.471
  217    HG1  THR  31           HG1      THR  31  -4.831   7.747  -2.663
  218   HG21  THR  31          HG21      THR  31  -5.724   5.762  -5.001
  219   HG22  THR  31          HG22      THR  31  -4.492   4.493  -4.941
  220   HG23  THR  31          HG23      THR  31  -4.125   6.052  -5.694
  221    H    TRP  32           HN       TRP  32  -6.211   3.982  -3.941
  222    HA   TRP  32           HA       TRP  32  -5.670   1.389  -2.949
  223    HB2  TRP  32           HB2      TRP  32  -6.618   2.192  -5.707
  224    HB3  TRP  32           HB1      TRP  32  -6.782   0.602  -4.957
  225    HD1  TRP  32           HD1      TRP  32  -8.596   3.792  -5.357
  226    HE1  TRP  32           HE1      TRP  32 -10.640   3.895  -3.795
  227    HE3  TRP  32           HE3      TRP  32  -7.505  -0.186  -2.347
  228    HZ2  TRP  32           HZ2      TRP  32 -11.653   2.464  -1.588
  229    HZ3  TRP  32           HZ3      TRP  32  -9.061  -0.748  -0.527
  230    HH2  TRP  32           HH2      TRP  32 -11.087   0.550  -0.156
  231    H    SER  33           HN       SER  33  -4.773  -0.189  -5.042
  232    HA   SER  33           HA       SER  33  -2.347  -0.306  -3.748
  233    HB2  SER  33           HB2      SER  33  -3.546  -2.182  -4.645
  234    HB3  SER  33           HB1      SER  33  -3.252  -1.629  -6.285
  235    HG   SER  33           HG       SER  33  -1.492  -2.828  -4.464
  236    H    LYS  34           HN       LYS  34  -1.183   1.479  -3.941
  237    HA   LYS  34           HA       LYS  34   0.811   1.251  -6.059
  238    HB2  LYS  34           HB2      LYS  34   0.114   3.481  -4.197
  239    HB3  LYS  34           HB1      LYS  34   1.798   3.294  -4.664
  240    HG2  LYS  34           HG2      LYS  34   1.062   3.353  -7.043
  241    HG3  LYS  34           HG1      LYS  34  -0.561   3.760  -6.470
  242    HD2  LYS  34           HD2      LYS  34   0.429   5.726  -5.293
  243    HD3  LYS  34           HD1      LYS  34   1.971   5.358  -6.069
  244    HE2  LYS  34           HE2      LYS  34   0.872   7.067  -7.345
  245    HE3  LYS  34           HE1      LYS  34   0.829   5.568  -8.276
  246    HZ1  LYS  34           HZ1      LYS  34  -1.456   5.214  -7.507
  247    HZ2  LYS  34           HZ2      LYS  34  -1.311   6.671  -8.357
  248    HZ3  LYS  34           HZ3      LYS  34  -1.406   6.685  -6.660
  249    HA   PRO  35           HA       PRO  35   4.187  -0.575  -3.685
  250    HB2  PRO  35           HB2      PRO  35   4.929   2.255  -3.023
  251    HB3  PRO  35           HB1      PRO  35   5.997   0.881  -3.371
  252    HG2  PRO  35           HG2      PRO  35   5.440   2.491  -5.337
  253    HG3  PRO  35           HG1      PRO  35   5.258   0.752  -5.611
  254    HD2  PRO  35           HD2      PRO  35   3.156   2.820  -5.162
  255    HD3  PRO  35           HD1      PRO  35   3.111   1.407  -6.226
  256    H    THR  36           HN       THR  36   5.530  -0.257  -1.490
  257    HA   THR  36           HA       THR  36   4.208   0.247   0.919
  258    HB   THR  36           HB       THR  36   3.767  -2.499  -0.182
  259    HG1  THR  36           HG1      THR  36   2.152  -0.735  -0.317
  260   HG21  THR  36          HG21      THR  36   3.590  -1.675   2.723
  261   HG22  THR  36          HG22      THR  36   4.751  -2.808   2.035
  262   HG23  THR  36          HG23      THR  36   3.035  -3.214   2.063
  263    H    MET  37           HN       MET  37   5.919  -2.710  -0.158
  264    HA   MET  37           HA       MET  37   8.368  -1.961   1.139
  265    HB2  MET  37           HB2      MET  37   7.064  -2.548   3.126
