*HEADER    DE NOVO PROTEIN                         21-MAY-11   2LDD              
*TITLE     SOLUTION STRUCTURE OF THE ESTROGEN RECEPTOR-BINDING STAPLED PEPTIDE   
*TITLE    2 SP6 (AC-EKHKILXRLLXDS-NH2)                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ESTROGEN RECEPTOR-BINDING STAPLED PEPTIDE SP6;             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.PHILLIPS, R.BAZIN, A.BENT, N.DAVIES, R.MOORE, A.PANNIFER,           
*AUTHOR   2 A.PICKFORD, S.PRIOR, C.READ, L.ROBERTS, M.SCHADE, A.SCOTT, D.BROWN,  
*AUTHOR   3 B.XU, S.IRVING                                                       
*REVDAT   2   15-NOV-23 2LDD    1                                                
*REVDAT   1   06-JUL-11 2LDD    0                                                


! File: p149c_intraresidue.txt
! Description: intraresidue NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
! Note: the force value following each entry describes the individual weighting applied
!       to that restraint. This value is a measure of the confidence of the NOE distance
!       restraint assignment. Individual force constants are not available in X-PLOR/CNS.
! Disclaimer: these restraints have not been tested in either X-PLOR or CNS.

assign (residue 1 and name HN) (residue 1 and name HA) 0.0 1.8 2.97698 ! force: 0.0706008
assign (residue 1 and name HN) (residue 1 and name HB1) 0.0 1.8 3.71954 ! force: 0.0316672
assign (residue 1 and name HA) (residue 1 and name HB1) 0.0 1.8 2.9387 ! force: 0.0211273
assign (residue 1 and name HN) (residue 1 and name HB2) 0.0 1.8 2.47533 ! force: 0.0371574
assign (residue 1 and name HA) (residue 1 and name HB2) 0.0 1.8 3.11912 ! force: 0.0329728
assign (residue 1 and name HN) (residue 1 and name HG#) 0.0 1.8 4.08511 ! force: 0.948956
assign (residue 1 and name HA) (residue 1 and name HG#) 0.0 1.8 2.96827 ! force: 0.0668379
assign (residue 1 and name HB1) (residue 1 and name HG#) 0.0 1.8 2.43962 ! force: 0.0324312
assign (residue 1 and name HB2) (residue 1 and name HG#) 0.0 1.8 2.47815 ! force: 0.042311
assign (residue 2 and name HN) (residue 2 and name HA) 0.0 1.8 2.96413 ! force: 0.174061
assign (residue 2 and name HN) (residue 2 and name HB#) 0.0 1.8 2.79483 ! force: 0.0706958
assign (residue 2 and name HA) (residue 2 and name HB#) 0.0 1.8 2.53963 ! force: 0.0179117
assign (residue 2 and name HN) (residue 2 and name HG1) 0.0 1.8 4.45791 ! force: 0.106238
assign (residue 2 and name HA) (residue 2 and name HG1) 0.0 1.8 3.95959 ! force: 0.06171
assign (residue 2 and name HB#) (residue 2 and name HG1) 0.0 1.8 2.45545 ! force: 0.0163601
assign (residue 2 and name HN) (residue 2 and name HG2) 0.0 1.8 4.63269 ! force: 0.0670833
assign (residue 2 and name HA) (residue 2 and name HG2) 0.0 1.8 3.83267 ! force: 0.0167825
assign (residue 2 and name HB#) (residue 2 and name HG2) 0.0 1.8 2.43375 ! force: 0.0106544
assign (residue 2 and name HG1) (residue 2 and name HG2) 0.0 1.8 1.86485 ! force: 0.01482
assign (residue 2 and name HN) (residue 2 and name HD#) 0.0 1.8 3.81638 ! force: 0.0819375
assign (residue 2 and name HA) (residue 2 and name HD#) 0.0 1.8 4.11588 ! force: 0.0348866
assign (residue 2 and name HB#) (residue 2 and name HD#) 0.0 1.8 2.23803 ! force: 0.0195595
assign (residue 2 and name HG1) (residue 2 and name HD#) 0.0 1.8 2.44238 ! force: 0.013473
assign (residue 2 and name HA) (residue 2 and name HE#) 0.0 1.8 4.85168 ! force: 0.124119
assign (residue 2 and name HG1) (residue 2 and name HE#) 0.0 1.8 2.76767 ! force: 0.0222571
assign (residue 2 and name HG2) (residue 2 and name HE#) 0.0 1.8 3.62295 ! force: 0.0135901
assign (residue 3 and name HN) (residue 3 and name HA) 0.0 1.8 2.98592 ! force: 0.108932
assign (residue 3 and name HN) (residue 3 and name HB1) 0.0 1.8 2.93885 ! force: 0.146611
assign (residue 3 and name HA) (residue 3 and name HB1) 0.0 1.8 3.13669 ! force: 0.0440635
assign (residue 3 and name HN) (residue 3 and name HB2) 0.0 1.8 3.7521 ! force: 0.271374
assign (residue 3 and name HA) (residue 3 and name HB2) 0.0 1.8 2.69646 ! force: 0.084049
assign (residue 3 and name HB1) (residue 3 and name HB2) 0.0 1.8 1.86628 ! force: 0.0570837
assign (residue 3 and name HN) (residue 3 and name HD2) 0.0 1.8 4.83108 ! force: 0.407409
assign (residue 3 and name HA) (residue 3 and name HD2) 0.0 1.8 4.55567 ! force: 0.322955
assign (residue 3 and name HB1) (residue 3 and name HD2) 0.0 1.8 3.91072 ! force: 0.193584
assign (residue 3 and name HB2) (residue 3 and name HD2) 0.0 1.8 3.89771 ! force: 0.315544
assign (residue 3 and name HD2) (residue 3 and name HE1) 0.0 1.8 4.34589 ! force: 0.157271
assign (residue 4 and name HN) (residue 4 and name HA) 0.0 1.8 2.95668 ! force: 0.161861
assign (residue 4 and name HN) (residue 4 and name HB#) 0.0 1.8 2.51606 ! force: 0.054708
assign (residue 4 and name HA) (residue 4 and name HB#) 0.0 1.8 2.51093 ! force: 0.0650025
assign (residue 4 and name HN) (residue 4 and name HG1) 0.0 1.8 2.74259 ! force: 0.0360371
assign (residue 4 and name HA) (residue 4 and name HG1) 0.0 1.8 3.24768 ! force: 0.0358119
assign (residue 4 and name HB#) (residue 4 and name HG1) 0.0 1.8 2.39558 ! force: 0.0152428
assign (residue 4 and name HN) (residue 4 and name HG2) 0.0 1.8 3.7183 ! force: 0.105288
assign (residue 4 and name HA) (residue 4 and name HG2) 0.0 1.8 2.57945 ! force: 0.0555461
assign (residue 4 and name HB#) (residue 4 and name HG2) 0.0 1.8 2.49211 ! force: 0.0337227
assign (residue 4 and name HG1) (residue 4 and name HG2) 0.0 1.8 1.86379 ! force: 0.0287407
assign (residue 4 and name HN) (residue 4 and name HD#) 0.0 1.8 4.01668 ! force: 0.035481
assign (residue 4 and name HA) (residue 4 and name HD#) 0.0 1.8 3.93667 ! force: 0.0447213
assign (residue 4 and name HB#) (residue 4 and name HD#) 0.0 1.8 2.22087 ! force: 0.0210079
assign (residue 4 and name HG2) (residue 4 and name HD#) 0.0 1.8 2.47062 ! force: 0.0210857
assign (residue 4 and name HN) (residue 4 and name HE#) 0.0 1.8 4.61139 ! force: 0.154471
assign (residue 4 and name HA) (residue 4 and name HE#) 0.0 1.8 4.53792 ! force: 0.226492
assign (residue 4 and name HB#) (residue 4 and name HE#) 0.0 1.8 3.63399 ! force: 0.0256821
assign (residue 4 and name HG1) (residue 4 and name HE#) 0.0 1.8 2.54899 ! force: 0.012939
assign (residue 4 and name HG2) (residue 4 and name HE#) 0.0 1.8 2.48605 ! force: 0.0387287
assign (residue 5 and name HN) (residue 5 and name HA) 0.0 1.8 2.93527 ! force: 0.0857114
assign (residue 5 and name HN) (residue 5 and name HB) 0.0 1.8 3.81851 ! force: 0.0670752
assign (residue 5 and name HA) (residue 5 and name HB) 0.0 1.8 3.13786 ! force: 0.0947073
assign (residue 5 and name HN) (residue 5 and name HG11) 0.0 1.8 3.7142 ! force: 0.303628
assign (residue 5 and name HA) (residue 5 and name HG11) 0.0 1.8 3.8765 ! force: 0.424795
assign (residue 5 and name HB) (residue 5 and name HG11) 0.0 1.8 3.10887 ! force: 0.133507
assign (residue 5 and name HN) (residue 5 and name HG12) 0.0 1.8 4.82037 ! force: 0.0310036
assign (residue 5 and name HA) (residue 5 and name HG12) 0.0 1.8 3.70437 ! force: 0.226706
assign (residue 5 and name HB) (residue 5 and name HG12) 0.0 1.8 2.6975 ! force: 0.0199555
assign (residue 5 and name HG11) (residue 5 and name HG12) 0.0 1.8 1.86428 ! force: 0.0504647
assign (residue 5 and name HN) (residue 5 and name HG2#) 0.0 1.8 3.95429 ! force: 0.0974572
assign (residue 5 and name HA) (residue 5 and name HG2#) 0.0 1.8 3.36008 ! force: 0.18157
assign (residue 5 and name HB) (residue 5 and name HG2#) 0.0 1.8 2.20554 ! force: 0.0246888
assign (residue 5 and name HG11) (residue 5 and name HG2#) 0.0 1.8 3.21706 ! force: 0.284982
assign (residue 5 and name HG12) (residue 5 and name HG2#) 0.0 1.8 2.31986 ! force: 0.0303684
assign (residue 5 and name HN) (residue 5 and name HD1#) 0.0 1.8 3.70788 ! force: 0.110253
assign (residue 5 and name HA) (residue 5 and name HD1#) 0.0 1.8 3.86868 ! force: 0.0930159
assign (residue 5 and name HB) (residue 5 and name HD1#) 0.0 1.8 2.37905 ! force: 0.0221545
assign (residue 5 and name HG11) (residue 5 and name HD1#) 0.0 1.8 2.23444 ! force: 0.0524453
assign (residue 5 and name HG12) (residue 5 and name HD1#) 0.0 1.8 2.22162 ! force: 0.0283885
assign (residue 6 and name HN) (residue 6 and name HA) 0.0 1.8 2.94582 ! force: 0.0873194
assign (residue 6 and name HN) (residue 6 and name HB1) 0.0 1.8 2.76711 ! force: 0.0364161
assign (residue 6 and name HA) (residue 6 and name HB1) 0.0 1.8 3.13163 ! force: 0.0130837
assign (residue 6 and name HN) (residue 6 and name HB2) 0.0 1.8 2.52895 ! force: 0.0353391
assign (residue 6 and name HA) (residue 6 and name HB2) 0.0 1.8 2.63714 ! force: 0.012768
assign (residue 6 and name HN) (residue 6 and name HG) 0.0 1.8 4.61689 ! force: 0.0546141
assign (residue 6 and name HA) (residue 6 and name HG) 0.0 1.8 2.84436 ! force: 0.0196829
assign (residue 6 and name HB1) (residue 6 and name HG) 0.0 1.8 2.72594 ! force: 0.0104315
assign (residue 6 and name HB2) (residue 6 and name HG) 0.0 1.8 3.0927 ! force: 0.0102174
assign (residue 6 and name HN) (residue 6 and name HD1#) 0.0 1.8 4.16672 ! force: 0.20508
assign (residue 6 and name HA) (residue 6 and name HD1#) 0.0 1.8 3.25315 ! force: 0.095251
assign (residue 6 and name HN) (residue 6 and name HD2#) 0.0 1.8 4.32556 ! force: 0.235522
assign (residue 6 and name HA) (residue 6 and name HD2#) 0.0 1.8 3.4467 ! force: 0.0969612
assign (residue 6 and name HG) (residue 6 and name HD2#) 0.0 1.8 2.18154 ! force: 0.0105123
assign (residue 7 and name HN) (residue 7 and name HB11) 0.0 1.8 2.59048 ! force: 0.0474376
assign (residue 7 and name HN) (residue 7 and name HB12) 0.0 1.8 3.01413 ! force: 0.121687
assign (residue 7 and name HN) (residue 7 and name HB2#) 0.0 1.8 2.98102 ! force: 0.0474965
assign (residue 7 and name HB11) (residue 7 and name HB2#) 0.0 1.8 3.33311 ! force: 0.0261052
assign (residue 7 and name HB12) (residue 7 and name HB2#) 0.0 1.8 2.53171 ! force: 0.0150489
assign (residue 7 and name HN) (residue 7 and name HG11) 0.0 1.8 4.16921 ! force: 0.647982
assign (residue 7 and name HB11) (residue 7 and name HG11) 0.0 1.8 2.8108 ! force: 0.0741502
assign (residue 7 and name HB12) (residue 7 and name HG11) 0.0 1.8 3.12067 ! force: 0.0543178
assign (residue 7 and name HB2#) (residue 7 and name HG11) 0.0 1.8 3.26197 ! force: 0.174649
assign (residue 7 and name HN) (residue 7 and name HG12) 0.0 1.8 4.62804 ! force: 0.041087
assign (residue 7 and name HN) (residue 7 and name HD11) 0.0 1.8 4.66957 ! force: 0.121473
assign (residue 7 and name HB2#) (residue 7 and name HD11) 0.0 1.8 3.33996 ! force: 0.037377
assign (residue 7 and name HG11) (residue 7 and name HD11) 0.0 1.8 3.09057 ! force: 0.133974
assign (residue 7 and name HG12) (residue 7 and name HD11) 0.0 1.8 3.0951 ! force: 0.0445553
assign (residue 7 and name HB2#) (residue 7 and name HD12) 0.0 1.8 4.61175 ! force: 0.0154541
assign (residue 7 and name HG11) (residue 7 and name HD12) 0.0 1.8 2.66831 ! force: 0.0564475
assign (residue 7 and name HB11) (residue 7 and name HE1) 0.0 1.8 4.68598 ! force: 0.0339482
assign (residue 7 and name HB12) (residue 7 and name HE1) 0.0 1.8 4.88544 ! force: 0.03921
assign (residue 7 and name HB2#) (residue 7 and name HE1) 0.0 1.8 4.50117 ! force: 0.10598
assign (residue 7 and name HG11) (residue 7 and name HE1) 0.0 1.8 4.07604 ! force: 0.726909
assign (residue 7 and name HG12) (residue 7 and name HE1) 0.0 1.8 3.58872 ! force: 0.0710475
assign (residue 7 and name HD11) (residue 7 and name HE1) 0.0 1.8 3.19756 ! force: 0.115473
assign (residue 7 and name HD12) (residue 7 and name HE1) 0.0 1.8 3.11682 ! force: 0.042446
assign (residue 8 and name HN) (residue 8 and name HA) 0.0 1.8 2.98527 ! force: 0.155897
assign (residue 8 and name HN) (residue 8 and name HB1) 0.0 1.8 3.72421 ! force: 0.0478895
assign (residue 8 and name HA) (residue 8 and name HB1) 0.0 1.8 2.64375 ! force: 0.0820896
assign (residue 8 and name HN) (residue 8 and name HB2) 0.0 1.8 2.67758 ! force: 0.0702916
assign (residue 8 and name HA) (residue 8 and name HB2) 0.0 1.8 3.11845 ! force: 0.123104
assign (residue 8 and name HN) (residue 8 and name HG1) 0.0 1.8 3.34393 ! force: 0.0440372
assign (residue 8 and name HA) (residue 8 and name HG1) 0.0 1.8 4.00763 ! force: 0.0838151
assign (residue 8 and name HN) (residue 8 and name HG2) 0.0 1.8 4.21358 ! force: 0.0613853
assign (residue 8 and name HA) (residue 8 and name HG2) 0.0 1.8 2.99606 ! force: 0.12372
assign (residue 8 and name HG1) (residue 8 and name HG2) 0.0 1.8 1.86237 ! force: 0.0188697
assign (residue 8 and name HN) (residue 8 and name HD#) 0.0 1.8 4.17951 ! force: 0.24037
assign (residue 8 and name HA) (residue 8 and name HD#) 0.0 1.8 3.86731 ! force: 0.423991
assign (residue 8 and name HB1) (residue 8 and name HD#) 0.0 1.8 2.48434 ! force: 0.0157894
assign (residue 8 and name HB2) (residue 8 and name HD#) 0.0 1.8 3.10099 ! force: 0.0311177
assign (residue 8 and name HG1) (residue 8 and name HD#) 0.0 1.8 2.45415 ! force: 0.0113716
assign (residue 8 and name HG2) (residue 8 and name HD#) 0.0 1.8 2.45958 ! force: 0.0162047
assign (residue 8 and name HB1) (residue 8 and name HE) 0.0 1.8 4.51149 ! force: 0.155653
assign (residue 8 and name HB2) (residue 8 and name HE) 0.0 1.8 4.50278 ! force: 0.203205
assign (residue 8 and name HG1) (residue 8 and name HE) 0.0 1.8 3.15186 ! force: 0.0436949
assign (residue 8 and name HG2) (residue 8 and name HE) 0.0 1.8 3.59342 ! force: 0.0561811
assign (residue 8 and name HD#) (residue 8 and name HE) 0.0 1.8 2.60017 ! force: 0.088309
assign (residue 8 and name HB1) (residue 8 and name HH1#) 0.0 1.8 4.26824 ! force: 0.0356867
assign (residue 8 and name HB2) (residue 8 and name HH1#) 0.0 1.8 4.85052 ! force: 0.0584039
assign (residue 8 and name HG1) (residue 8 and name HH1#) 0.0 1.8 4.57144 ! force: 0.013286
assign (residue 8 and name HG2) (residue 8 and name HH1#) 0.0 1.8 4.5548 ! force: 0.0248596
assign (residue 8 and name HD#) (residue 8 and name HH1#) 0.0 1.8 2.31306 ! force: 0.0186471
assign (residue 8 and name HE) (residue 8 and name HH1#) 0.0 1.8 3.45045 ! force: 0.0212665
assign (residue 8 and name HG1) (residue 8 and name HH2#) 0.0 1.8 4.6443 ! force: 0.013286
assign (residue 8 and name HG2) (residue 8 and name HH2#) 0.0 1.8 4.60496 ! force: 0.0248596