  266    HB3  MET  37           HB1      MET  37   6.662  -4.108   2.421
  267    HG2  MET  37           HG2      MET  37   8.429  -4.261   4.117
  268    HG3  MET  37           HG1      MET  37   8.961  -4.808   2.528
  269    HE1  MET  37           HE1      MET  37  10.939  -4.118   4.949
  270    HE2  MET  37           HE2      MET  37  12.202  -3.227   4.102
  271    HE3  MET  37           HE3      MET  37  11.503  -4.672   3.373
  272    H    GLN  38           HN       GLN  38  10.067  -3.384   0.660
  273    HA   GLN  38           HA       GLN  38   9.504  -5.061  -1.655
  274    HB2  GLN  38           HB2      GLN  38  11.365  -3.296  -1.560
  275    HB3  GLN  38           HB1      GLN  38  12.226  -4.417  -0.515
  276    HG2  GLN  38           HG2      GLN  38  13.037  -4.674  -2.745
  277    HG3  GLN  38           HG1      GLN  38  12.111  -6.113  -2.314
  278    H    ASP  39           HN       ASP  39   8.445  -6.682  -0.393
  279    HA   ASP  39           HA       ASP  39   8.234  -8.604   0.775
  280    HB2  ASP  39           HB2      ASP  39   9.677  -9.434  -1.049
  281    HB3  ASP  39           HB1      ASP  39  11.100  -9.045  -0.085
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   2.623 -12.873   1.037
    2    H2   GLY   1           HT2      GLY   1   3.575 -12.418   2.361
    3    H3   GLY   1           HT3      GLY   1   3.682 -13.991   1.749
    4    HA2  GLY   1           HA1      GLY   1   4.520 -13.080  -0.372
    5    HA3  GLY   1           HA2      GLY   1   4.530 -11.495   0.388
    6    H    SER   2           HN       SER   2   6.869 -11.846  -0.377
    7    HA   SER   2           HA       SER   2   8.594 -13.670   0.827
    8    HB2  SER   2           HB2      SER   2   9.292 -10.856  -0.042
    9    HB3  SER   2           HB1      SER   2  10.380 -12.241   0.058
   10    HG   SER   2           HG       SER   2   9.641 -12.975  -1.791
   11    H    SER   3           HN       SER   3   7.969 -10.285   1.776
   12    HA   SER   3           HA       SER   3   9.547 -10.672   4.196
   13    HB2  SER   3           HB2      SER   3   9.849  -8.615   2.814
   14    HB3  SER   3           HB1      SER   3   8.189  -8.159   3.179
   15    HG   SER   3           HG       SER   3  10.272  -7.533   4.566
   16    H    SER   4           HN       SER   4   8.696 -10.018   6.277
   17    HA   SER   4           HA       SER   4   5.862 -10.707   6.539
   18    HB2  SER   4           HB2      SER   4   6.534 -10.905   9.014
   19    HB3  SER   4           HB1      SER   4   7.187 -12.112   7.904
   20    HG   SER   4           HG       SER   4   9.030 -11.501   8.730
   21    H    GLY   5           HN       GLY   5   7.612  -8.031   6.132
   22    HA2  GLY   5           HA2      GLY   5   5.749  -6.395   7.741
   23    HA3  GLY   5           HA1      GLY   5   7.446  -5.956   7.563
   24    H    LEU   6           HN       LEU   6   5.653  -4.071   6.777
   25    HA   LEU   6           HA       LEU   6   5.197  -4.489   3.925
   26    HB2  LEU   6           HB2      LEU   6   4.086  -2.491   5.889
   27    HB3  LEU   6           HB1      LEU   6   3.960  -2.230   4.159
   28    HG   LEU   6           HG       LEU   6   1.915  -3.179   4.799
   29   HD11  LEU   6          HD11      LEU   6   2.752  -4.186   2.792
   30   HD12  LEU   6          HD12      LEU   6   1.910  -5.412   3.739
   31   HD13  LEU   6          HD13      LEU   6   3.673  -5.370   3.713
   32   HD21  LEU   6          HD21      LEU   6   3.453  -5.297   6.307
   33   HD22  LEU   6          HD22      LEU   6   1.700  -5.202   6.143
   34   HD23  LEU   6          HD23      LEU   6   2.569  -3.948   7.027