assign (residue 8 and name HD#) (residue 8 and name HH2#) 0.0 1.8 3.77356 ! force: 0.0186471
assign (residue 8 and name HE) (residue 8 and name HH2#) 0.0 1.8 2.3612 ! force: 0.0212665
assign (residue 8 and name HH1#) (residue 8 and name HH2#) 0.0 1.8 2.3706 ! force: 0.0784812
assign (residue 9 and name HN) (residue 9 and name HA) 0.0 1.8 2.95651 ! force: 0.103194
assign (residue 9 and name HN) (residue 9 and name HB1) 0.0 1.8 3.28111 ! force: 0.23032
assign (residue 9 and name HA) (residue 9 and name HB1) 0.0 1.8 3.10153 ! force: 0.034492
assign (residue 9 and name HN) (residue 9 and name HB2) 0.0 1.8 2.5324 ! force: 0.0498027
assign (residue 9 and name HA) (residue 9 and name HB2) 0.0 1.8 2.69462 ! force: 0.0217216
assign (residue 9 and name HN) (residue 9 and name HG) 0.0 1.8 4.62659 ! force: 0.0299689
assign (residue 9 and name HA) (residue 9 and name HG) 0.0 1.8 2.93864 ! force: 0.0139546
assign (residue 9 and name HB1) (residue 9 and name HG) 0.0 1.8 2.75206 ! force: 0.0229319
assign (residue 9 and name HN) (residue 9 and name HD1#) 0.0 1.8 3.99208 ! force: 0.274582
assign (residue 9 and name HA) (residue 9 and name HD1#) 0.0 1.8 3.46291 ! force: 0.092287
assign (residue 9 and name HB1) (residue 9 and name HD1#) 0.0 1.8 3.2637 ! force: 0.0119077
assign (residue 9 and name HB2) (residue 9 and name HD1#) 0.0 1.8 3.34531 ! force: 0.0135663
assign (residue 9 and name HN) (residue 9 and name HD2#) 0.0 1.8 4.1985 ! force: 0.259068
assign (residue 9 and name HA) (residue 9 and name HD2#) 0.0 1.8 3.94258 ! force: 0.104746
assign (residue 9 and name HB1) (residue 9 and name HD2#) 0.0 1.8 3.36696 ! force: 0.017072
assign (residue 9 and name HB2) (residue 9 and name HD2#) 0.0 1.8 2.77513 ! force: 0.0165272
assign (residue 9 and name HG) (residue 9 and name HD2#) 0.0 1.8 2.19507 ! force: 0.0116773
assign (residue 10 and name HN) (residue 10 and name HA) 0.0 1.8 2.97086 ! force: 0.0915919
assign (residue 10 and name HN) (residue 10 and name HB#) 0.0 1.8 2.36773 ! force: 0.0283939
assign (residue 10 and name HA) (residue 10 and name HB#) 0.0 1.8 2.63201 ! force: 0.0101677
assign (residue 10 and name HN) (residue 10 and name HG) 0.0 1.8 4.57853 ! force: 0.0719082
assign (residue 10 and name HA) (residue 10 and name HG) 0.0 1.8 3.91685 ! force: 0.0216983
assign (residue 10 and name HB#) (residue 10 and name HG) 0.0 1.8 2.57206 ! force: 0.0102523
assign (residue 10 and name HN) (residue 10 and name HD1#) 0.0 1.8 4.21814 ! force: 0.628449
assign (residue 10 and name HA) (residue 10 and name HD1#) 0.0 1.8 3.53725 ! force: 0.18278
assign (residue 10 and name HB#) (residue 10 and name HD1#) 0.0 1.8 2.49599 ! force: 0.0180575
assign (residue 10 and name HG) (residue 10 and name HD1#) 0.0 1.8 2.19864 ! force: 0.0241986
assign (residue 10 and name HN) (residue 10 and name HD2#) 0.0 1.8 4.31908 ! force: 0.229058
assign (residue 10 and name HA) (residue 10 and name HD2#) 0.0 1.8 3.64811 ! force: 0.0960426
assign (residue 11 and name HN) (residue 11 and name HB11) 0.0 1.8 3.74341 ! force: 0.0677684
assign (residue 11 and name HN) (residue 11 and name HB12) 0.0 1.8 3.50338 ! force: 0.140042
assign (residue 11 and name HN) (residue 11 and name HB2#) 0.0 1.8 3.04701 ! force: 0.0964711
assign (residue 11 and name HB11) (residue 11 and name HB2#) 0.0 1.8 2.4613 ! force: 0.0102374
assign (residue 11 and name HB12) (residue 11 and name HB2#) 0.0 1.8 3.30208 ! force: 0.0294321
assign (residue 11 and name HN) (residue 11 and name HG11) 0.0 1.8 3.91251 ! force: 0.491206
assign (residue 11 and name HB11) (residue 11 and name HG11) 0.0 1.8 3.05464 ! force: 0.0753723
assign (residue 11 and name HB12) (residue 11 and name HG11) 0.0 1.8 2.78927 ! force: 0.06824
assign (residue 11 and name HB2#) (residue 11 and name HG11) 0.0 1.8 3.76131 ! force: 0.0237456
assign (residue 11 and name HN) (residue 11 and name HG12) 0.0 1.8 3.56993 ! force: 0.0537608
assign (residue 11 and name HB12) (residue 11 and name HG12) 0.0 1.8 3.10044 ! force: 0.0212668
assign (residue 11 and name HB2#) (residue 11 and name HG12) 0.0 1.8 2.60732 ! force: 0.0112134
assign (residue 11 and name HG11) (residue 11 and name HG12) 0.0 1.8 1.86594 ! force: 0.0264464
assign (residue 11 and name HN) (residue 11 and name HD11) 0.0 1.8 4.39067 ! force: 0.0644636
assign (residue 11 and name HB11) (residue 11 and name HD11) 0.0 1.8 3.36912 ! force: 0.0151732
assign (residue 11 and name HG11) (residue 11 and name HD11) 0.0 1.8 3.02482 ! force: 0.0506754
assign (residue 11 and name HN) (residue 11 and name HD12) 0.0 1.8 4.04141 ! force: 0.187471
assign (residue 11 and name HB2#) (residue 11 and name HD12) 0.0 1.8 3.86851 ! force: 0.0176318
assign (residue 11 and name HG11) (residue 11 and name HD12) 0.0 1.8 3.09486 ! force: 0.097265
assign (residue 11 and name HG12) (residue 11 and name HD12) 0.0 1.8 2.58592 ! force: 0.0129079
assign (residue 11 and name HB11) (residue 11 and name HE1) 0.0 1.8 3.80065 ! force: 0.0966029
assign (residue 11 and name HB12) (residue 11 and name HE1) 0.0 1.8 3.4907 ! force: 0.0941172
assign (residue 11 and name HG11) (residue 11 and name HE1) 0.0 1.8 3.9301 ! force: 0.631215
assign (residue 11 and name HG12) (residue 11 and name HE1) 0.0 1.8 3.40047 ! force: 0.0994341
assign (residue 11 and name HD11) (residue 11 and name HE1) 0.0 1.8 3.18139 ! force: 0.0707579
assign (residue 11 and name HD12) (residue 11 and name HE1) 0.0 1.8 3.17846 ! force: 0.0799623
assign (residue 12 and name HN) (residue 12 and name HA) 0.0 1.8 2.94465 ! force: 0.125378
assign (residue 12 and name HN) (residue 12 and name HB#) 0.0 1.8 2.37757 ! force: 0.149787
assign (residue 12 and name HA) (residue 12 and name HB#) 0.0 1.8 2.62838 ! force: 0.115836
assign (residue 13 and name HN) (residue 13 and name HA) 0.0 1.8 2.97945 ! force: 0.228273
assign (residue 13 and name HN) (residue 13 and name HB#) 0.0 1.8 2.88789 ! force: 0.241652
assign (residue 13 and name HA) (residue 13 and name HB#) 0.0 1.8 2.4958 ! force: 0.0656177
! File: p149c_sequential.txt
! Description: sequential NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
! Note: the force value following each entry describes the individual weighting applied
!       to that restraint. This value is a measure of the confidence of the NOE distance
!       restraint assignment. Individual force constants are not available in X-PLOR/CNS.
! Disclaimer: these restraints have not been tested in either X-PLOR or CNS.

assign (residue 0 and name HB#) (residue 1 and name HN) 0.0 1.8 2.35736 ! force: 0.0618859
assign (residue 0 and name HB#) (residue 1 and name HA) 0.0 1.8 3.91453 ! force: 0.0683835
assign (residue 0 and name HB#) (residue 1 and name HB1) 0.0 1.8 4.56214 ! force: 0.0149653
assign (residue 1 and name HN) (residue 2 and name HN) 0.0 1.8 4.14051 ! force: 0.393191
assign (residue 1 and name HA) (residue 2 and name HN) 0.0 1.8 3.44508 ! force: 0.180303
assign (residue 1 and name HB1) (residue 2 and name HN) 0.0 1.8 4.06878 ! force: 0.130904
assign (residue 1 and name HB2) (residue 2 and name HN) 0.0 1.8 4.63954 ! force: 0.209194
assign (residue 1 and name HG#) (residue 2 and name HN) 0.0 1.8 4.56578 ! force: 0.427772
assign (residue 1 and name HB1) (residue 2 and name HA) 0.0 1.8 4.77763 ! force: 0.0209977
assign (residue 1 and name HN) (residue 2 and name HB#) 0.0 1.8 4.71699 ! force: 0.0348392
assign (residue 1 and name HA) (residue 2 and name HB#) 0.0 1.8 4.22397 ! force: 0.018096
assign (residue 2 and name HN) (residue 3 and name HN) 0.0 1.8 2.70037 ! force: 0.0461394
assign (residue 2 and name HA) (residue 3 and name HN) 0.0 1.8 3.65819 ! force: 0.179943
assign (residue 2 and name HB#) (residue 3 and name HN) 0.0 1.8 3.84502 ! force: 0.0739885
assign (residue 2 and name HG2) (residue 3 and name HN) 0.0 1.8 4.18202 ! force: 0.0698886
assign (residue 2 and name HA) (residue 3 and name HA) 0.0 1.8 4.96319 ! force: 0.139038
assign (residue 2 and name HB#) (residue 3 and name HA) 0.0 1.8 4.71405 ! force: 0.0735153
assign (residue 2 and name HG2) (residue 3 and name HA) 0.0 1.8 4.45726 ! force: 0.0950722
assign (residue 2 and name HB#) (residue 3 and name HB1) 0.0 1.8 4.91548 ! force: 0.0120572
assign (residue 2 and name HB#) (residue 3 and name HB2) 0.0 1.8 3.97202 ! force: 0.0224275
assign (residue 2 and name HG2) (residue 3 and name HB2) 0.0 1.8 4.93706 ! force: 0.0823532
assign (residue 3 and name HN) (residue 4 and name HN) 0.0 1.8 2.7656 ! force: 0.0966565
assign (residue 3 and name HA) (residue 4 and name HN) 0.0 1.8 3.63833 ! force: 0.197469
assign (residue 3 and name HB1) (residue 4 and name HN) 0.0 1.8 4.33458 ! force: 0.225011
assign (residue 3 and name HB2) (residue 4 and name HN) 0.0 1.8 4.0045 ! force: 0.411427
assign (residue 3 and name HA) (residue 4 and name HA) 0.0 1.8 4.98544 ! force: 0.300521
assign (residue 3 and name HD2) (residue 4 and name HA) 0.0 1.8 4.95591 ! force: 0.204685
assign (residue 3 and name HN) (residue 4 and name HB#) 0.0 1.8 4.63879 ! force: 0.100957
assign (residue 3 and name HB1) (residue 4 and name HB#) 0.0 1.8 4.83964 ! force: 0.0160179
assign (residue 3 and name HN) (residue 4 and name HG1) 0.0 1.8 4.52476 ! force: 0.066611
assign (residue 3 and name HB1) (residue 4 and name HG1) 0.0 1.8 3.75404 ! force: 0.0467947
assign (residue 3 and name HD2) (residue 4 and name HG1) 0.0 1.8 4.25563 ! force: 0.0240209
assign (residue 3 and name HB1) (residue 4 and name HG2) 0.0 1.8 4.43522 ! force: 0.114576
assign (residue 3 and name HD2) (residue 4 and name HG2) 0.0 1.8 4.45586 ! force: 0.159633
assign (residue 4 and name HN) (residue 5 and name HN) 0.0 1.8 2.89679 ! force: 0.114858
assign (residue 4 and name HA) (residue 5 and name HN) 0.0 1.8 3.68976 ! force: 0.192583
assign (residue 4 and name HB#) (residue 5 and name HN) 0.0 1.8 2.62738 ! force: 0.0437138
assign (residue 4 and name HG1) (residue 5 and name HN) 0.0 1.8 4.46747 ! force: 0.0858128
assign (residue 4 and name HD#) (residue 5 and name HN) 0.0 1.8 4.81547 ! force: 0.0525469
assign (residue 4 and name HA) (residue 5 and name HA) 0.0 1.8 4.90914 ! force: 0.200448
assign (residue 4 and name HB#) (residue 5 and name HA) 0.0 1.8 4.04119 ! force: 0.0978952
assign (residue 4 and name HN) (residue 5 and name HG11) 0.0 1.8 4.97132 ! force: 0.422507
assign (residue 4 and name HN) (residue 5 and name HG2#) 0.0 1.8 4.27637 ! force: 0.206078
assign (residue 4 and name HB#) (residue 5 and name HG2#) 0.0 1.8 4.29116 ! force: 0.0212346
assign (residue 4 and name HB#) (residue 5 and name HD1#) 0.0 1.8 3.00971 ! force: 0.0193581
assign (residue 5 and name HN) (residue 6 and name HN) 0.0 1.8 2.89596 ! force: 0.0117313
assign (residue 5 and name HA) (residue 6 and name HN) 0.0 1.8 3.67063 ! force: 0.284553
assign (residue 5 and name HB) (residue 6 and name HN) 0.0 1.8 4.13133 ! force: 0.156364
assign (residue 5 and name HG11) (residue 6 and name HN) 0.0 1.8 4.30854 ! force: 0.689951
assign (residue 5 and name HG2#) (residue 6 and name HN) 0.0 1.8 3.83207 ! force: 0.30086
assign (residue 5 and name HD1#) (residue 6 and name HN) 0.0 1.8 4.15733 ! force: 0.238
assign (residue 5 and name HA) (residue 6 and name HA) 0.0 1.8 4.9911 ! force: 0.0171963
assign (residue 5 and name HB) (residue 6 and name HA) 0.0 1.8 4.78598 ! force: 0.0350392
assign (residue 5 and name HG2#) (residue 6 and name HA) 0.0 1.8 4.00866 ! force: 0.12144
assign (residue 5 and name HN) (residue 6 and name HB2) 0.0 1.8 4.93894 ! force: 0.0270256
assign (residue 6 and name HN) (residue 7 and name HN) 0.0 1.8 3.09563 ! force: 0.266985
assign (residue 6 and name HA) (residue 7 and name HN) 0.0 1.8 3.71907 ! force: 0.15187
assign (residue 6 and name HB1) (residue 7 and name HN) 0.0 1.8 2.79322 ! force: 0.0416255
assign (residue 6 and name HB2) (residue 7 and name HN) 0.0 1.8 3.90829 ! force: 0.0342776
assign (residue 6 and name HG) (residue 7 and name HN) 0.0 1.8 4.78268 ! force: 0.0611565
assign (residue 6 and name HD1#) (residue 7 and name HN) 0.0 1.8 4.16067 ! force: 0.143068
assign (residue 6 and name HD2#) (residue 7 and name HN) 0.0 1.8 3.91252 ! force: 0.227912
assign (residue 6 and name HN) (residue 7 and name HB11) 0.0 1.8 4.55761 ! force: 0.121555
assign (residue 6 and name HD2#) (residue 7 and name HB12) 0.0 1.8 4.51693 ! force: 0.0364201
assign (residue 6 and name HA) (residue 7 and name HB2#) 0.0 1.8 4.38059 ! force: 0.0514289
assign (residue 6 and name HD1#) (residue 7 and name HB2#) 0.0 1.8 4.71596 ! force: 0.0610413
assign (residue 6 and name HD2#) (residue 7 and name HB2#) 0.0 1.8 3.31851 ! force: 0.0772205
assign (residue 7 and name HN) (residue 8 and name HN) 0.0 1.8 3.12175 ! force: 0.144092
assign (residue 7 and name HB11) (residue 8 and name HN) 0.0 1.8 3.02495 ! force: 0.0738975
assign (residue 7 and name HB12) (residue 8 and name HN) 0.0 1.8 4.39984 ! force: 0.06382
assign (residue 7 and name HB2#) (residue 8 and name HN) 0.0 1.8 3.92288 ! force: 0.106227
assign (residue 7 and name HG11) (residue 8 and name HN) 0.0 1.8 4.98832 ! force: 0.196761
assign (residue 7 and name HG12) (residue 8 and name HN) 0.0 1.8 4.42885 ! force: 0.0500917
assign (residue 7 and name HD11) (residue 8 and name HN) 0.0 1.8 4.96054 ! force: 0.0920684
assign (residue 7 and name HD12) (residue 8 and name HN) 0.0 1.8 4.98772 ! force: 0.0644602
assign (residue 7 and name HE1) (residue 8 and name HN) 0.0 1.8 4.87482 ! force: 0.239671
assign (residue 7 and name HB11) (residue 8 and name HA) 0.0 1.8 4.92312 ! force: 0.0731791
assign (residue 7 and name HB2#) (residue 8 and name HA) 0.0 1.8 4.75561 ! force: 0.128315
assign (residue 7 and name HG11) (residue 8 and name HA) 0.0 1.8 4.96665 ! force: 0.465928
assign (residue 7 and name HD12) (residue 8 and name HA) 0.0 1.8 4.75795 ! force: 0.164884
assign (residue 7 and name HN) (residue 8 and name HB2) 0.0 1.8 4.94959 ! force: 0.0652966
assign (residue 7 and name HN) (residue 8 and name HG1) 0.0 1.8 4.69809 ! force: 0.0433166
assign (residue 7 and name HD11) (residue 8 and name HG1) 0.0 1.8 4.68209 ! force: 0.0399528
assign (residue 7 and name HD11) (residue 8 and name HG2) 0.0 1.8 4.42676 ! force: 0.0545634
assign (residue 7 and name HE1) (residue 8 and name HG2) 0.0 1.8 4.58432 ! force: 0.0521608