   35    HA   PRO   7           HA       PRO   7   8.704  -2.009   2.601
   36    HB2  PRO   7           HB2      PRO   7   8.041  -1.865   0.042
   37    HB3  PRO   7           HB1      PRO   7   8.415  -3.423   0.812
   38    HG2  PRO   7           HG2      PRO   7   5.708  -2.118   0.532
   39    HG3  PRO   7           HG1      PRO   7   6.210  -3.677  -0.185
   40    HD2  PRO   7           HD2      PRO   7   4.927  -3.643   2.096
   41    HD3  PRO   7           HD1      PRO   7   6.376  -4.666   1.952
   42    HA   PRO   8           HA       PRO   8   8.315   2.379   2.387
   43    HB2  PRO   8           HB2      PRO   8   9.044   1.944  -0.489
   44    HB3  PRO   8           HB1      PRO   8   9.617   3.187   0.631
   45    HG2  PRO   8           HG2      PRO   8  11.046   0.956   0.134
   46    HG3  PRO   8           HG1      PRO   8  11.042   1.742   1.720
   47    HD2  PRO   8           HD2      PRO   8   9.915  -0.840   0.942
   48    HD3  PRO   8           HD1      PRO   8  10.185  -0.180   2.567
   49    H    GLY   9           HN       GLY   9   6.416   3.341   2.433
   50    HA2  GLY   9           HA2      GLY   9   4.442   4.281   1.576
   51    HA3  GLY   9           HA1      GLY   9   4.610   3.300   0.144
   52    H    TRP  10           HN       TRP  10   5.255   1.682   2.835
   53    HA   TRP  10           HA       TRP  10   3.232  -0.184   2.922
   54    HB2  TRP  10           HB2      TRP  10   4.342  -0.165   5.407
   55    HB3  TRP  10           HB1      TRP  10   5.093  -0.926   3.980
   56    HD1  TRP  10           HD1      TRP  10   7.621  -0.429   4.503
   57    HE1  TRP  10           HE1      TRP  10   9.011   1.720   4.533
   58    HE3  TRP  10           HE3      TRP  10   3.839   2.828   4.797
   59    HZ2  TRP  10           HZ2      TRP  10   8.472   4.588   4.702
   60    HZ3  TRP  10           HZ3      TRP  10   4.243   5.220   4.869
   61    HH2  TRP  10           HH2      TRP  10   6.544   6.111   4.851
   62    H    GLU  11           HN       GLU  11   1.127   1.387   3.118
   63    HA   GLU  11           HA       GLU  11   0.636   0.273   5.789
   64    HB2  GLU  11           HB2      GLU  11   0.437   2.862   5.734
   65    HB3  GLU  11           HB1      GLU  11  -1.018   2.571   4.788
   66    HG2  GLU  11           HG2      GLU  11  -1.983   1.289   6.596
   67    HG3  GLU  11           HG1      GLU  11  -0.507   1.480   7.539
   68    H    GLU  12           HN       GLU  12  -0.364  -1.570   5.286
   69    HA   GLU  12           HA       GLU  12  -1.854  -1.680   2.786
   70    HB2  GLU  12           HB2      GLU  12  -0.190  -3.423   3.196
   71    HB3  GLU  12           HB1      GLU  12  -1.022  -3.892   4.671
   72    HG2  GLU  12           HG2      GLU  12  -2.942  -4.628   3.391
   73    HG3  GLU  12           HG1      GLU  12  -2.190  -4.085   1.888
   74    H    LYS  13           HN       LYS  13  -3.750  -0.881   3.012
   75    HA   LYS  13           HA       LYS  13  -5.663  -2.142   4.816
   76    HB2  LYS  13           HB2      LYS  13  -5.636   0.867   4.527
   77    HB3  LYS  13           HB1      LYS  13  -6.461  -0.108   5.730
   78    HG2  LYS  13           HG2      LYS  13  -3.471   0.201   5.595
   79    HG3  LYS  13           HG1      LYS  13  -4.521   1.212   6.584
   80    HD2  LYS  13           HD2      LYS  13  -5.135  -0.586   7.963
   81    HD3  LYS  13           HD1      LYS  13  -4.523  -1.784   6.821
   82    HE2  LYS  13           HE2      LYS  13  -2.243  -1.138   7.275
   83    HE3  LYS  13           HE1      LYS  13  -2.790   0.208   8.280
   84    HZ1  LYS  13           HZ1      LYS  13  -2.173  -1.521   9.738
   85    HZ2  LYS  13           HZ2      LYS  13  -3.026  -2.692   8.857
   86    HZ3  LYS  13           HZ3      LYS  13  -3.873  -1.516   9.731
   87    H    GLN  14           HN       GLN  14  -7.785  -2.005   3.927
   88    HA   GLN  14           HA       GLN  14  -8.397  -0.345   1.742
   89    HB2  GLN  14           HB2      GLN  14  -7.451  -1.680   0.143
   90    HB3  GLN  14           HB1      GLN  14  -7.571  -3.167   1.073
   91    HG2  GLN  14           HG2      GLN  14  -8.995  -3.471  -0.745
   92    HG3  GLN  14           HG1      GLN  14 -10.085  -3.043   0.565
   93   HE21  GLN  14          HE21      GLN  14  -9.178  -0.168   0.292
   94   HE22  GLN  14          HE22      GLN  14 -10.064   0.423  -1.069
   95    H    ASP  15           HN       ASP  15 -10.623  -0.910   0.921
   96    HA   ASP  15           HA       ASP  15 -12.570  -0.876   2.839
   97    HB2  ASP  15           HB2      ASP  15 -12.851  -0.207   0.513
   98    HB3  ASP  15           HB1      ASP  15 -12.615  -1.868  -0.026
   99    H    ASP  16           HN       ASP  16 -14.233  -2.572   3.293
  100    HA   ASP  16           HA       ASP  16 -12.785  -4.744   4.462
  101    HB2  ASP  16           HB2      ASP  16 -14.722  -3.420   5.487
  102    HB3  ASP  16           HB1      ASP  16 -15.782  -4.416   4.499
  103    H    ARG  17           HN       ARG  17 -13.942  -4.464   1.419
  104    HA   ARG  17           HA       ARG  17 -14.963  -7.177   1.132
  105    HB2  ARG  17           HB2      ARG  17 -14.424  -5.059  -0.960
  106    HB3  ARG  17           HB1      ARG  17 -15.342  -6.542  -1.192
  107    HG2  ARG  17           HG2      ARG  17 -17.065  -5.772   0.291
  108    HG3  ARG  17           HG1      ARG  17 -16.117  -4.349   0.723
  109    HD2  ARG  17           HD2      ARG  17 -17.715  -3.603  -0.841
  110    HD3  ARG  17           HD1      ARG  17 -16.189  -3.713  -1.721
  111    HE   ARG  17           HE       ARG  17 -17.509  -6.145  -2.048
  112   HH11  ARG  17          HH11      ARG  17 -18.008  -2.780  -2.907
  113   HH12  ARG  17          HH12      ARG  17 -18.948  -3.154  -4.314
  114   HH21  ARG  17          HH21      ARG  17 -18.759  -6.621  -3.894
  115   HH22  ARG  17          HH22      ARG  17 -19.409  -5.327  -4.860
  116    H    GLY  18           HN       GLY  18 -12.143  -6.697   1.943
  117    HA2  GLY  18           HA2      GLY  18 -10.445  -8.391   1.397
  118    HA3  GLY  18           HA1      GLY  18 -10.801  -8.086  -0.300
  119    H    ARG  19           HN       ARG  19  -9.305  -6.772   2.598
  120    HA   ARG  19           HA       ARG  19  -8.661  -4.287   1.329
  121    HB2  ARG  19           HB2      ARG  19  -7.423  -5.069   3.905
  122    HB3  ARG  19           HB1      ARG  19  -8.074  -3.523   3.356
  123    HG2  ARG  19           HG2      ARG  19 -10.320  -4.289   3.688
  124    HG3  ARG  19           HG1      ARG  19  -9.749  -5.912   4.106
  125    HD2  ARG  19           HD2      ARG  19  -8.602  -5.048   6.053
  126    HD3  ARG  19           HD1      ARG  19  -9.045  -3.401   5.616
  127    HE   ARG  19           HE       ARG  19 -11.362  -4.991   5.918
  128   HH11  ARG  19          HH11      ARG  19  -8.819  -3.491   7.802
  129   HH12  ARG  19          HH12      ARG  19  -9.822  -3.245   9.196
  130   HH21  ARG  19          HH21      ARG  19 -12.679  -4.702   7.756
  131   HH22  ARG  19          HH22      ARG  19 -12.018  -3.911   9.160
  132    H    SER  20           HN       SER  20  -7.118  -4.592  -0.294
  133    HA   SER  20           HA       SER  20  -4.506  -4.544   1.012