assign (residue 7 and name HD12) (residue 8 and name HD#) 0.0 1.8 4.91515 ! force: 0.0848436
assign (residue 7 and name HE1) (residue 8 and name HD#) 0.0 1.8 4.98322 ! force: 0.139788
assign (residue 7 and name HD12) (residue 8 and name HE) 0.0 1.8 4.59667 ! force: 0.18826
assign (residue 8 and name HN) (residue 9 and name HN) 0.0 1.8 2.96156 ! force: 0.19807
assign (residue 8 and name HA) (residue 9 and name HN) 0.0 1.8 3.68289 ! force: 0.371437
assign (residue 8 and name HB1) (residue 9 and name HN) 0.0 1.8 3.86202 ! force: 0.0617315
assign (residue 8 and name HB2) (residue 9 and name HN) 0.0 1.8 3.03267 ! force: 0.0756346
assign (residue 8 and name HG1) (residue 9 and name HN) 0.0 1.8 4.6258 ! force: 0.035783
assign (residue 8 and name HA) (residue 9 and name HA) 0.0 1.8 4.9108 ! force: 0.148447
assign (residue 8 and name HB1) (residue 9 and name HA) 0.0 1.8 4.56123 ! force: 0.0281446
assign (residue 8 and name HB2) (residue 9 and name HA) 0.0 1.8 4.65504 ! force: 0.0422702
assign (residue 8 and name HN) (residue 9 and name HB2) 0.0 1.8 4.94043 ! force: 0.0396295
assign (residue 9 and name HN) (residue 10 and name HN) 0.0 1.8 2.7394 ! force: 0.284779
assign (residue 9 and name HA) (residue 10 and name HN) 0.0 1.8 3.65109 ! force: 0.0936914
assign (residue 9 and name HB1) (residue 10 and name HN) 0.0 1.8 3.05715 ! force: 0.142142
assign (residue 9 and name HB2) (residue 10 and name HN) 0.0 1.8 3.72402 ! force: 0.116785
assign (residue 9 and name HG) (residue 10 and name HN) 0.0 1.8 4.52757 ! force: 0.0358268
assign (residue 9 and name HD1#) (residue 10 and name HN) 0.0 1.8 4.42695 ! force: 0.23222
assign (residue 9 and name HD2#) (residue 10 and name HN) 0.0 1.8 4.42938 ! force: 0.25492
assign (residue 9 and name HB1) (residue 10 and name HA) 0.0 1.8 4.27806 ! force: 0.0335556
assign (residue 9 and name HG) (residue 10 and name HA) 0.0 1.8 4.52103 ! force: 0.013661
assign (residue 9 and name HD2#) (residue 10 and name HA) 0.0 1.8 4.40703 ! force: 0.103545
assign (residue 9 and name HN) (residue 10 and name HB#) 0.0 1.8 4.29519 ! force: 0.0235963
assign (residue 9 and name HB1) (residue 10 and name HB#) 0.0 1.8 4.06979 ! force: 0.0135272
assign (residue 10 and name HN) (residue 11 and name HN) 0.0 1.8 3.26457 ! force: 0.696651
assign (residue 10 and name HA) (residue 11 and name HN) 0.0 1.8 3.75314 ! force: 0.181544
assign (residue 10 and name HB#) (residue 11 and name HN) 0.0 1.8 2.63133 ! force: 0.037447
assign (residue 10 and name HG) (residue 11 and name HN) 0.0 1.8 4.40286 ! force: 0.0921658
assign (residue 10 and name HD1#) (residue 11 and name HN) 0.0 1.8 4.53828 ! force: 0.579513
assign (residue 10 and name HD2#) (residue 11 and name HN) 0.0 1.8 4.03884 ! force: 0.21961
assign (residue 10 and name HB#) (residue 11 and name HB11) 0.0 1.8 4.87418 ! force: 0.0105246
assign (residue 10 and name HA) (residue 11 and name HB2#) 0.0 1.8 4.36492 ! force: 0.0470214
assign (residue 10 and name HG) (residue 11 and name HB2#) 0.0 1.8 3.61264 ! force: 0.0112248
assign (residue 10 and name HD1#) (residue 11 and name HB2#) 0.0 1.8 3.60103 ! force: 0.139855
assign (residue 10 and name HD2#) (residue 11 and name HB2#) 0.0 1.8 3.30967 ! force: 0.0603532
assign (residue 10 and name HN) (residue 11 and name HG11) 0.0 1.8 4.59077 ! force: 0.48669
assign (residue 10 and name HB#) (residue 11 and name HG11) 0.0 1.8 4.40479 ! force: 0.0360153
assign (residue 10 and name HD1#) (residue 11 and name HG11) 0.0 1.8 4.78315 ! force: 0.242366
assign (residue 10 and name HN) (residue 11 and name HG12) 0.0 1.8 4.47005 ! force: 0.153363
assign (residue 10 and name HD2#) (residue 11 and name HG12) 0.0 1.8 3.50832 ! force: 0.0490252
assign (residue 10 and name HN) (residue 11 and name HD12) 0.0 1.8 4.93592 ! force: 0.106198
assign (residue 10 and name HD2#) (residue 11 and name HD12) 0.0 1.8 4.0567 ! force: 0.0422223
assign (residue 11 and name HN) (residue 12 and name HN) 0.0 1.8 3.07906 ! force: 0.310527
assign (residue 11 and name HB11) (residue 12 and name HN) 0.0 1.8 4.28593 ! force: 0.046311
assign (residue 11 and name HB12) (residue 12 and name HN) 0.0 1.8 3.31142 ! force: 0.13787
assign (residue 11 and name HB2#) (residue 12 and name HN) 0.0 1.8 3.77596 ! force: 0.178028
assign (residue 11 and name HG11) (residue 12 and name HN) 0.0 1.8 4.51397 ! force: 0.294221
assign (residue 11 and name HG12) (residue 12 and name HN) 0.0 1.8 4.56591 ! force: 0.127616
assign (residue 11 and name HB11) (residue 12 and name HA) 0.0 1.8 4.97769 ! force: 0.0712281
assign (residue 11 and name HB12) (residue 12 and name HA) 0.0 1.8 4.35752 ! force: 0.0745996
assign (residue 11 and name HB2#) (residue 12 and name HA) 0.0 1.8 4.7185 ! force: 0.0972921
assign (residue 11 and name HN) (residue 12 and name HB#) 0.0 1.8 4.61714 ! force: 0.733285
assign (residue 11 and name HB12) (residue 12 and name HB#) 0.0 1.8 4.6073 ! force: 0.153087
assign (residue 11 and name HB2#) (residue 12 and name HB#) 0.0 1.8 4.93533 ! force: 0.145252
assign (residue 11 and name HG12) (residue 12 and name HB#) 0.0 1.8 4.66935 ! force: 0.0957536
assign (residue 12 and name HN) (residue 13 and name HN) 0.0 1.8 2.80627 ! force: 0.197613
assign (residue 12 and name HA) (residue 13 and name HN) 0.0 1.8 3.68535 ! force: 0.278973
assign (residue 12 and name HB#) (residue 13 and name HN) 0.0 1.8 2.87856 ! force: 0.183229
assign (residue 12 and name HA) (residue 13 and name HA) 0.0 1.8 4.94138 ! force: 0.172576
assign (residue 12 and name HB#) (residue 13 and name HA) 0.0 1.8 4.49893 ! force: 0.666975
assign (residue 12 and name HN) (residue 13 and name HB#) 0.0 1.8 4.72551 ! force: 0.174109
assign (residue 12 and name HB#) (residue 13 and name HB#) 0.0 1.8 4.54186 ! force: 0.419687
! File: p149c_short-range.txt
! Description: short-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
! Note: the force value following each entry describes the individual weighting applied
!       to that restraint. This value is a measure of the confidence of the NOE distance
!       restraint assignment. Individual force constants are not available in X-PLOR/CNS.
! Disclaimer: these restraints have not been tested in either X-PLOR or CNS.

assign (residue 0 and name HB#) (residue 2 and name HN) 0.0 1.8 4.46676 ! force: 0.312647
assign (residue 1 and name HA) (residue 3 and name HN) 0.0 1.8 4.36906 ! force: 0.18728
assign (residue 1 and name HB1) (residue 3 and name HN) 0.0 1.8 4.71226 ! force: 0.126126
assign (residue 0 and name HB#) (residue 3 and name HB1) 0.0 1.8 4.90514 ! force: 0.0995579
assign (residue 0 and name HB#) (residue 3 and name HB2) 0.0 1.8 4.73829 ! force: 0.23419
assign (residue 1 and name HA) (residue 4 and name HN) 0.0 1.8 4.19702 ! force: 0.100797
assign (residue 1 and name HG#) (residue 4 and name HN) 0.0 1.8 4.85734 ! force: 0.352349
assign (residue 2 and name HN) (residue 4 and name HN) 0.0 1.8 4.14654 ! force: 0.0948224
assign (residue 2 and name HA) (residue 4 and name HN) 0.0 1.8 4.69681 ! force: 0.0987482
assign (residue 2 and name HB#) (residue 4 and name HN) 0.0 1.8 4.79156 ! force: 0.0636048
assign (residue 1 and name HA) (residue 4 and name HB#) 0.0 1.8 3.41421 ! force: 0.0329659
assign (residue 1 and name HG#) (residue 4 and name HB#) 0.0 1.8 3.73443 ! force: 0.162072
assign (residue 1 and name HA) (residue 4 and name HG1) 0.0 1.8 3.75075 ! force: 0.0309716
assign (residue 1 and name HB1) (residue 4 and name HG1) 0.0 1.8 3.00822 ! force: 0.0158471
assign (residue 1 and name HG#) (residue 4 and name HG1) 0.0 1.8 4.19867 ! force: 0.0715179
assign (residue 1 and name HB1) (residue 4 and name HG2) 0.0 1.8 4.33312 ! force: 0.0427952
assign (residue 1 and name HA) (residue 4 and name HD#) 0.0 1.8 4.74022 ! force: 0.0185767
assign (residue 1 and name HG#) (residue 4 and name HD#) 0.0 1.8 3.96571 ! force: 0.0871568
assign (residue 0 and name HB#) (residue 4 and name HE#) 0.0 1.8 4.66606 ! force: 0.0986509
assign (residue 1 and name HB1) (residue 4 and name HE#) 0.0 1.8 4.20746 ! force: 0.039658
assign (residue 1 and name HG#) (residue 4 and name HE#) 0.0 1.8 4.57414 ! force: 0.13706
assign (residue 1 and name HG#) (residue 5 and name HN) 0.0 1.8 4.49845 ! force: 0.296235
assign (residue 2 and name HA) (residue 5 and name HN) 0.0 1.8 4.10142 ! force: 0.0889886
assign (residue 3 and name HN) (residue 5 and name HN) 0.0 1.8 4.58111 ! force: 0.263959
assign (residue 3 and name HA) (residue 5 and name HN) 0.0 1.8 4.74697 ! force: 0.0869371
assign (residue 1 and name HG#) (residue 5 and name HG12) 0.0 1.8 4.51617 ! force: 0.174517
assign (residue 1 and name HB1) (residue 5 and name HG2#) 0.0 1.8 4.81111 ! force: 0.0411595
assign (residue 1 and name HG#) (residue 5 and name HG2#) 0.0 1.8 4.53279 ! force: 0.171619
assign (residue 2 and name HA) (residue 5 and name HG2#) 0.0 1.8 4.37489 ! force: 0.117542
assign (residue 2 and name HB#) (residue 5 and name HG2#) 0.0 1.8 4.06127 ! force: 0.0161859
assign (residue 2 and name HG1) (residue 5 and name HG2#) 0.0 1.8 3.52869 ! force: 0.0893868
assign (residue 2 and name HG2) (residue 5 and name HG2#) 0.0 1.8 3.93008 ! force: 0.0361468
assign (residue 1 and name HA) (residue 5 and name HD1#) 0.0 1.8 4.94267 ! force: 0.0896321
assign (residue 1 and name HG#) (residue 5 and name HD1#) 0.0 1.8 4.34971 ! force: 0.175018
assign (residue 2 and name HB#) (residue 5 and name HD1#) 0.0 1.8 4.96982 ! force: 0.0127789
assign (residue 2 and name HE#) (residue 5 and name HD1#) 0.0 1.8 4.59702 ! force: 0.0918552
assign (residue 2 and name HA) (residue 6 and name HN) 0.0 1.8 4.77276 ! force: 0.259781
assign (residue 3 and name HA) (residue 6 and name HN) 0.0 1.8 4.03546 ! force: 0.209195
assign (residue 4 and name HN) (residue 6 and name HN) 0.0 1.8 4.32004 ! force: 0.246654
assign (residue 4 and name HA) (residue 6 and name HN) 0.0 1.8 4.68201 ! force: 0.53618
assign (residue 4 and name HB#) (residue 6 and name HN) 0.0 1.8 4.76217 ! force: 0.144279
assign (residue 3 and name HA) (residue 6 and name HB1) 0.0 1.8 3.77915 ! force: 0.0434212
assign (residue 3 and name HA) (residue 6 and name HB2) 0.0 1.8 3.81504 ! force: 0.0416455
assign (residue 2 and name HG2) (residue 6 and name HD1#) 0.0 1.8 4.79106 ! force: 0.0468787
assign (residue 2 and name HE#) (residue 6 and name HD1#) 0.0 1.8 4.24883 ! force: 0.0918242
assign (residue 3 and name HA) (residue 6 and name HD1#) 0.0 1.8 4.56592 ! force: 0.0868151
assign (residue 2 and name HG2) (residue 6 and name HD2#) 0.0 1.8 4.95909 ! force: 0.0457405
assign (residue 3 and name HA) (residue 6 and name HD2#) 0.0 1.8 4.52214 ! force: 0.125715
assign (residue 3 and name HA) (residue 7 and name HN) 0.0 1.8 4.30606 ! force: 0.210317
assign (residue 4 and name HA) (residue 7 and name HN) 0.0 1.8 4.20479 ! force: 0.161344
assign (residue 5 and name HA) (residue 7 and name HN) 0.0 1.8 4.76829 ! force: 0.260641
assign (residue 4 and name HA) (residue 7 and name HB11) 0.0 1.8 3.45334 ! force: 0.0599284
assign (residue 4 and name HA) (residue 7 and name HB12) 0.0 1.8 4.83455 ! force: 0.0389013
assign (residue 4 and name HA) (residue 8 and name HN) 0.0 1.8 4.65629 ! force: 0.244945
assign (residue 5 and name HA) (residue 8 and name HN) 0.0 1.8 3.88155 ! force: 0.0981006
assign (residue 6 and name HA) (residue 8 and name HN) 0.0 1.8 4.46064 ! force: 0.0944228
assign (residue 6 and name HB1) (residue 8 and name HN) 0.0 1.8 4.99334 ! force: 0.0316418
assign (residue 5 and name HD1#) (residue 8 and name HB1) 0.0 1.8 4.71722 ! force: 0.0204062
assign (residue 5 and name HA) (residue 8 and name HB2) 0.0 1.8 3.36247 ! force: 0.0677266
assign (residue 5 and name HG11) (residue 8 and name HB2) 0.0 1.8 4.52574 ! force: 0.142323
assign (residue 5 and name HD1#) (residue 8 and name HB2) 0.0 1.8 3.90157 ! force: 0.0316675
assign (residue 4 and name HA) (residue 8 and name HG1) 0.0 1.8 4.2347 ! force: 0.0283577
assign (residue 4 and name HB#) (residue 8 and name HG1) 0.0 1.8 4.16271 ! force: 0.0253988
assign (residue 5 and name HA) (residue 8 and name HG1) 0.0 1.8 3.7937 ! force: 0.0185973
assign (residue 4 and name HB#) (residue 8 and name HD#) 0.0 1.8 4.07282 ! force: 0.0195503
assign (residue 5 and name HA) (residue 8 and name HD#) 0.0 1.8 4.27453 ! force: 0.211306
assign (residue 5 and name HG2#) (residue 8 and name HD#) 0.0 1.8 4.91701 ! force: 0.0733565
assign (residue 5 and name HD1#) (residue 8 and name HD#) 0.0 1.8 3.94738 ! force: 0.0748096
assign (residue 4 and name HB#) (residue 8 and name HE) 0.0 1.8 3.57434 ! force: 0.0718433
assign (residue 4 and name HD#) (residue 8 and name HE) 0.0 1.8 4.4161 ! force: 0.0484645
assign (residue 4 and name HB#) (residue 8 and name HH1#) 0.0 1.8 4.95263 ! force: 0.0415593
assign (residue 4 and name HB#) (residue 8 and name HH2#) 0.0 1.8 4.42152 ! force: 0.0415593
assign (residue 4 and name HD#) (residue 8 and name HH2#) 0.0 1.8 4.00968 ! force: 0.0155936
assign (residue 4 and name HE#) (residue 8 and name HH2#) 0.0 1.8 4.90716 ! force: 0.0325239
assign (residue 5 and name HA) (residue 9 and name HN) 0.0 1.8 4.61139 ! force: 0.335824
assign (residue 5 and name HG2#) (residue 9 and name HN) 0.0 1.8 4.54251 ! force: 0.341969
assign (residue 6 and name HA) (residue 9 and name HN) 0.0 1.8 3.94317 ! force: 0.104722
assign (residue 7 and name HN) (residue 9 and name HN) 0.0 1.8 4.64037 ! force: 0.636089
assign (residue 7 and name HB2#) (residue 9 and name HN) 0.0 1.8 4.5892 ! force: 0.147215
assign (residue 6 and name HA) (residue 9 and name HB1) 0.0 1.8 3.65152 ! force: 0.0350043
assign (residue 5 and name HG11) (residue 9 and name HB2) 0.0 1.8 4.02737 ! force: 0.0868156
assign (residue 5 and name HD1#) (residue 9 and name HB2) 0.0 1.8 4.78624 ! force: 0.0157932
assign (residue 6 and name HA) (residue 9 and name HB2) 0.0 1.8 4.00224 ! force: 0.0219727
assign (residue 6 and name HA) (residue 9 and name HD1#) 0.0 1.8 4.64442 ! force: 0.0929477
assign (residue 6 and name HA) (residue 9 and name HD2#) 0.0 1.8 4.02199 ! force: 0.105751
assign (residue 6 and name HA) (residue 10 and name HN) 0.0 1.8 4.58558 ! force: 0.0949175
assign (residue 6 and name HD2#) (residue 10 and name HN) 0.0 1.8 4.83764 ! force: 0.234571
assign (residue 7 and name HB2#) (residue 10 and name HN) 0.0 1.8 3.58116 ! force: 0.221118
assign (residue 8 and name HN) (residue 10 and name HN) 0.0 1.8 4.37565 ! force: 0.50506
assign (residue 8 and name HA) (residue 10 and name HN) 0.0 1.8 4.53509 ! force: 0.83412
assign (residue 7 and name HB2#) (residue 10 and name HA) 0.0 1.8 4.91085 ! force: 0.0473073
assign (residue 6 and name HA) (residue 10 and name HB#) 0.0 1.8 4.82283 ! force: 0.0105501
assign (residue 7 and name HB2#) (residue 10 and name HG) 0.0 1.8 4.70961 ! force: 0.0109682
assign (residue 7 and name HB2#) (residue 10 and name HD1#) 0.0 1.8 4.31561 ! force: 0.141623
assign (residue 6 and name HD2#) (residue 10 and name HD2#) 0.0 1.8 4.75245 ! force: 0.0394635
assign (residue 7 and name HB2#) (residue 10 and name HD2#) 0.0 1.8 3.15348 ! force: 0.0593203
assign (residue 7 and name HB2#) (residue 11 and name HN) 0.0 1.8 3.63746 ! force: 0.0952125
assign (residue 7 and name HD11) (residue 11 and name HN) 0.0 1.8 4.98865 ! force: 0.319851
assign (residue 8 and name HA) (residue 11 and name HN) 0.0 1.8 4.15981 ! force: 0.794591
assign (residue 9 and name HN) (residue 11 and name HN) 0.0 1.8 4.72129 ! force: 0.664936
assign (residue 7 and name HG12) (residue 11 and name HB11) 0.0 1.8 4.8963 ! force: 0.0153386
assign (residue 7 and name HE1) (residue 11 and name HB11) 0.0 1.8 4.54457 ! force: 0.0904143
assign (residue 7 and name HB2#) (residue 11 and name HB12) 0.0 1.8 4.998 ! force: 0.0287047
assign (residue 8 and name HA) (residue 11 and name HB12) 0.0 1.8 4.09278 ! force: 0.0820896
assign (residue 7 and name HB2#) (residue 11 and name HB2#) 0.0 1.8 4.68949 ! force: 0.0153346
assign (residue 7 and name HB12) (residue 11 and name HG11) 0.0 1.8 4.80487 ! force: 0.0788831
assign (residue 7 and name HB2#) (residue 11 and name HG11) 0.0 1.8 4.98902 ! force: 0.0204584
assign (residue 7 and name HG11) (residue 11 and name HG11) 0.0 1.8 3.96971 ! force: 0.576196
assign (residue 7 and name HD11) (residue 11 and name HG11) 0.0 1.8 4.09746 ! force: 0.186229
assign (residue 7 and name HD12) (residue 11 and name HG11) 0.0 1.8 4.57044 ! force: 0.0793626
assign (residue 7 and name HE1) (residue 11 and name HG11) 0.0 1.8 4.48261 ! force: 0.507375
assign (residue 8 and name HA) (residue 11 and name HG11) 0.0 1.8 4.09116 ! force: 0.555852
assign (residue 7 and name HB2#) (residue 11 and name HG12) 0.0 1.8 3.45298 ! force: 0.0113408
assign (residue 7 and name HG11) (residue 11 and name HG12) 0.0 1.8 4.35032 ! force: 0.12352
assign (residue 7 and name HD11) (residue 11 and name HG12) 0.0 1.8 4.7159 ! force: 0.0263417
assign (residue 7 and name HE1) (residue 11 and name HG12) 0.0 1.8 4.35745 ! force: 0.0793082
assign (residue 8 and name HA) (residue 11 and name HG12) 0.0 1.8 4.21079 ! force: 0.092676
assign (residue 7 and name HD11) (residue 11 and name HD11) 0.0 1.8 4.08417 ! force: 0.0390518
assign (residue 7 and name HE1) (residue 11 and name HD11) 0.0 1.8 3.99789 ! force: 0.0541333
assign (residue 8 and name HA) (residue 11 and name HD11) 0.0 1.8 4.1988 ! force: 0.0841926
assign (residue 7 and name HE1) (residue 11 and name HD12) 0.0 1.8 3.9732 ! force: 0.0654445
assign (residue 8 and name HA) (residue 11 and name HD12) 0.0 1.8 4.54518 ! force: 0.19443
assign (residue 7 and name HG11) (residue 11 and name HE1) 0.0 1.8 4.75801 ! force: 0.586479
assign (residue 7 and name HG12) (residue 11 and name HE1) 0.0 1.8 4.5637 ! force: 0.0815777
assign (residue 7 and name HD11) (residue 11 and name HE1) 0.0 1.8 3.95972 ! force: 0.226025
assign (residue 7 and name HD12) (residue 11 and name HE1) 0.0 1.8 3.97838 ! force: 0.068345
assign (residue 7 and name HE1) (residue 11 and name HE1) 0.0 1.8 2.46047 ! force: 0.0863621
assign (residue 8 and name HA) (residue 11 and name HE1) 0.0 1.8 4.63866 ! force: 0.739927
assign (residue 8 and name HA) (residue 12 and name HN) 0.0 1.8 4.52767 ! force: 0.41231
assign (residue 9 and name HA) (residue 12 and name HN) 0.0 1.8 4.45027 ! force: 0.218829
assign (residue 10 and name HN) (residue 12 and name HN) 0.0 1.8 4.26451 ! force: 0.673205
assign (residue 10 and name HA) (residue 12 and name HN) 0.0 1.8 4.35888 ! force: 0.218723
assign (residue 10 and name HB#) (residue 12 and name HN) 0.0 1.8 4.63986 ! force: 0.0339354
assign (residue 10 and name HD1#) (residue 12 and name HN) 0.0 1.8 4.65997 ! force: 0.274757
assign (residue 10 and name HD2#) (residue 12 and name HN) 0.0 1.8 4.39544 ! force: 0.153969
assign (residue 8 and name HA) (residue 12 and name HB#) 0.0 1.8 4.81818 ! force: 0.653966
assign (residue 8 and name HB1) (residue 12 and name HB#) 0.0 1.8 4.74582 ! force: 0.153087
assign (residue 9 and name HN) (residue 12 and name HB#) 0.0 1.8 4.96435 ! force: 0.697984
assign (residue 9 and name HA) (residue 12 and name HB#) 0.0 1.8 3.84156 ! force: 0.288751
assign (residue 9 and name HG) (residue 12 and name HB#) 0.0 1.8 4.1728 ! force: 0.0580338
assign (residue 9 and name HD1#) (residue 12 and name HB#) 0.0 1.8 4.24868 ! force: 0.25994
assign (residue 9 and name HD2#) (residue 12 and name HB#) 0.0 1.8 4.47255 ! force: 0.253205
assign (residue 10 and name HN) (residue 12 and name HB#) 0.0 1.8 4.75652 ! force: 0.824686
assign (residue 10 and name HA) (residue 12 and name HB#) 0.0 1.8 4.89036 ! force: 0.286856
assign (residue 10 and name HN) (residue 13 and name HN) 0.0 1.8 4.9939 ! force: 0.669789
assign (residue 10 and name HA) (residue 13 and name HN) 0.0 1.8 4.33071 ! force: 0.218909
assign (residue 11 and name HN) (residue 13 and name HN) 0.0 1.8 4.82062 ! force: 0.752967
assign (residue 11 and name HB2#) (residue 13 and name HN) 0.0 1.8 4.13747 ! force: 0.202813
assign (residue 10 and name HD1#) (residue 13 and name HB#) 0.0 1.8 4.7942 ! force: 0.248931
assign (residue 11 and name HB2#) (residue 13 and name HB#) 0.0 1.8 3.90708 ! force: 0.0822497
! File: p149c_long-range.txt
! Description: long-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format.
! Note: the force value following each entry describes the individual weighting applied
!       to that restraint. This value is a measure of the confidence of the NOE distance
!       restraint assignment. Individual force constants are not available in X-PLOR/CNS.
! Disclaimer: these restraints have not been tested in either X-PLOR or CNS.


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           H1       ACE   0  10.152   2.770  -4.531
    2    H2   ACE   0           H2       ACE   0   9.920   3.749  -5.978
    3    H3   ACE   0           H3       ACE   0   9.820   1.989  -6.076
    4    H    GLU   1           HN       GLU   1   7.735   2.756  -7.163
    5    HA   GLU   1           HA       GLU   1   5.557   3.760  -5.630
    6    HB2  GLU   1           HB2      GLU   1   5.944   3.877  -8.153
    7    HB3  GLU   1           HB1      GLU   1   5.361   2.221  -8.226
    8    HG2  GLU   1           HG2      GLU   1   3.540   3.611  -8.781
    9    HG3  GLU   1           HG1      GLU   1   3.233   3.035  -7.140
   10    H    LYS   2           HN       LYS   2   7.016   0.787  -5.385
   11    HA   LYS   2           HA       LYS   2   4.801  -1.013  -5.274
   12    HB2  LYS   2           HB2      LYS   2   7.265  -1.544  -5.745
   13    HB3  LYS   2           HB1      LYS   2   7.482  -1.508  -3.998
   14    HG2  LYS   2           HG2      LYS   2   5.843  -3.311  -3.744
   15    HG3  LYS   2           HG1      LYS   2   5.597  -3.331  -5.495
   16    HD2  LYS   2           HD2      LYS   2   7.956  -3.927  -5.809
   17    HD3  LYS   2           HD1      LYS   2   8.179  -3.932  -4.060
   18    HE2  LYS   2           HE2      LYS   2   6.477  -5.708  -3.884
   19    HE3  LYS   2           HE1      LYS   2   6.343  -5.718  -5.639
   20    HZ1  LYS   2           HZ1      LYS   2   8.689  -6.504  -4.003
   21    HZ2  LYS   2           HZ2      LYS   2   8.782  -6.248  -5.674
   22    HZ3  LYS   2           HZ3      LYS   2   7.785  -7.471  -5.064
   23    H    HIS   3           HN       HIS   3   6.576   0.892  -2.839
   24    HA   HIS   3           HA       HIS   3   5.549  -0.367  -0.524
   25    HB2  HIS   3           HB2      HIS   3   7.685   1.050  -0.778
   26    HB3  HIS   3           HB1      HIS   3   6.634   2.452  -0.646
   27    HD1  HIS   3           HD1      HIS   3   4.952   2.036   1.688
   28    HD2  HIS   3           HD2      HIS   3   8.841   0.566   1.610
   29    HE1  HIS   3           HE1      HIS   3   5.583   1.682   4.092
   30    HE2  HIS   3           HE2      HIS   3   7.985   0.886   4.024
   31    H    LYS   4           HN       LYS   4   4.470   2.365  -2.513
   32    HA   LYS   4           HA       LYS   4   2.539   3.459  -0.750
   33    HB2  LYS   4           HB2      LYS   4   2.833   3.618  -3.746
   34    HB3  LYS   4           HB1      LYS   4   1.620   4.525  -2.838
   35    HG2  LYS   4           HG2      LYS   4   3.591   5.425  -1.482
   36    HG3  LYS   4           HG1      LYS   4   4.617   4.764  -2.752
   37    HD2  LYS   4           HD2      LYS   4   3.464   6.142  -4.422
   38    HD3  LYS   4           HD1      LYS   4   2.404   6.780  -3.159
   39    HE2  LYS   4           HE2      LYS   4   5.403   7.109  -3.261
   40    HE3  LYS   4           HE1      LYS   4   4.226   8.313  -3.762
   41    HZ1  LYS   4           HZ1      LYS   4   4.717   7.285  -1.034
   42    HZ2  LYS   4           HZ2      LYS   4   3.341   8.197  -1.426
   43    HZ3  LYS   4           HZ3      LYS   4   4.881   8.879  -1.585
   44    H    ILE   5           HN       ILE   5   2.288   1.074  -3.422
   45    HA   ILE   5           HA       ILE   5  -0.528   0.773  -3.354
   46    HB   ILE   5           HB       ILE   5   0.853   0.252  -5.346
   47   HG12  ILE   5          HG12      ILE   5  -0.255  -2.052  -5.888
   48   HG13  ILE   5          HG11      ILE   5  -1.081  -1.796  -4.352
   49   HG21  ILE   5          HG21      ILE   5   2.686  -0.989  -5.163
   50   HG22  ILE   5          HG22      ILE   5   1.622  -2.394  -5.158
   51   HG23  ILE   5          HG23      ILE   5   2.157  -1.693  -3.631
   52   HD11  ILE   5          HD11      ILE   5  -1.111   0.313  -6.492
   53   HD12  ILE   5          HD12      ILE   5  -2.229   0.067  -5.139
   54   HD13  ILE   5          HD13      ILE   5  -2.243  -1.048  -6.500
   55    H    LEU   6           HN       LEU   6   2.069  -1.053  -1.660
   56    HA   LEU   6           HA       LEU   6   0.492  -3.138  -0.570
   57    HB2  LEU   6           HB2      LEU   6   3.014  -3.004  -0.756
   58    HB3  LEU   6           HB1      LEU   6   2.986  -1.910   0.605
   59    HG   LEU   6           HG       LEU   6   1.741  -3.881   1.813
   60   HD11  LEU   6          HD11      LEU   6   2.241  -6.064   1.092
   61   HD12  LEU   6          HD12      LEU   6   3.335  -5.484  -0.163
   62   HD13  LEU   6          HD13      LEU   6   1.600  -5.217  -0.319
   63   HD21  LEU   6          HD21      LEU   6   4.147  -2.902   2.092
   64   HD22  LEU   6          HD22      LEU   6   4.624  -4.426   1.350
   65   HD23  LEU   6          HD23      LEU   6   3.701  -4.424   2.851
   66    H    MK8   7           H        MK8   7   1.522   0.035   0.772
   67    HB   MK8   7          HB11      MK8   7   0.905   2.219   1.364
   68    HBA  MK8   7          HB12      MK8   7   1.988   1.747   2.651
   69    HD   MK8   7          HD11      MK8   7  -1.394   2.976   2.236
   70    HDA  MK8   7          HD12      MK8   7  -0.449   4.404   1.932
   71    HE   MK8   7           HE1      MK8   7  -1.792   5.649   3.357
   72    HG   MK8   7          HG11      MK8   7   1.193   3.778   3.457
   73    HGA  MK8   7          HG12      MK8   7   0.126   2.641   4.271
   74    HB1  MK8   7          HB21      MK8   7  -0.029  -0.956   4.088
   75   HB1A  MK8   7          HB22      MK8   7   0.812   0.510   4.546
   76   HB1B  MK8   7          HB23      MK8   7   1.663  -0.739   3.635
   77    H    ARG   8           HN       ARG   8  -1.172   0.923   0.271
   78    HA   ARG   8           HA       ARG   8  -3.631   1.787   1.441
   79    HB2  ARG   8           HB2      ARG   8  -2.888   1.129  -1.411
   80    HB3  ARG   8           HB1      ARG   8  -4.450   1.790  -0.936
   81    HG2  ARG   8           HG2      ARG   8  -3.234   3.759   0.009
   82    HG3  ARG   8           HG1      ARG   8  -1.747   3.099  -0.688
   83    HD2  ARG   8           HD2      ARG   8  -2.865   3.137  -2.922
   84    HD3  ARG   8           HD1      ARG   8  -4.241   3.937  -2.163
   85    HE   ARG   8           HE       ARG   8  -1.923   5.424  -1.594
   86   HH11  ARG   8          HH11      ARG   8  -3.935   4.769  -4.466
   87   HH12  ARG   8          HH12      ARG   8  -3.514   6.269  -5.222
   88   HH21  ARG   8          HH21      ARG   8  -1.409   7.341  -2.669
   89   HH22  ARG   8          HH22      ARG   8  -2.067   7.697  -4.237
   90    H    LEU   9           HN       LEU   9  -2.650  -1.313  -0.002
   91    HA   LEU   9           HA       LEU   9  -5.211  -2.460  -0.268
   92    HB2  LEU   9           HB2      LEU   9  -3.042  -3.200  -1.396
   93    HB3  LEU   9           HB1      LEU   9  -2.646  -3.998   0.104
   94    HG   LEU   9           HG       LEU   9  -5.013  -5.138  -0.261
   95   HD11  LEU   9          HD11      LEU   9  -5.308  -5.618  -2.708
   96   HD12  LEU   9          HD12      LEU   9  -4.186  -4.289  -3.035
   97   HD13  LEU   9          HD13      LEU   9  -5.715  -3.972  -2.215
   98   HD21  LEU   9          HD21      LEU   9  -2.731  -6.211  -0.135
   99   HD22  LEU   9          HD22      LEU   9  -2.626  -6.019  -1.878
  100   HD23  LEU   9          HD23      LEU   9  -3.888  -7.030  -1.178
  101    H    LEU  10           HN       LEU  10  -2.823  -2.333   2.330
  102    HA   LEU  10           HA       LEU  10  -4.061  -4.264   4.044
  103    HB2  LEU  10           HB2      LEU  10  -1.611  -3.771   3.968
  104    HB3  LEU  10           HB1      LEU  10  -1.942  -2.196   4.666
  105    HG   LEU  10           HG       LEU  10  -2.966  -3.595   6.644
  106   HD11  LEU  10          HD11      LEU  10  -2.544  -5.727   5.179
  107   HD12  LEU  10          HD12      LEU  10  -2.268  -5.768   6.925
  108   HD13  LEU  10          HD13      LEU  10  -0.910  -5.592   5.818
  109   HD21  LEU  10          HD21      LEU  10  -0.054  -3.193   6.043