  134    HB2  SER  20           HB2      SER  20  -5.206  -5.932  -1.527
  135    HB3  SER  20           HB1      SER  20  -3.550  -5.570  -1.064
  136    HG   SER  20           HG       SER  20  -5.059  -6.819   0.875
  137    H    TYR  21           HN       TYR  21  -4.354  -2.258   0.907
  138    HA   TYR  21           HA       TYR  21  -3.151  -1.484  -1.555
  139    HB2  TYR  21           HB2      TYR  21  -4.517   0.214  -2.328
  140    HB3  TYR  21           HB1      TYR  21  -5.692  -0.948  -1.777
  141    HD1  TYR  21           HD2      TYR  21  -3.858   2.041  -0.418
  142    HD2  TYR  21           HD1      TYR  21  -7.518  -0.144  -0.604
  143    HE1  TYR  21           HE2      TYR  21  -4.956   3.765   0.941
  144    HE2  TYR  21           HE1      TYR  21  -8.615   1.594   0.742
  145    HH   TYR  21           HH       TYR  21  -7.159   4.619   1.395
  146    H    TYR  22           HN       TYR  22  -2.164   0.845  -1.210
  147    HA   TYR  22           HA       TYR  22  -1.402   0.812   1.624
  148    HB2  TYR  22           HB2      TYR  22   0.515   1.266  -0.660
  149    HB3  TYR  22           HB1      TYR  22   0.932   1.226   1.075
  150    HD1  TYR  22           HD1      TYR  22  -0.518  -0.836  -1.693
  151    HD2  TYR  22           HD2      TYR  22   1.479  -0.850   2.066
  152    HE1  TYR  22           HE1      TYR  22  -0.228  -3.265  -1.869
  153    HE2  TYR  22           HE2      TYR  22   1.780  -3.288   1.894
  154    HH   TYR  22           HH       TYR  22   0.539  -5.219   0.660
  155    H    VAL  23           HN       VAL  23  -1.212   2.591   2.649
  156    HA   VAL  23           HA       VAL  23  -1.227   5.140   1.233
  157    HB   VAL  23           HB       VAL  23  -1.185   4.594   4.217
  158   HG11  VAL  23          HG11      VAL  23  -0.247   6.761   3.638
  159   HG12  VAL  23          HG12      VAL  23  -1.806   6.950   4.441
  160   HG13  VAL  23          HG13      VAL  23  -1.685   7.146   2.693
  161   HG21  VAL  23          HG21      VAL  23  -3.542   5.192   4.229
  162   HG22  VAL  23          HG22      VAL  23  -3.259   3.791   3.194
  163   HG23  VAL  23          HG23      VAL  23  -3.518   5.383   2.478
  164    H    ASP  24           HN       ASP  24   0.748   5.682   0.493
  165    HA   ASP  24           HA       ASP  24   3.125   4.841   1.846
  166    HB2  ASP  24           HB2      ASP  24   2.846   6.817  -0.424
  167    HB3  ASP  24           HB1      ASP  24   4.320   6.054   0.156
  168    H    HIS  25           HN       HIS  25   3.289   5.816   3.775
  169    HA   HIS  25           HA       HIS  25   2.864   8.553   4.311
  170    HB2  HIS  25           HB2      HIS  25   4.664   6.477   5.561
  171    HB3  HIS  25           HB1      HIS  25   4.458   8.099   6.241
  172    HD1  HIS  25           HD1      HIS  25   2.801   8.130   8.087
  173    HD2  HIS  25           HD2      HIS  25   1.936   5.184   5.271
  174    HE1  HIS  25           HE1      HIS  25   0.722   6.983   8.918
  175    HE2  HIS  25           HE2      HIS  25   0.255   5.146   7.253
  176    H    ASN  26           HN       ASN  26   5.269   6.813   2.651
  177    HA   ASN  26           HA       ASN  26   7.463   8.559   2.739
  178    HB2  ASN  26           HB2      ASN  26   7.547   6.240   1.854
  179    HB3  ASN  26           HB1      ASN  26   6.541   6.737   0.497
  180   HD21  ASN  26          HD21      ASN  26   7.420   8.006  -1.135
  181   HD22  ASN  26          HD22      ASN  26   9.130   8.212  -1.305
  182    H    SER  27           HN       SER  27   4.780   8.278   0.422