  110   HD22  LEU  10          HD22      LEU  10  -0.632  -3.771   7.608
  111   HD23  LEU  10          HD23      LEU  10  -1.132  -2.195   7.010
  112    H    MK8  11           H        MK8  11  -3.459  -0.771   4.926
  113    HB   MK8  11          HB11      MK8  11  -3.513   1.034   6.883
  114    HBA  MK8  11          HB12      MK8  11  -5.060   1.861   6.855
  115    HD   MK8  11          HD11      MK8  11  -1.876   2.138   4.828
  116    HDA  MK8  11          HD12      MK8  11  -2.532   2.809   6.306
  117    HE   MK8  11           HE1      MK8  11  -3.111   4.952   5.146
  118    HG   MK8  11          HG11      MK8  11  -4.758   2.659   4.754
  119    HGA  MK8  11          HG12      MK8  11  -3.838   1.252   4.234
  120    HB1  MK8  11          HB21      MK8  11  -4.446  -0.386   8.121
  121   HB1A  MK8  11          HB22      MK8  11  -5.314  -1.773   7.464
  122   HB1B  MK8  11          HB23      MK8  11  -6.207  -0.340   7.950
  123    H    ASP  12           HN       ASP  12  -6.189  -1.125   3.931
  124    HA   ASP  12           HA       ASP  12  -8.416   0.606   3.526
  125    HB2  ASP  12           HB2      ASP  12  -7.297  -0.668   1.717
  126    HB3  ASP  12           HB1      ASP  12  -7.945  -2.161   2.379
  127    H    SER  13           HN       SER  13  -7.964  -2.534   5.093
  128    HA   SER  13           HA       SER  13 -10.724  -3.139   5.565
  129    HB2  SER  13           HB2      SER  13  -9.050  -4.941   5.490
  130    HB3  SER  13           HB1      SER  13  -8.247  -4.249   6.896
  131    HG   SER  13           HG       SER  13 -10.925  -5.165   6.883
  132    HN1  NH2  14           HN1      NH2  14  -8.140  -1.682   7.479
  133    HN2  NH2  14           HN2      NH2  14  -9.157  -1.117   8.769
  Start of MODEL    2
    1    H1   ACE   0           H1       ACE   0   9.902   2.060  -6.508
    2    H2   ACE   0           H2       ACE   0  10.202   1.658  -4.818
    3    H3   ACE   0           H3       ACE   0  10.299   3.332  -5.356
    4    H    GLU   1           HN       GLU   1   7.884   2.438  -7.161
    5    HA   GLU   1           HA       GLU   1   5.804   3.612  -5.625
    6    HB2  GLU   1           HB2      GLU   1   6.162   3.658  -8.152
    7    HB3  GLU   1           HB1      GLU   1   5.410   2.082  -8.182
    8    HG2  GLU   1           HG2      GLU   1   3.735   3.635  -8.725
    9    HG3  GLU   1           HG1      GLU   1   3.413   3.114  -7.079
   10    H    LYS   2           HN       LYS   2   7.011   0.501  -5.423
   11    HA   LYS   2           HA       LYS   2   4.655  -1.084  -5.266
   12    HB2  LYS   2           HB2      LYS   2   7.034  -1.849  -5.820
   13    HB3  LYS   2           HB1      LYS   2   7.340  -1.810  -4.088
   14    HG2  LYS   2           HG2      LYS   2   5.553  -3.452  -3.743
   15    HG3  LYS   2           HG1      LYS   2   5.255  -3.520  -5.482
   16    HD2  LYS   2           HD2      LYS   2   7.554  -4.325  -5.831
   17    HD3  LYS   2           HD1      LYS   2   7.838  -4.269  -4.091
   18    HE2  LYS   2           HE2      LYS   2   5.740  -5.958  -5.449
   19    HE3  LYS   2           HE1      LYS   2   7.315  -6.534  -4.908
   20    HZ1  LYS   2           HZ1      LYS   2   5.307  -6.857  -3.376
   21    HZ2  LYS   2           HZ2      LYS   2   5.478  -5.213  -3.021
   22    HZ3  LYS   2           HZ3      LYS   2   6.746  -6.286  -2.692
   23    H    HIS   3           HN       HIS   3   6.576   0.692  -2.865
   24    HA   HIS   3           HA       HIS   3   5.504  -0.525  -0.508
   25    HB2  HIS   3           HB2      HIS   3   7.727   0.743  -0.784
   26    HB3  HIS   3           HB1      HIS   3   6.788   2.215  -0.668
   27    HD1  HIS   3           HD1      HIS   3   5.138   2.090   1.698
   28    HD2  HIS   3           HD2      HIS   3   8.799   0.075   1.594
   29    HE1  HIS   3           HE1      HIS   3   5.781   1.704   4.103
   30    HE2  HIS   3           HE2      HIS   3   8.000   0.526   4.006
   31    H    LYS   4           HN       LYS   4   4.568   2.222  -2.505
   32    HA   LYS   4           HA       LYS   4   2.692   3.402  -0.729
   33    HB2  LYS   4           HB2      LYS   4   2.951   3.621  -3.716
   34    HB3  LYS   4           HB1      LYS   4   1.868   4.606  -2.744
   35    HG2  LYS   4           HG2      LYS   4   3.917   5.354  -1.454
   36    HG3  LYS   4           HG1      LYS   4   4.874   4.584  -2.719
   37    HD2  LYS   4           HD2      LYS   4   3.815   6.019  -4.395
   38    HD3  LYS   4           HD1      LYS   4   2.861   6.800  -3.122
   39    HE2  LYS   4           HE2      LYS   4   4.917   7.582  -2.055
   40    HE3  LYS   4           HE1      LYS   4   5.867   6.788  -3.308
   41    HZ1  LYS   4           HZ1      LYS   4   5.746   8.720  -4.362
   42    HZ2  LYS   4           HZ2      LYS   4   4.497   9.304  -3.382
   43    HZ3  LYS   4           HZ3      LYS   4   4.140   8.321  -4.717
   44    H    ILE   5           HN       ILE   5   2.289   1.062  -3.437
   45    HA   ILE   5           HA       ILE   5  -0.516   0.953  -3.316
   46    HB   ILE   5           HB       ILE   5   0.777   0.366  -5.344
   47   HG12  ILE   5          HG12      ILE   5  -0.475  -1.855  -5.919
   48   HG13  ILE   5          HG11      ILE   5  -1.253  -1.626  -4.358
   49   HG21  ILE   5          HG21      ILE   5   2.244  -1.389  -3.754
   50   HG22  ILE   5          HG22      ILE   5   2.386  -1.127  -5.490
   51   HG23  ILE   5          HG23      ILE   5   1.340  -2.409  -4.880
   52   HD11  ILE   5          HD11      ILE   5  -1.492  -0.027  -6.846
   53   HD12  ILE   5          HD12      ILE   5  -1.749   0.769  -5.291
   54   HD13  ILE   5          HD13      ILE   5  -2.743  -0.618  -5.762
   55    H    LEU   6           HN       LEU   6   1.983  -1.022  -1.682
   56    HA   LEU   6           HA       LEU   6   0.310  -3.048  -0.623
   57    HB2  LEU   6           HB2      LEU   6   2.862  -3.009  -0.766
   58    HB3  LEU   6           HB1      LEU   6   2.846  -1.977   0.648
   59    HG   LEU   6           HG       LEU   6   1.495  -3.977   1.694
   60   HD11  LEU   6          HD11      LEU   6   2.976  -5.278  -0.573
   61   HD12  LEU   6          HD12      LEU   6   1.249  -5.372  -0.225
   62   HD13  LEU   6          HD13      LEU   6   2.418  -6.142   0.853
   63   HD21  LEU   6          HD21      LEU   6   4.358  -4.637   1.405
   64   HD22  LEU   6          HD22      LEU   6   3.391  -4.422   2.865
   65   HD23  LEU   6          HD23      LEU   6   3.988  -3.012   1.986
   66    H    MK8   7           H        MK8   7   1.625  -0.072   0.890
   67    HB   MK8   7          HB11      MK8   7   1.367   2.104   1.571
   68    HBA  MK8   7          HB12      MK8   7   2.106   1.557   3.062
   69    HD   MK8   7          HD11      MK8   7   1.202   2.694   5.396
   70    HDA  MK8   7          HD12      MK8   7  -0.261   1.899   4.946
   71    HE   MK8   7           HE1      MK8   7  -0.082   4.873   5.802
   72    HG   MK8   7          HG11      MK8   7  -0.269   3.413   2.872
   73    HGA  MK8   7          HG12      MK8   7   1.365   3.825   3.327
   74    HB1  MK8   7          HB21      MK8   7   0.388   0.281   4.679
   75   HB1A  MK8   7          HB22      MK8   7   1.718  -0.542   3.867
   76   HB1B  MK8   7          HB23      MK8   7   0.114  -1.264   3.864
   77    H    ARG   8           HN       ARG   8  -1.046   1.036   0.329
   78    HA   ARG   8           HA       ARG   8  -3.422   2.110   1.451
   79    HB2  ARG   8           HB2      ARG   8  -2.731   1.408  -1.385
   80    HB3  ARG   8           HB1      ARG   8  -4.209   2.247  -0.910
   81    HG2  ARG   8           HG2      ARG   8  -2.764   3.992   0.134
   82    HG3  ARG   8           HG1      ARG   8  -1.378   3.210  -0.637
   83    HD2  ARG   8           HD2      ARG   8  -2.458   3.507  -2.831
   84    HD3  ARG   8           HD1      ARG   8  -3.805   4.308  -2.031
   85    HE   ARG   8           HE       ARG   8  -1.455   5.658  -1.357
   86   HH11  ARG   8          HH11      ARG   8  -3.365   5.252  -4.325
   87   HH12  ARG   8          HH12      ARG   8  -2.840   6.762  -4.995
   88   HH21  ARG   8          HH21      ARG   8  -0.771   7.573  -2.321
   89   HH22  ARG   8          HH22      ARG   8  -1.369   8.063  -3.869
   90    H    LEU   9           HN       LEU   9  -2.740  -1.082   0.010
   91    HA   LEU   9           HA       LEU   9  -5.431  -1.978  -0.184
   92    HB2  LEU   9           HB2      LEU   9  -3.421  -2.922  -1.418
   93    HB3  LEU   9           HB1      LEU   9  -2.941  -3.684   0.082
   94    HG   LEU   9           HG       LEU   9  -5.311  -4.791  -0.006
   95   HD11  LEU   9          HD11      LEU   9  -5.963  -3.359  -2.015
   96   HD12  LEU   9          HD12      LEU   9  -6.304  -5.090  -2.113
   97   HD13  LEU   9          HD13      LEU   9  -4.912  -4.418  -2.959
   98   HD21  LEU   9          HD21      LEU   9  -2.992  -5.834  -0.275
   99   HD22  LEU   9          HD22      LEU   9  -3.305  -5.768  -2.009
  100   HD23  LEU   9          HD23      LEU   9  -4.371  -6.709  -0.957
  101    H    LEU  10           HN       LEU  10  -3.019  -1.863   2.321
  102    HA   LEU  10           HA       LEU  10  -4.161  -3.713   4.173
  103    HB2  LEU  10           HB2      LEU  10  -1.732  -2.995   4.018
  104    HB3  LEU  10           HB1      LEU  10  -2.203  -1.475   4.758
  105    HG   LEU  10           HG       LEU  10  -3.106  -3.032   6.680
  106   HD11  LEU  10          HD11      LEU  10  -0.968  -4.830   6.519
  107   HD12  LEU  10          HD12      LEU  10  -1.831  -4.926   4.985
  108   HD13  LEU  10          HD13      LEU  10  -2.691  -5.179   6.508
  109   HD21  LEU  10          HD21      LEU  10  -0.210  -3.024   6.895
  110   HD22  LEU  10          HD22      LEU  10  -1.424  -2.172   7.851
  111   HD23  LEU  10          HD23      LEU  10  -0.862  -1.495   6.320
  112    H    MK8  11           H        MK8  11  -3.832  -0.072   4.461
  113    HB   MK8  11          HB11      MK8  11  -5.492   2.655   6.211
  114    HBA  MK8  11          HB12      MK8  11  -5.895   2.320   4.554
  115    HD   MK8  11          HD11      MK8  11  -2.192   1.641   6.042
  116    HDA  MK8  11          HD12      MK8  11  -3.355   2.535   7.001
  117    HE   MK8  11           HE1      MK8  11  -2.230   4.655   6.637
  118    HG   MK8  11          HG11      MK8  11  -3.856   3.429   4.447
  119    HGA  MK8  11          HG12      MK8  11  -3.434   1.729   4.229
  120    HB1  MK8  11          HB21      MK8  11  -4.861  -0.623   7.407
  121   HB1A  MK8  11          HB22      MK8  11  -6.069   0.609   7.795
  122   HB1B  MK8  11          HB23      MK8  11  -4.395   1.075   7.499
  123    H    ASP  12           HN       ASP  12  -6.496  -0.672   3.717
  124    HA   ASP  12           HA       ASP  12  -9.171   0.240   3.696
  125    HB2  ASP  12           HB2      ASP  12  -7.888  -0.646   1.724
  126    HB3  ASP  12           HB1      ASP  12  -8.068  -2.269   2.379
  127    H    SER  13           HN       SER  13  -7.723  -2.845   4.768
  128    HA   SER  13           HA       SER  13 -10.169  -4.060   5.620
  129    HB2  SER  13           HB2      SER  13  -7.310  -4.799   6.302
  130    HB3  SER  13           HB1      SER  13  -8.731  -5.806   6.581
  131    HG   SER  13           HG       SER  13  -9.015  -5.406   4.153
  132    HN1  NH2  14           HN1      NH2  14  -7.552  -2.371   7.261
  133    HN2  NH2  14           HN2      NH2  14  -8.352  -2.189   8.782
  Start of MODEL    3
    1    H1   ACE   0           H1       ACE   0   9.213   1.762  -8.583
    2    H2   ACE   0           H2       ACE   0   7.922   2.754  -9.264
    3    H3   ACE   0           H3       ACE   0   7.714   1.008  -9.139
    4    H    GLU   1           HN       GLU   1   5.793   2.704  -8.092
    5    HA   GLU   1           HA       GLU   1   6.124   3.279  -5.316
    6    HB2  GLU   1           HB2      GLU   1   3.695   3.269  -7.134
    7    HB3  GLU   1           HB1      GLU   1   3.627   3.766  -5.456
    8    HG2  GLU   1           HG2      GLU   1   3.743   5.729  -6.764
    9    HG3  GLU   1           HG1      GLU   1   5.314   5.535  -5.986
   10    H    LYS   2           HN       LYS   2   7.017   1.084  -4.905
   11    HA   LYS   2           HA       LYS   2   5.388  -1.245  -4.792
   12    HB2  LYS   2           HB2      LYS   2   7.918  -1.102  -5.106
   13    HB3  LYS   2           HB1      LYS   2   8.019  -0.822  -3.372
   14    HG2  LYS   2           HG2      LYS   2   6.934  -3.003  -2.976
   15    HG3  LYS   2           HG1      LYS   2   6.879  -3.271  -4.720
   16    HD2  LYS   2           HD2      LYS   2   9.302  -3.207  -4.827
   17    HD3  LYS   2           HD1      LYS   2   9.389  -2.871  -3.098
   18    HE2  LYS   2           HE2      LYS   2   8.309  -5.032  -2.644
   19    HE3  LYS   2           HE1      LYS   2   8.268  -5.357  -4.373
   20    HZ1  LYS   2           HZ1      LYS   2  10.763  -5.038  -4.288
   21    HZ2  LYS   2           HZ2      LYS   2  10.143  -6.457  -3.594
   22    HZ3  LYS   2           HZ3      LYS   2  10.628  -5.171  -2.601
   23    H    HIS   3           HN       HIS   3   6.932   0.720  -2.161
   24    HA   HIS   3           HA       HIS   3   5.501  -0.584  -0.077
   25    HB2  HIS   3           HB2      HIS   3   6.489   1.155   1.415
   26    HB3  HIS   3           HB1      HIS   3   7.647   0.239   0.481
   27    HD1  HIS   3           HD1      HIS   3   8.315   1.636  -1.908
   28    HD2  HIS   3           HD2      HIS   3   7.118   3.772   1.450
   29    HE1  HIS   3           HE1      HIS   3   9.220   3.969  -2.230
   30    HE2  HIS   3           HE2      HIS   3   8.500   5.224  -0.166
   31    H    LYS   4           HN       LYS   4   4.825   2.270  -1.982
   32    HA   LYS   4           HA       LYS   4   2.858   3.483  -0.324
   33    HB2  LYS   4           HB2      LYS   4   3.358   3.702  -3.287
   34    HB3  LYS   4           HB1      LYS   4   2.131   4.625  -2.443
   35    HG2  LYS   4           HG2      LYS   4   3.928   5.515  -0.948
   36    HG3  LYS   4           HG1      LYS   4   5.097   4.775  -2.039
   37    HD2  LYS   4           HD2      LYS   4   4.243   6.094  -3.885