  183    HA   SER  27           HA       SER  27   5.669  10.776  -0.838
  184    HB2  SER  27           HB2      SER  27   3.812   8.671  -1.970
  185    HB3  SER  27           HB1      SER  27   4.565  10.008  -2.840
  186    HG   SER  27           HG       SER  27   5.649   7.985  -3.127
  187    H    LYS  28           HN       LYS  28   3.709  10.037   1.513
  188    HA   LYS  28           HA       LYS  28   1.800  10.823   2.455
  189    HB2  LYS  28           HB2      LYS  28   2.088  13.127   0.517
  190    HB3  LYS  28           HB1      LYS  28   1.151  13.114   2.002
  191    HG2  LYS  28           HG2      LYS  28   2.987  14.216   2.748
  192    HG3  LYS  28           HG1      LYS  28   3.519  12.563   3.059
  193    HD2  LYS  28           HD2      LYS  28   5.253  13.941   1.954
  194    HD3  LYS  28           HD1      LYS  28   4.781  12.539   0.992
  195    HE2  LYS  28           HE2      LYS  28   3.300  13.955  -0.337
  196    HE3  LYS  28           HE1      LYS  28   3.778  15.357   0.617
  197    HZ1  LYS  28           HZ1      LYS  28   5.996  15.181  -0.205
  198    HZ2  LYS  28           HZ2      LYS  28   4.940  15.160  -1.528
  199    HZ3  LYS  28           HZ3      LYS  28   5.655  13.716  -0.999
  200    H    THR  29           HN       THR  29   1.539   9.035   0.206
  201    HA   THR  29           HA       THR  29  -0.839  10.098  -1.155
  202    HB   THR  29           HB       THR  29   1.082   9.632  -2.643
  203    HG1  THR  29           HG1      THR  29  -0.123   8.590  -4.182
  204   HG21  THR  29          HG21      THR  29   2.046   7.761  -1.365
  205   HG22  THR  29          HG22      THR  29   1.809   7.360  -3.066
  206   HG23  THR  29          HG23      THR  29   0.688   6.748  -1.852
  207    H    THR  30           HN       THR  30  -2.671   8.874  -1.332
  208    HA   THR  30           HA       THR  30  -2.721   6.284   0.087
  209    HB   THR  30           HB       THR  30  -5.010   8.268  -0.138
  210    HG1  THR  30           HG1      THR  30  -2.984   8.568   1.363
  211   HG21  THR  30          HG21      THR  30  -4.712   5.706   1.428
  212   HG22  THR  30          HG22      THR  30  -5.783   5.980   0.055
  213   HG23  THR  30          HG23      THR  30  -6.063   6.830   1.574
  214    H    THR  31           HN       THR  31  -2.678   4.828  -1.612
  215    HA   THR  31           HA       THR  31  -4.685   5.135  -3.708
  216    HB   THR  31           HB       THR  31  -2.907   6.455  -4.637
  217    HG1  THR  31           HG1      THR  31  -2.208   4.347  -6.167
  218   HG21  THR  31          HG21      THR  31  -0.636   5.573  -4.977
  219   HG22  THR  31          HG22      THR  31  -1.083   4.109  -4.098
  220   HG23  THR  31          HG23      THR  31  -1.057   5.665  -3.267
  221    H    TRP  32           HN       TRP  32  -5.013   3.228  -4.976
  222    HA   TRP  32           HA       TRP  32  -4.028   0.790  -3.735
  223    HB2  TRP  32           HB2      TRP  32  -6.393   1.047  -4.569
  224    HB3  TRP  32           HB1      TRP  32  -5.762   1.181  -6.204
  225    HD1  TRP  32           HD1      TRP  32  -4.509  -1.118  -7.162
  226    HE1  TRP  32           HE1      TRP  32  -5.121  -3.579  -6.732
  227    HE3  TRP  32           HE3      TRP  32  -7.325  -0.521  -2.930
  228    HZ2  TRP  32           HZ2      TRP  32  -6.599  -5.055  -4.834
  229    HZ3  TRP  32           HZ3      TRP  32  -8.293  -2.530  -1.843
  230    HH2  TRP  32           HH2      TRP  32  -7.955  -4.738  -2.803
  231    H    SER  33           HN       SER  33  -1.859   1.092  -4.137
  232    HA   SER  33           HA       SER  33  -1.004   0.212  -6.771