   38    HD3  LYS   4           HD1      LYS   4   3.018   6.790  -2.829
   39    HE2  LYS   4           HE2      LYS   4   6.000   7.082  -2.434
   40    HE3  LYS   4           HE1      LYS   4   4.958   8.300  -3.172
   41    HZ1  LYS   4           HZ1      LYS   4   4.055   7.383  -0.589
   42    HZ2  LYS   4           HZ2      LYS   4   4.203   8.958  -1.193
   43    HZ3  LYS   4           HZ3      LYS   4   5.548   8.173  -0.548
   44    H    ILE   5           HN       ILE   5   2.624   1.177  -3.123
   45    HA   ILE   5           HA       ILE   5  -0.199   1.107  -3.173
   46    HB   ILE   5           HB       ILE   5   1.181   0.588  -5.136
   47   HG12  ILE   5          HG12      ILE   5  -0.040  -1.600  -5.844
   48   HG13  ILE   5          HG11      ILE   5  -0.901  -1.387  -4.321
   49   HG21  ILE   5          HG21      ILE   5   1.963  -1.893  -3.672
   50   HG22  ILE   5          HG22      ILE   5   2.985  -0.685  -4.430
   51   HG23  ILE   5          HG23      ILE   5   2.035  -1.788  -5.429
   52   HD11  ILE   5          HD11      ILE   5  -2.067  -0.455  -6.310
   53   HD12  ILE   5          HD12      ILE   5  -0.745   0.705  -6.476
   54   HD13  ILE   5          HD13      ILE   5  -1.761   0.722  -5.028
   55    H    LEU   6           HN       LEU   6   2.181  -0.936  -1.469
   56    HA   LEU   6           HA       LEU   6   0.418  -2.974  -0.539
   57    HB2  LEU   6           HB2      LEU   6   2.961  -2.981  -0.607
   58    HB3  LEU   6           HB1      LEU   6   2.908  -2.001   0.842
   59    HG   LEU   6           HG       LEU   6   1.444  -3.972   1.780
   60   HD11  LEU   6          HD11      LEU   6   1.270  -5.216  -0.308
   61   HD12  LEU   6          HD12      LEU   6   2.147  -6.156   0.906
   62   HD13  LEU   6          HD13      LEU   6   3.027  -5.342  -0.384
   63   HD21  LEU   6          HD21      LEU   6   3.501  -5.044   2.583
   64   HD22  LEU   6          HD22      LEU   6   3.557  -3.287   2.715
   65   HD23  LEU   6          HD23      LEU   6   4.420  -4.110   1.411
   66    H    MK8   7           H        MK8   7   1.623   0.009   1.102
   67    HB   MK8   7          HB11      MK8   7   1.067   2.239   1.790
   68    HBA  MK8   7          HB12      MK8   7   2.104   1.564   3.020
   69    HD   MK8   7          HD11      MK8   7  -1.081   3.134   2.583
   70    HDA  MK8   7          HD12      MK8   7  -0.063   4.546   2.619
   71    HE   MK8   7           HE1      MK8   7  -1.097   5.261   4.845
   72    HG   MK8   7          HG11      MK8   7   1.467   3.545   4.007
   73    HGA  MK8   7          HG12      MK8   7   0.268   2.457   4.694
   74    HB1  MK8   7          HB21      MK8   7  -0.071  -0.037   4.810
   75   HB1A  MK8   7          HB22      MK8   7   1.588  -0.313   4.278
   76   HB1B  MK8   7          HB23      MK8   7   0.310  -1.441   3.808
   77    H    ARG   8           HN       ARG   8  -0.960   1.093   0.459
   78    HA   ARG   8           HA       ARG   8  -3.431   2.109   1.463
   79    HB2  ARG   8           HB2      ARG   8  -2.545   1.489  -1.336
   80    HB3  ARG   8           HB1      ARG   8  -4.075   2.261  -0.936
   81    HG2  ARG   8           HG2      ARG   8  -2.806   4.088   0.174
   82    HG3  ARG   8           HG1      ARG   8  -1.313   3.337  -0.410
   83    HD2  ARG   8           HD2      ARG   8  -2.123   3.531  -2.702
   84    HD3  ARG   8           HD1      ARG   8  -3.588   4.325  -2.135
   85    HE   ARG   8           HE       ARG   8  -1.308   5.725  -1.191
   86   HH11  ARG   8          HH11      ARG   8  -3.028   5.320  -4.312
   87   HH12  ARG   8          HH12      ARG   8  -2.521   6.868  -4.886
   88   HH21  ARG   8          HH21      ARG   8  -0.668   7.711  -2.054
   89   HH22  ARG   8          HH22      ARG   8  -1.190   8.210  -3.629
   90    H    LEU   9           HN       LEU   9  -2.647  -1.038  -0.075
   91    HA   LEU   9           HA       LEU   9  -5.335  -1.905  -0.451
   92    HB2  LEU   9           HB2      LEU   9  -3.195  -2.789  -1.575
   93    HB3  LEU   9           HB1      LEU   9  -2.915  -3.673  -0.087
   94    HG   LEU   9           HG       LEU   9  -5.318  -4.637  -0.541
   95   HD11  LEU   9          HD11      LEU   9  -6.239  -4.262  -2.523
   96   HD12  LEU   9          HD12      LEU   9  -4.753  -4.692  -3.369
   97   HD13  LEU   9          HD13      LEU   9  -5.006  -3.038  -2.795
   98   HD21  LEU   9          HD21      LEU   9  -3.524  -5.918  -2.421
   99   HD22  LEU   9          HD22      LEU   9  -4.181  -6.519  -0.907
  100   HD23  LEU   9          HD23      LEU   9  -2.720  -5.532  -0.896
  101    H    LEU  10           HN       LEU  10  -3.013  -2.036   2.188
  102    HA   LEU  10           HA       LEU  10  -4.358  -3.961   3.830
  103    HB2  LEU  10           HB2      LEU  10  -1.874  -3.416   3.795
  104    HB3  LEU  10           HB1      LEU  10  -2.268  -1.950   4.666
  105    HG   LEU  10           HG       LEU  10  -3.338  -3.571   6.430
  106   HD11  LEU  10          HD11      LEU  10  -2.407  -5.757   6.565
  107   HD12  LEU  10          HD12      LEU  10  -1.341  -5.463   5.186
  108   HD13  LEU  10          HD13      LEU  10  -3.085  -5.571   4.955
  109   HD21  LEU  10          HD21      LEU  10  -1.314  -3.584   7.656
  110   HD22  LEU  10          HD22      LEU  10  -1.291  -2.128   6.663
  111   HD23  LEU  10          HD23      LEU  10  -0.342  -3.538   6.188
  112    H    MK8  11           H        MK8  11  -3.737  -0.426   4.429
  113    HB   MK8  11          HB11      MK8  11  -3.648   1.616   5.664
  114    HBA  MK8  11          HB12      MK8  11  -5.116   2.310   6.296
  115    HD   MK8  11          HD11      MK8  11  -4.076   3.628   2.661
  116    HDA  MK8  11          HD12      MK8  11  -3.066   2.383   3.315
  117    HE   MK8  11           HE1      MK8  11  -3.393   4.834   5.093
  118    HG   MK8  11          HG11      MK8  11  -5.710   3.241   4.376
  119    HGA  MK8  11          HG12      MK8  11  -5.341   1.803   3.459
  120    HB1  MK8  11          HB21      MK8  11  -4.248  -0.708   7.266
  121   HB1A  MK8  11          HB22      MK8  11  -5.989  -0.635   7.548
  122   HB1B  MK8  11          HB23      MK8  11  -5.000   0.818   7.734
  123    H    ASP  12           HN       ASP  12  -6.485  -0.826   3.638
  124    HA   ASP  12           HA       ASP  12  -9.031   0.406   3.599
  125    HB2  ASP  12           HB2      ASP  12  -7.873  -0.561   1.609
  126    HB3  ASP  12           HB1      ASP  12  -8.123  -2.174   2.277
  127    H    SER  13           HN       SER  13  -7.896  -2.768   4.684
  128    HA   SER  13           HA       SER  13 -10.444  -3.796   5.517
  129    HB2  SER  13           HB2      SER  13  -7.651  -4.744   6.237
  130    HB3  SER  13           HB1      SER  13  -9.150  -5.661   6.467
  131    HG   SER  13           HG       SER  13  -8.931  -4.785   3.930
  132    HN1  NH2  14           HN1      NH2  14  -7.622  -2.447   7.187
  133    HN2  NH2  14           HN2      NH2  14  -8.425  -2.145   8.689
  Start of MODEL    4
    1    H1   ACE   0           H1       ACE   0   9.931   3.583  -5.809
    2    H2   ACE   0           H2       ACE   0   9.707   1.926  -6.391
    3    H3   ACE   0           H3       ACE   0  10.103   2.214  -4.697
    4    H    GLU   1           HN       GLU   1   7.634   2.581  -7.189
    5    HA   GLU   1           HA       GLU   1   5.509   3.560  -5.565
    6    HB2  GLU   1           HB2      GLU   1   5.824   3.759  -8.101
    7    HB3  GLU   1           HB1      GLU   1   5.220   2.117  -8.197
    8    HG2  GLU   1           HG2      GLU   1   3.399   3.555  -8.653
    9    HG3  GLU   1           HG1      GLU   1   3.135   2.890  -7.046
   10    H    LYS   2           HN       LYS   2   6.928   0.547  -5.434
   11    HA   LYS   2           HA       LYS   2   4.677  -1.212  -5.319
   12    HB2  LYS   2           HB2      LYS   2   7.118  -1.783  -5.878
   13    HB3  LYS   2           HB1      LYS   2   7.417  -1.740  -4.153
   14    HG2  LYS   2           HG2      LYS   2   5.687  -3.500  -3.849
   15    HG3  LYS   2           HG1      LYS   2   5.543  -3.598  -5.607
   16    HD2  LYS   2           HD2      LYS   2   7.923  -4.190  -5.763
   17    HD3  LYS   2           HD1      LYS   2   8.062  -4.099  -4.010
   18    HE2  LYS   2           HE2      LYS   2   7.831  -6.408  -4.674
   19    HE3  LYS   2           HE1      LYS   2   6.372  -5.888  -3.807
   20    HZ1  LYS   2           HZ1      LYS   2   5.849  -7.194  -5.778
   21    HZ2  LYS   2           HZ2      LYS   2   6.643  -6.069  -6.765
   22    HZ3  LYS   2           HZ3      LYS   2   5.249  -5.615  -5.913
   23    H    HIS   3           HN       HIS   3   6.645   0.503  -2.859
   24    HA   HIS   3           HA       HIS   3   5.486  -0.759  -0.567
   25    HB2  HIS   3           HB2      HIS   3   7.784   0.359  -0.717
   26    HB3  HIS   3           HB1      HIS   3   6.946   1.892  -0.576
   27    HD1  HIS   3           HD1      HIS   3   5.262   1.858   1.740
   28    HD2  HIS   3           HD2      HIS   3   8.680  -0.498   1.666
   29    HE1  HIS   3           HE1      HIS   3   5.804   1.402   4.138
   30    HE2  HIS   3           HE2      HIS   3   7.857  -0.068   4.078
   31    H    LYS   4           HN       LYS   4   4.696   2.053  -2.516
   32    HA   LYS   4           HA       LYS   4   2.894   3.333  -0.738
   33    HB2  LYS   4           HB2      LYS   4   3.147   3.480  -3.729
   34    HB3  LYS   4           HB1      LYS   4   2.070   4.498  -2.785
   35    HG2  LYS   4           HG2      LYS   4   3.993   5.424  -1.592
   36    HG3  LYS   4           HG1      LYS   4   5.067   4.406  -2.550
   37    HD2  LYS   4           HD2      LYS   4   4.433   5.539  -4.559
   38    HD3  LYS   4           HD1      LYS   4   3.196   6.457  -3.692
   39    HE2  LYS   4           HE2      LYS   4   4.926   7.550  -2.365
   40    HE3  LYS   4           HE1      LYS   4   6.165   6.627  -3.211
   41    HZ1  LYS   4           HZ1      LYS   4   6.114   8.690  -4.244
   42    HZ2  LYS   4           HZ2      LYS   4   4.425   8.763  -4.265
   43    HZ3  LYS   4           HZ3      LYS   4   5.237   7.700  -5.297
   44    H    ILE   5           HN       ILE   5   2.377   0.983  -3.417
   45    HA   ILE   5           HA       ILE   5  -0.441   0.989  -3.309
   46    HB   ILE   5           HB       ILE   5   0.822   0.279  -5.327
   47   HG12  ILE   5          HG12      ILE   5  -0.533  -1.888  -5.813
   48   HG13  ILE   5          HG11      ILE   5  -1.276  -1.578  -4.257
   49   HG21  ILE   5          HG21      ILE   5   1.967  -1.689  -5.631
   50   HG22  ILE   5          HG22      ILE   5   1.281  -2.437  -4.201
   51   HG23  ILE   5          HG23      ILE   5   2.501  -1.175  -4.029
   52   HD11  ILE   5          HD11      ILE   5  -2.205   0.463  -4.995
   53   HD12  ILE   5          HD12      ILE   5  -2.510  -0.713  -6.275
   54   HD13  ILE   5          HD13      ILE   5  -1.209   0.466  -6.446
   55    H    LEU   6           HN       LEU   6   1.967  -1.042  -1.624
   56    HA   LEU   6           HA       LEU   6   0.186  -2.940  -0.501
   57    HB2  LEU   6           HB2      LEU   6   2.717  -3.091  -0.677
   58    HB3  LEU   6           HB1      LEU   6   2.799  -2.023   0.693
   59    HG   LEU   6           HG       LEU   6   1.336  -3.859   1.883
   60   HD11  LEU   6          HD11      LEU   6   1.479  -5.074  -0.552
   61   HD12  LEU   6          HD12      LEU   6   1.140  -5.885   0.978
   62   HD13  LEU   6          HD13      LEU   6   2.776  -5.874   0.323
   63   HD21  LEU   6          HD21      LEU   6   3.832  -5.123   1.859
   64   HD22  LEU   6          HD22      LEU   6   3.243  -3.914   3.001
   65   HD23  LEU   6          HD23      LEU   6   4.150  -3.408   1.578
   66    H    MK8   7           H        MK8   7   1.572   0.109   0.881
   67    HB   MK8   7          HB11      MK8   7   1.074   2.370   1.484
   68    HBA  MK8   7          HB12      MK8   7   2.194   1.746   2.675
   69    HD   MK8   7          HD11      MK8   7  -1.129   3.302   2.569
   70    HDA  MK8   7          HD12      MK8   7  -0.079   4.642   2.197
   71    HE   MK8   7           HE1      MK8   7  -0.618   5.755   4.390
   72    HG   MK8   7          HG11      MK8   7   1.618   3.846   3.549
   73    HGA  MK8   7          HG12      MK8   7   0.580   2.768   4.431
   74    HB1  MK8   7          HB21      MK8   7   0.946  -1.150   3.659
   75   HB1A  MK8   7          HB22      MK8   7  -0.136  -0.086   4.563
   76   HB1B  MK8   7          HB23      MK8   7   1.550   0.362   4.343
   77    H    ARG   8           HN       ARG   8  -1.015   1.121   0.359
   78    HA   ARG   8           HA       ARG   8  -3.414   2.248   1.453
   79    HB2  ARG   8           HB2      ARG   8  -2.753   1.445  -1.383
   80    HB3  ARG   8           HB1      ARG   8  -4.206   2.315  -0.906
   81    HG2  ARG   8           HG2      ARG   8  -2.691   4.074   0.074
   82    HG3  ARG   8           HG1      ARG   8  -1.355   3.255  -0.737
   83    HD2  ARG   8           HD2      ARG   8  -2.566   3.525  -2.900
   84    HD3  ARG   8           HD1      ARG   8  -3.793   4.465  -2.048
   85    HE   ARG   8           HE       ARG   8  -1.331   5.630  -1.500
   86   HH11  ARG   8          HH11      ARG   8  -3.389   5.280  -4.413
   87   HH12  ARG   8          HH12      ARG   8  -2.741   6.702  -5.163
   88   HH21  ARG   8          HH21      ARG   8  -0.547   7.482  -2.546
   89   HH22  ARG   8          HH22      ARG   8  -1.146   7.946  -4.109
   90    H    LEU   9           HN       LEU   9  -2.715  -0.975   0.057
   91    HA   LEU   9           HA       LEU   9  -5.388  -1.883  -0.104
   92    HB2  LEU   9           HB2      LEU   9  -3.302  -2.804  -1.283
   93    HB3  LEU   9           HB1      LEU   9  -2.977  -3.656   0.205
   94    HG   LEU   9           HG       LEU   9  -5.450  -4.522  -0.133
   95   HD11  LEU   9          HD11      LEU   9  -4.650  -4.368  -2.998
   96   HD12  LEU   9          HD12      LEU   9  -5.557  -3.048  -2.245
   97   HD13  LEU   9          HD13      LEU   9  -6.230  -4.681  -2.279
   98   HD21  LEU   9          HD21      LEU   9  -3.107  -5.626  -1.662
   99   HD22  LEU   9          HD22      LEU   9  -4.548  -6.515  -1.207
  100   HD23  LEU   9          HD23      LEU   9  -3.447  -5.928   0.038
  101    H    LEU  10           HN       LEU  10  -2.979  -1.848   2.431
  102    HA   LEU  10           HA       LEU  10  -4.184  -3.750   4.206
  103    HB2  LEU  10           HB2      LEU  10  -1.738  -3.092   4.126
  104    HB3  LEU  10           HB1      LEU  10  -2.176  -1.586   4.901
  105    HG   LEU  10           HG       LEU  10  -3.169  -3.144   6.757
  106   HD11  LEU  10          HD11      LEU  10  -0.994  -4.963   5.835
  107   HD12  LEU  10          HD12      LEU  10  -2.662  -5.192   5.310
  108   HD13  LEU  10          HD13      LEU  10  -2.257  -5.259   7.023
  109   HD21  LEU  10          HD21      LEU  10  -1.339  -2.643   8.010
  110   HD22  LEU  10          HD22      LEU  10  -1.039  -1.594   6.622
  111   HD23  LEU  10          HD23      LEU  10  -0.209  -3.146   6.752
  112    H    MK8  11           H        MK8  11  -3.880  -0.152   4.453
  113    HB   MK8  11          HB11      MK8  11  -5.709   2.649   5.952
  114    HBA  MK8  11          HB12      MK8  11  -5.523   2.160   4.290
  115    HD   MK8  11          HD11      MK8  11  -4.406   4.046   4.072
  116    HDA  MK8  11          HD12      MK8  11  -3.120   3.095   3.372
  117    HE   MK8  11           HE1      MK8  11  -2.744   5.458   5.281
  118    HG   MK8  11          HG11      MK8  11  -3.017   1.666   5.129
  119    HGA  MK8  11          HG12      MK8  11  -3.469   2.891   6.300
  120    HB1  MK8  11          HB21      MK8  11  -4.331   0.612   7.538
  121   HB1A  MK8  11          HB22      MK8  11  -5.526  -0.693   7.521
  122   HB1B  MK8  11          HB23      MK8  11  -6.049   0.977   7.771
  123    H    ASP  12           HN       ASP  12  -6.402  -0.816   3.707
  124    HA   ASP  12           HA       ASP  12  -9.063   0.156   3.503
  125    HB2  ASP  12           HB2      ASP  12  -7.405  -1.859   2.124
  126    HB3  ASP  12           HB1      ASP  12  -9.134  -2.196   2.081
  127    H    SER  13           HN       SER  13  -7.760  -2.964   4.630
  128    HA   SER  13           HA       SER  13 -10.259  -4.065   5.498
  129    HB2  SER  13           HB2      SER  13  -7.421  -4.909   6.082
  130    HB3  SER  13           HB1      SER  13  -8.851  -5.869   6.467
  131    HG   SER  13           HG       SER  13  -8.534  -4.952   3.846
  132    HN1  NH2  14           HN1      NH2  14  -7.449  -2.710   7.179
  133    HN2  NH2  14           HN2      NH2  14  -8.243  -2.470   8.695
  Start of MODEL    5
    1    H1   ACE   0           H1       ACE   0   6.159   3.200  -9.678
    2    H2   ACE   0           H2       ACE   0   6.159   1.440  -9.764
    3    H3   ACE   0           H3       ACE   0   7.688   2.333  -9.809
    4    H    GLU   1           HN       GLU   1   5.123   3.420  -7.757
    5    HA   GLU   1           HA       GLU   1   6.677   3.187  -5.347
    6    HB2  GLU   1           HB2      GLU   1   3.877   4.183  -5.895
    7    HB3  GLU   1           HB1      GLU   1   4.502   4.052  -4.261
    8    HG2  GLU   1           HG2      GLU   1   5.754   5.725  -6.428
    9    HG3  GLU   1           HG1      GLU   1   4.638   6.337  -5.212
   10    H    LYS   2           HN       LYS   2   7.116   1.158  -4.835
   11    HA   LYS   2           HA       LYS   2   5.260  -1.022  -4.832
   12    HB2  LYS   2           HB2      LYS   2   7.810  -1.108  -5.174
   13    HB3  LYS   2           HB1      LYS   2   7.939  -0.998  -3.428
   14    HG2  LYS   2           HG2      LYS   2   6.612  -3.068  -3.229
   15    HG3  LYS   2           HG1      LYS   2   6.568  -3.189  -4.984
   16    HD2  LYS   2           HD2      LYS   2   9.016  -3.322  -5.034
   17    HD3  LYS   2           HD1      LYS   2   9.064  -3.216  -3.275
   18    HE2  LYS   2           HE2      LYS   2   9.303  -5.525  -3.965
   19    HE3  LYS   2           HE1      LYS   2   7.766  -5.292  -3.139
   20    HZ1  LYS   2           HZ1      LYS   2   7.620  -4.969  -5.994
   21    HZ2  LYS   2           HZ2      LYS   2   6.620  -5.842  -4.949
   22    HZ3  LYS   2           HZ3      LYS   2   8.067  -6.525  -5.502
   23    H    HIS   3           HN       HIS   3   6.867   0.819  -2.216
   24    HA   HIS   3           HA       HIS   3   5.673  -0.575  -0.036
   25    HB2  HIS   3           HB2      HIS   3   7.866   0.688  -0.020
   26    HB3  HIS   3           HB1      HIS   3   6.939   2.173   0.026
   27    HD1  HIS   3           HD1      HIS   3   7.030  -1.030   2.099
   28    HD2  HIS   3           HD2      HIS   3   6.788   3.098   2.526
   29    HE1  HIS   3           HE1      HIS   3   6.989  -0.630   4.561
   30    HE2  HIS   3           HE2      HIS   3   6.741   1.862   4.821
   31    H    LYS   4           HN       LYS   4   4.787   2.428  -1.779
   32    HA   LYS   4           HA       LYS   4   2.777   3.309   0.010
   33    HB2  LYS   4           HB2      LYS   4   3.281   3.930  -2.886
   34    HB3  LYS   4           HB1      LYS   4   1.982   4.674  -1.962
   35    HG2  LYS   4           HG2      LYS   4   3.745   5.434  -0.332
   36    HG3  LYS   4           HG1      LYS   4   4.944   4.926  -1.523
   37    HD2  LYS   4           HD2      LYS   4   3.913   6.428  -3.163
   38    HD3  LYS   4           HD1      LYS   4   2.739   6.926  -1.945
   39    HE2  LYS   4           HE2      LYS   4   4.518   7.800  -0.550
   40    HE3  LYS   4           HE1      LYS   4   5.726   7.284  -1.730
   41    HZ1  LYS   4           HZ1      LYS   4   3.701   8.913  -2.911
   42    HZ2  LYS   4           HZ2      LYS   4   5.380   9.085  -2.955
   43    HZ3  LYS   4           HZ3      LYS   4   4.503   9.719  -1.662
   44    H    ILE   5           HN       ILE   5   2.606   1.302  -2.943
   45    HA   ILE   5           HA       ILE   5  -0.203   1.120  -3.073
   46    HB   ILE   5           HB       ILE   5   1.244   0.743  -5.029
   47   HG12  ILE   5          HG12      ILE   5   0.108  -1.486  -5.827
   48   HG13  ILE   5          HG11      ILE   5  -0.799  -1.316  -4.322
   49   HG21  ILE   5          HG21      ILE   5   2.556  -1.120  -5.471
   50   HG22  ILE   5          HG22      ILE   5   1.892  -2.035  -4.116
   51   HG23  ILE   5          HG23      ILE   5   2.963  -0.660  -3.825
   52   HD11  ILE   5          HD11      ILE   5  -0.929   0.274  -6.795
   53   HD12  ILE   5          HD12      ILE   5  -1.118   1.138  -5.279
   54   HD13  ILE   5          HD13      ILE   5  -2.203  -0.197  -5.668
   55    H    LEU   6           HN       LEU   6   2.223  -0.939  -1.450
   56    HA   LEU   6           HA       LEU   6   0.573  -3.080  -0.668
   57    HB2  LEU   6           HB2      LEU   6   3.119  -2.959  -0.674
   58    HB3  LEU   6           HB1      LEU   6   2.994  -2.062   0.822
   59    HG   LEU   6           HG       LEU   6   1.654  -4.171   1.629
   60   HD11  LEU   6          HD11      LEU   6   1.502  -5.783   0.093
   61   HD12  LEU   6          HD12      LEU   6   3.217  -6.076   0.402
   62   HD13  LEU   6          HD13      LEU   6   2.731  -5.037  -0.936
   63   HD21  LEU   6          HD21      LEU   6   4.251  -5.145   1.757
   64   HD22  LEU   6          HD22      LEU   6   3.444  -4.120   2.940
   65   HD23  LEU   6          HD23      LEU   6   4.426  -3.395   1.667
   66    H    MK8   7           H        MK8   7   1.557  -0.092   1.177
   67    HB   MK8   7          HB11      MK8   7   0.796   2.079   2.117
   68    HBA  MK8   7          HB12      MK8   7   1.877   1.322   3.261
   69    HD   MK8   7          HD11      MK8   7   0.385   4.023   2.817
   70    HDA  MK8   7          HD12      MK8   7   0.425   4.532   4.485
   71    HE   MK8   7           HE1      MK8   7  -1.826   4.930   2.865
   72    HG   MK8   7          HG11      MK8   7   1.070   2.510   4.950
   73    HGA  MK8   7          HG12      MK8   7  -0.556   1.986   4.640
   74    HB1  MK8   7          HB21      MK8   7   0.425  -0.273   4.942
   75   HB1A  MK8   7          HB22      MK8   7   1.365  -1.344   3.911
   76   HB1B  MK8   7          HB23      MK8   7  -0.379  -1.607   4.092
   77    H    ARG   8           HN       ARG   8  -1.001   0.844   0.537
   78    HA   ARG   8           HA       ARG   8  -3.526   1.745   1.520
   79    HB2  ARG   8           HB2      ARG   8  -2.457   1.324  -1.266
   80    HB3  ARG   8           HB1      ARG   8  -4.091   1.902  -0.971
   81    HG2  ARG   8           HG2      ARG   8  -3.134   3.821   0.256
   82    HG3  ARG   8           HG1      ARG   8  -1.524   3.235  -0.156
   83    HD2  ARG   8           HD2      ARG   8  -2.043   3.484  -2.534
   84    HD3  ARG   8           HD1      ARG   8  -3.657   4.074  -2.124
   85    HE   ARG   8           HE       ARG   8  -1.177   5.533  -1.987
   86   HH11  ARG   8          HH11      ARG   8  -4.537   5.580  -0.781
   87   HH12  ARG   8          HH12      ARG   8  -4.474   7.264  -0.377
   88   HH21  ARG   8          HH21      ARG   8  -1.159   7.725  -1.353
   89   HH22  ARG   8          HH22      ARG   8  -2.576   8.452  -0.670
   90    H    LEU   9           HN       LEU   9  -2.553  -1.312   0.015
   91    HA   LEU   9           HA       LEU   9  -5.148  -2.329  -0.447
   92    HB2  LEU   9           HB2      LEU   9  -3.012  -3.142  -1.526
   93    HB3  LEU   9           HB1      LEU   9  -2.548  -3.860  -0.003
   94    HG   LEU   9           HG       LEU   9  -3.231  -5.537  -1.606
   95   HD11  LEU   9          HD11      LEU   9  -3.682  -6.548   0.340
   96   HD12  LEU   9          HD12      LEU   9  -5.337  -6.464  -0.266
   97   HD13  LEU   9          HD13      LEU   9  -4.759  -5.262   0.887
   98   HD21  LEU   9          HD21      LEU   9  -5.279  -3.793  -2.404
   99   HD22  LEU   9          HD22      LEU   9  -6.080  -5.211  -1.736
  100   HD23  LEU   9          HD23      LEU   9  -4.913  -5.394  -3.040
  101    H    LEU  10           HN       LEU  10  -2.864  -2.343   2.244
  102    HA   LEU  10           HA       LEU  10  -4.247  -4.164   3.950
  103    HB2  LEU  10           HB2      LEU  10  -1.777  -3.727   3.906
  104    HB3  LEU  10           HB1      LEU  10  -2.089  -2.208   4.700
  105    HG   LEU  10           HG       LEU  10  -3.213  -3.678   6.555
  106   HD11  LEU  10          HD11      LEU  10  -2.976  -5.889   6.483
  107   HD12  LEU  10          HD12      LEU  10  -1.259  -5.751   6.130
  108   HD13  LEU  10          HD13      LEU  10  -2.429  -5.725   4.810
  109   HD21  LEU  10          HD21      LEU  10  -1.374  -3.253   7.764
  110   HD22  LEU  10          HD22      LEU  10  -0.821  -2.426   6.314
  111   HD23  LEU  10          HD23      LEU  10  -0.312  -4.083   6.638
  112    H    MK8  11           H        MK8  11  -3.483  -0.657   4.633
  113    HB   MK8  11          HB11      MK8  11  -5.007   2.150   6.516
  114    HBA  MK8  11          HB12      MK8  11  -4.788   1.981   4.788
  115    HD   MK8  11          HD11      MK8  11  -1.497   3.171   6.245
  116    HDA  MK8  11          HD12      MK8  11  -3.118   3.673   6.648
  117    HE   MK8  11           HE1      MK8  11  -3.574   4.448   4.357
  118    HG   MK8  11          HG11      MK8  11  -2.506   1.198   5.078
  119    HGA  MK8  11          HG12      MK8  11  -2.679   1.232   6.822
  120    HB1  MK8  11          HB21      MK8  11  -6.114  -0.935   7.441
  121   HB1A  MK8  11          HB22      MK8  11  -5.252   0.519   7.916
  122   HB1B  MK8  11          HB23      MK8  11  -4.354  -0.948   7.521
  123    H    ASP  12           HN       ASP  12  -6.169  -0.961   3.666
  124    HA   ASP  12           HA       ASP  12  -8.499   0.611   3.271
  125    HB2  ASP  12           HB2      ASP  12  -7.331  -0.602   1.430
  126    HB3  ASP  12           HB1      ASP  12  -7.855  -2.132   2.110
  127    H    SER  13           HN       SER  13  -7.820  -2.466   4.835
  128    HA   SER  13           HA       SER  13 -10.512  -3.298   5.323
  129    HB2  SER  13           HB2      SER  13  -9.456  -4.962   6.846
  130    HB3  SER  13           HB1      SER  13  -8.737  -4.979   5.239
  131    HG   SER  13           HG       SER  13  -7.586  -3.345   7.217
  132    HN1  NH2  14           HN1      NH2  14  -8.008  -1.748   7.258
  133    HN2  NH2  14           HN2      NH2  14  -9.041  -1.262   8.551
  Start of MODEL    6
    1    H1   ACE   0           H1       ACE   0   6.928   0.625  -9.798
    2    H2   ACE   0           H2       ACE   0   7.527   2.278  -9.935
    3    H3   ACE   0           H3       ACE   0   5.797   1.975  -9.871
    4    H    GLU   1           HN       GLU   1   5.118   2.899  -8.033
    5    HA   GLU   1           HA       GLU   1   6.606   2.927  -5.585
    6    HB2  GLU   1           HB2      GLU   1   3.836   3.882  -6.313
    7    HB3  GLU   1           HB1      GLU   1   4.376   3.862  -4.640
    8    HG2  GLU   1           HG2      GLU   1   5.720   5.376  -6.868
    9    HG3  GLU   1           HG1      GLU   1   4.614   6.080  -5.705
   10    H    LYS   2           HN       LYS   2   7.053   0.918  -4.929
   11    HA   LYS   2           HA       LYS   2   5.166  -1.217  -4.734
   12    HB2  LYS   2           HB2      LYS   2   7.702  -1.395  -5.152
   13    HB3  LYS   2           HB1      LYS   2   7.880  -1.187  -3.419
   14    HG2  LYS   2           HG2      LYS   2   6.591  -3.208  -3.016
   15    HG3  LYS   2           HG1      LYS   2   6.360  -3.418  -4.750
   16    HD2  LYS   2           HD2      LYS   2   8.771  -3.657  -5.051
   17    HD3  LYS   2           HD1      LYS   2   9.020  -3.391  -3.326
   18    HE2  LYS   2           HE2      LYS   2   7.684  -5.408  -2.852
   19    HE3  LYS   2           HE1      LYS   2   7.540  -5.698  -4.587
   20    HZ1  LYS   2           HZ1      LYS   2   9.962  -5.821  -2.896
   21    HZ2  LYS   2           HZ2      LYS   2  10.054  -5.700  -4.582
   22    HZ3  LYS   2           HZ3      LYS   2   9.288  -7.028  -3.873
   23    H    HIS   3           HN       HIS   3   6.891   0.708  -2.220
   24    HA   HIS   3           HA       HIS   3   5.636  -0.513   0.019
   25    HB2  HIS   3           HB2      HIS   3   7.912   0.717  -0.090