  233    HB2  SER  33           HB2      SER  33   0.249   2.549  -5.299
  234    HB3  SER  33           HB1      SER  33   0.852   1.833  -6.797
  235    HG   SER  33           HG       SER  33  -1.731   2.389  -7.124
  236    H    LYS  34           HN       LYS  34   1.008  -1.004  -6.679
  237    HA   LYS  34           HA       LYS  34   1.595  -2.065  -4.072
  238    HB2  LYS  34           HB2      LYS  34   2.101  -2.906  -6.697
  239    HB3  LYS  34           HB1      LYS  34   3.686  -2.575  -6.009
  240    HG2  LYS  34           HG2      LYS  34   3.007  -4.909  -5.682
  241    HG3  LYS  34           HG1      LYS  34   3.225  -4.060  -4.145
  242    HD2  LYS  34           HD2      LYS  34   0.814  -3.742  -3.959
  243    HD3  LYS  34           HD1      LYS  34   0.568  -4.516  -5.522
  244    HE2  LYS  34           HE2      LYS  34   0.050  -6.078  -3.769
  245    HE3  LYS  34           HE1      LYS  34   1.513  -6.597  -4.602
  246    HZ1  LYS  34           HZ1      LYS  34   1.603  -6.770  -2.142
  247    HZ2  LYS  34           HZ2      LYS  34   1.529  -5.082  -2.048
  248    HZ3  LYS  34           HZ3      LYS  34   2.846  -5.834  -2.812
  249    HA   PRO  35           HA       PRO  35   3.943   1.284  -2.623
  250    HB2  PRO  35           HB2      PRO  35   5.456  -0.075  -0.777
  251    HB3  PRO  35           HB1      PRO  35   3.773   0.396  -0.528
  252    HG2  PRO  35           HG2      PRO  35   4.904  -2.232  -1.403
  253    HG3  PRO  35           HG1      PRO  35   3.611  -1.902  -0.236
  254    HD2  PRO  35           HD2      PRO  35   3.059  -2.701  -2.717
  255    HD3  PRO  35           HD1      PRO  35   2.048  -1.491  -1.898
  256    H    THR  36           HN       THR  36   6.095   2.129  -2.406
  257    HA   THR  36           HA       THR  36   8.271   2.461  -2.931
  258    HB   THR  36           HB       THR  36   8.213  -0.284  -2.439
  259    HG1  THR  36           HG1      THR  36  10.265   1.632  -2.798
  260   HG21  THR  36          HG21      THR  36   9.706   0.244  -5.011
  261   HG22  THR  36          HG22      THR  36   8.301  -0.805  -4.813
  262   HG23  THR  36          HG23      THR  36   9.832  -1.222  -4.042
  263    H    MET  37           HN       MET  37   6.126   0.990  -5.177
  264    HA   MET  37           HA       MET  37   7.735   1.139  -7.496
  265    HB2  MET  37           HB2      MET  37   5.778  -0.317  -7.368
  266    HB3  MET  37           HB1      MET  37   4.723   1.090  -7.314
  267    HG2  MET  37           HG2      MET  37   4.776   0.121  -9.549
  268    HG3  MET  37           HG1      MET  37   5.458   1.745  -9.544
  269    HE1  MET  37           HE1      MET  37   5.933   0.046 -12.033
  270    HE2  MET  37           HE2      MET  37   7.676   0.180 -12.279
  271    HE3  MET  37           HE3      MET  37   6.743   1.592 -11.785
  272    H    GLN  38           HN       GLN  38   4.796   3.189  -6.990
  273    HA   GLN  38           HA       GLN  38   6.211   5.345  -8.349
  274    HB2  GLN  38           HB2      GLN  38   4.556   5.455 -10.165
  275    HB3  GLN  38           HB1      GLN  38   5.437   3.931 -10.169
  276    HG2  GLN  38           HG2      GLN  38   3.491   2.929  -8.924
  277    HG3  GLN  38           HG1      GLN  38   2.617   4.424  -9.249
  278    H    ASP  39           HN       ASP  39   5.222   7.346  -8.271
  279    HA   ASP  39           HA       ASP  39   2.567   7.868  -7.592
  280    HB2  ASP  39           HB2      ASP  39   3.125   7.198  -5.316
  281    HB3  ASP  39           HB1      ASP  39   4.523   8.270  -5.314