   26    HB3  HIS   3           HB1      HIS   3   6.950   2.190   0.018
   27    HD1  HIS   3           HD1      HIS   3   7.011  -1.066   2.004
   28    HD2  HIS   3           HD2      HIS   3   6.896   3.035   2.610
   29    HE1  HIS   3           HE1      HIS   3   6.913  -0.744   4.504
   30    HE2  HIS   3           HE2      HIS   3   6.836   1.727   4.837
   31    H    LYS   4           HN       LYS   4   4.882   2.396  -1.906
   32    HA   LYS   4           HA       LYS   4   2.922   3.497  -0.143
   33    HB2  LYS   4           HB2      LYS   4   3.417   3.877  -3.094
   34    HB3  LYS   4           HB1      LYS   4   2.152   4.738  -2.216
   35    HG2  LYS   4           HG2      LYS   4   3.975   5.524  -0.638
   36    HG3  LYS   4           HG1      LYS   4   5.132   4.947  -1.846
   37    HD2  LYS   4           HD2      LYS   4   4.199   6.441  -3.500
   38    HD3  LYS   4           HD1      LYS   4   2.928   6.933  -2.390
   39    HE2  LYS   4           HE2      LYS   4   4.586   7.884  -0.893
   40    HE3  LYS   4           HE1      LYS   4   5.883   7.384  -1.978
   41    HZ1  LYS   4           HZ1      LYS   4   5.384   9.695  -2.305
   42    HZ2  LYS   4           HZ2      LYS   4   3.742   9.372  -2.567
   43    HZ3  LYS   4           HZ3      LYS   4   4.896   8.839  -3.678
   44    H    ILE   5           HN       ILE   5   2.639   1.316  -3.003
   45    HA   ILE   5           HA       ILE   5  -0.177   1.217  -3.034
   46    HB   ILE   5           HB       ILE   5   1.222   0.725  -5.011
   47   HG12  ILE   5          HG12      ILE   5  -0.045  -1.473  -5.708
   48   HG13  ILE   5          HG11      ILE   5  -0.906  -1.213  -4.192
   49   HG21  ILE   5          HG21      ILE   5   1.756  -2.029  -4.810
   50   HG22  ILE   5          HG22      ILE   5   2.475  -1.256  -3.398
   51   HG23  ILE   5          HG23      ILE   5   2.882  -0.694  -5.015
   52   HD11  ILE   5          HD11      ILE   5  -2.061  -0.250  -6.149
   53   HD12  ILE   5          HD12      ILE   5  -0.675   0.810  -6.413
   54   HD13  ILE   5          HD13      ILE   5  -1.634   0.973  -4.945
   55    H    LEU   6           HN       LEU   6   2.214  -0.872  -1.404
   56    HA   LEU   6           HA       LEU   6   0.482  -2.904  -0.485
   57    HB2  LEU   6           HB2      LEU   6   3.046  -2.872  -0.554
   58    HB3  LEU   6           HB1      LEU   6   2.993  -1.948   0.923
   59    HG   LEU   6           HG       LEU   6   3.622  -4.236   1.349
   60   HD11  LEU   6          HD11      LEU   6   0.848  -4.073   2.474
   61   HD12  LEU   6          HD12      LEU   6   2.146  -3.012   3.018
   62   HD13  LEU   6          HD13      LEU   6   2.302  -4.758   3.198
   63   HD21  LEU   6          HD21      LEU   6   1.306  -4.956  -0.312
   64   HD22  LEU   6          HD22      LEU   6   1.588  -5.953   1.114
   65   HD23  LEU   6          HD23      LEU   6   2.857  -5.765  -0.085
   66    H    MK8   7           H        MK8   7   1.649   0.070   1.156
   67    HB   MK8   7          HB11      MK8   7   1.329   2.156   1.855
   68    HBA  MK8   7          HB12      MK8   7   2.145   1.579   3.287
   69    HD   MK8   7          HD11      MK8   7   1.543   2.744   5.612
   70    HDA  MK8   7          HD12      MK8   7   0.086   1.826   5.354
   71    HE   MK8   7           HE1      MK8   7   0.289   4.468   6.685
   72    HG   MK8   7          HG11      MK8   7  -0.316   3.325   3.344
   73    HGA  MK8   7          HG12      MK8   7   1.334   3.865   3.581
   74    HB1  MK8   7          HB21      MK8   7  -0.213  -0.479   4.672
   75   HB1A  MK8   7          HB22      MK8   7   1.417   0.193   4.655
   76   HB1B  MK8   7          HB23      MK8   7   1.082  -1.313   3.806
   77    H    ARG   8           HN       ARG   8  -0.933   1.150   0.629
   78    HA   ARG   8           HA       ARG   8  -3.376   2.132   1.723
   79    HB2  ARG   8           HB2      ARG   8  -2.544   1.652  -1.148
   80    HB3  ARG   8           HB1      ARG   8  -4.037   2.461  -0.671
   81    HG2  ARG   8           HG2      ARG   8  -2.634   4.147   0.557
   82    HG3  ARG   8           HG1      ARG   8  -1.210   3.372  -0.163
   83    HD2  ARG   8           HD2      ARG   8  -2.098   3.814  -2.411
   84    HD3  ARG   8           HD1      ARG   8  -3.518   4.576  -1.688
   85    HE   ARG   8           HE       ARG   8  -1.217   5.866  -0.716
   86   HH11  ARG   8          HH11      ARG   8  -3.015   5.699  -3.796
   87   HH12  ARG   8          HH12      ARG   8  -2.469   7.256  -4.319
   88   HH21  ARG   8          HH21      ARG   8  -0.561   7.898  -1.459
   89   HH22  ARG   8          HH22      ARG   8  -1.106   8.496  -2.996
   90    H    LEU   9           HN       LEU   9  -2.564  -0.924   0.071
   91    HA   LEU   9           HA       LEU   9  -5.235  -1.834  -0.285
   92    HB2  LEU   9           HB2      LEU   9  -3.187  -2.610  -1.561
   93    HB3  LEU   9           HB1      LEU   9  -2.721  -3.508  -0.129
   94    HG   LEU   9           HG       LEU   9  -5.086  -4.648  -0.426
   95   HD11  LEU   9          HD11      LEU   9  -6.246  -3.967  -2.204
   96   HD12  LEU   9          HD12      LEU   9  -5.028  -4.734  -3.208
   97   HD13  LEU   9          HD13      LEU   9  -4.883  -3.024  -2.803
   98   HD21  LEU   9          HD21      LEU   9  -2.508  -5.351  -0.989
   99   HD22  LEU   9          HD22      LEU   9  -3.311  -5.627  -2.531
  100   HD23  LEU   9          HD23      LEU   9  -3.901  -6.442  -1.073
  101    H    LEU  10           HN       LEU  10  -2.885  -2.087   2.365
  102    HA   LEU  10           HA       LEU  10  -4.289  -4.080   3.880
  103    HB2  LEU  10           HB2      LEU  10  -1.801  -3.625   3.935
  104    HB3  LEU  10           HB1      LEU  10  -2.156  -2.212   4.901
  105    HG   LEU  10           HG       LEU  10  -3.156  -4.887   5.806
  106   HD11  LEU  10          HD11      LEU  10  -0.834  -5.309   5.271
  107   HD12  LEU  10          HD12      LEU  10  -1.053  -5.251   7.024
  108   HD13  LEU  10          HD13      LEU  10  -0.342  -3.878   6.179
  109   HD21  LEU  10          HD21      LEU  10  -2.023  -2.611   7.411
  110   HD22  LEU  10          HD22      LEU  10  -3.009  -3.961   7.979
  111   HD23  LEU  10          HD23      LEU  10  -3.724  -2.718   6.956
  112    H    MK8  11           H        MK8  11  -3.653  -0.609   4.665
  113    HB   MK8  11          HB11      MK8  11  -5.260   2.124   6.541
  114    HBA  MK8  11          HB12      MK8  11  -4.951   1.912   4.843
  115    HD   MK8  11          HD11      MK8  11  -3.628   3.711   5.354
  116    HDA  MK8  11          HD12      MK8  11  -2.403   2.885   4.452
  117    HE   MK8  11           HE1      MK8  11  -2.036   4.681   6.852
  118    HG   MK8  11          HG11      MK8  11  -2.645   0.973   5.604
  119    HGA  MK8  11          HG12      MK8  11  -3.021   1.783   7.118
  120    HB1  MK8  11          HB21      MK8  11  -5.437  -1.477   7.445
  121   HB1A  MK8  11          HB22      MK8  11  -6.213   0.043   7.879
  122   HB1B  MK8  11          HB23      MK8  11  -4.452  -0.082   7.898
  123    H    ASP  12           HN       ASP  12  -6.230  -0.912   3.658
  124    HA   ASP  12           HA       ASP  12  -8.656   0.521   3.381
  125    HB2  ASP  12           HB2      ASP  12  -7.389  -0.381   1.462
  126    HB3  ASP  12           HB1      ASP  12  -7.815  -2.010   1.978
  127    H    SER  13           HN       SER  13  -7.878  -2.756   4.513
  128    HA   SER  13           HA       SER  13 -10.592  -3.613   4.947
  129    HB2  SER  13           HB2      SER  13  -8.812  -5.250   4.491
  130    HB3  SER  13           HB1      SER  13  -7.980  -4.775   5.982
  131    HG   SER  13           HG       SER  13 -10.255  -6.343   5.631
  132    HN1  NH2  14           HN1      NH2  14  -7.949  -2.662   7.091
  133    HN2  NH2  14           HN2      NH2  14  -8.953  -2.288   8.453
  Start of MODEL    7
    1    H1   ACE   0           H1       ACE   0  10.438   1.837  -3.954
    2    H2   ACE   0           H2       ACE   0  10.659   3.120  -5.150
    3    H3   ACE   0           H3       ACE   0  10.262   1.476  -5.672
    4    H    GLU   1           HN       GLU   1   8.449   2.289  -6.822
    5    HA   GLU   1           HA       GLU   1   6.304   3.757  -5.640
    6    HB2  GLU   1           HB2      GLU   1   6.999   3.590  -8.087
    7    HB3  GLU   1           HB1      GLU   1   6.123   2.070  -8.121
    8    HG2  GLU   1           HG2      GLU   1   4.754   4.565  -7.205
    9    HG3  GLU   1           HG1      GLU   1   4.959   4.242  -8.929
   10    H    LYS   2           HN       LYS   2   7.015   0.345  -5.601
   11    HA   LYS   2           HA       LYS   2   4.371  -0.651  -5.359
   12    HB2  LYS   2           HB2      LYS   2   5.429  -2.800  -4.734
   13    HB3  LYS   2           HB1      LYS   2   6.062  -2.121  -6.212
   14    HG2  LYS   2           HG2      LYS   2   8.017  -1.281  -4.899
   15    HG3  LYS   2           HG1      LYS   2   7.400  -2.172  -3.515
   16    HD2  LYS   2           HD2      LYS   2   7.786  -3.630  -6.080
   17    HD3  LYS   2           HD1      LYS   2   9.201  -3.198  -5.124
   18    HE2  LYS   2           HE2      LYS   2   6.833  -4.788  -4.138
   19    HE3  LYS   2           HE1      LYS   2   8.392  -5.465  -4.610
   20    HZ1  LYS   2           HZ1      LYS   2   7.728  -3.810  -2.262
   21    HZ2  LYS   2           HZ2      LYS   2   9.318  -3.889  -2.830
   22    HZ3  LYS   2           HZ3      LYS   2   8.533  -5.295  -2.315
   23    H    HIS   3           HN       HIS   3   6.287   1.023  -3.109
   24    HA   HIS   3           HA       HIS   3   5.477  -0.248  -0.648
   25    HB2  HIS   3           HB2      HIS   3   7.558   1.174  -1.046
   26    HB3  HIS   3           HB1      HIS   3   6.513   2.583  -0.986
   27    HD1  HIS   3           HD1      HIS   3   4.931   2.391   1.454
   28    HD2  HIS   3           HD2      HIS   3   8.800   0.872   1.328
   29    HE1  HIS   3           HE1      HIS   3   5.680   2.259   3.847
   30    HE2  HIS   3           HE2      HIS   3   7.975   1.255   3.756
   31    H    LYS   4           HN       LYS   4   4.291   2.472  -2.587
   32    HA   LYS   4           HA       LYS   4   2.356   3.505  -0.805
   33    HB2  LYS   4           HB2      LYS   4   2.603   3.694  -3.811
   34    HB3  LYS   4           HB1      LYS   4   1.427   4.595  -2.864
   35    HG2  LYS   4           HG2      LYS   4   3.293   5.630  -1.622
   36    HG3  LYS   4           HG1      LYS   4   4.422   4.815  -2.697
   37    HD2  LYS   4           HD2      LYS   4   3.490   5.981  -4.611
   38    HD3  LYS   4           HD1      LYS   4   2.265   6.734  -3.590
   39    HE2  LYS   4           HE2      LYS   4   4.025   7.910  -2.342
   40    HE3  LYS   4           HE1      LYS   4   5.250   7.143  -3.346
   41    HZ1  LYS   4           HZ1      LYS   4   4.927   8.592  -4.986
   42    HZ2  LYS   4           HZ2      LYS   4   4.086   9.545  -3.866
   43    HZ3  LYS   4           HZ3      LYS   4   3.242   8.493  -4.885
   44    H    ILE   5           HN       ILE   5   2.228   1.053  -3.395
   45    HA   ILE   5           HA       ILE   5  -0.583   0.674  -3.450
   46    HB   ILE   5           HB       ILE   5   1.373  -1.498  -4.216
   47   HG12  ILE   5          HG12      ILE   5   2.284   0.448  -5.353
   48   HG13  ILE   5          HG11      ILE   5   1.572  -0.630  -6.525
   49   HG21  ILE   5          HG21      ILE   5  -0.860  -2.304  -4.338
   50   HG22  ILE   5          HG22      ILE   5  -0.277  -2.074  -5.987
   51   HG23  ILE   5          HG23      ILE   5  -1.383  -0.900  -5.279
   52   HD11  ILE   5          HD11      ILE   5   1.107   1.573  -7.258
   53   HD12  ILE   5          HD12      ILE   5   0.607   2.101  -5.655
   54   HD13  ILE   5          HD13      ILE   5  -0.412   0.992  -6.580
   55    H    LEU   6           HN       LEU   6   2.021  -1.020  -1.642
   56    HA   LEU   6           HA       LEU   6   0.449  -3.068  -0.476
   57    HB2  LEU   6           HB2      LEU   6   2.950  -2.976  -0.666
   58    HB3  LEU   6           HB1      LEU   6   2.953  -1.837   0.670
   59    HG   LEU   6           HG       LEU   6   1.641  -4.507   1.072
   60   HD11  LEU   6          HD11      LEU   6   3.864  -5.368   1.831
   61   HD12  LEU   6          HD12      LEU   6   4.605  -4.001   1.001
   62   HD13  LEU   6          HD13      LEU   6   3.679  -5.192   0.091
   63   HD21  LEU   6          HD21      LEU   6   1.423  -3.204   2.962
   64   HD22  LEU   6          HD22      LEU   6   2.984  -2.419   2.736
   65   HD23  LEU   6          HD23      LEU   6   2.914  -4.083   3.310
   66    H    MK8   7           H        MK8   7   1.388   0.167   0.792
   67    HB   MK8   7          HB11      MK8   7   0.874   2.270   1.257
   68    HBA  MK8   7          HB12      MK8   7   1.762   1.970   2.730
   69    HD   MK8   7          HD11      MK8   7   0.970   3.502   4.917
   70    HDA  MK8   7          HD12      MK8   7  -0.233   2.224   4.810
   71    HE   MK8   7           HE1      MK8   7  -0.679   4.860   5.953
   72    HG   MK8   7          HG11      MK8   7  -0.850   3.472   2.558
   73    HGA  MK8   7          HG12      MK8   7   0.745   4.171   2.754
   74    HB1  MK8   7          HB21      MK8   7  -0.249  -0.558   4.225
   75   HB1A  MK8   7          HB22      MK8   7   0.813   0.826   4.482
   76   HB1B  MK8   7          HB23      MK8   7   1.424  -0.618   3.667
   77    H    ARG   8           HN       ARG   8  -1.319   1.051   0.240
   78    HA   ARG   8           HA       ARG   8  -3.817   1.831   1.399
   79    HB2  ARG   8           HB2      ARG   8  -3.105   1.261  -1.466
   80    HB3  ARG   8           HB1      ARG   8  -4.615   1.980  -0.916
   81    HG2  ARG   8           HG2      ARG   8  -3.311   3.860   0.059
   82    HG3  ARG   8           HG1      ARG   8  -1.854   3.144  -0.623
   83    HD2  ARG   8           HD2      ARG   8  -2.816   3.328  -2.865
   84    HD3  ARG   8           HD1      ARG   8  -4.254   4.062  -2.183
   85    HE   ARG   8           HE       ARG   8  -2.076   5.589  -1.364
   86   HH11  ARG   8          HH11      ARG   8  -3.710   4.961  -4.470
   87   HH12  ARG   8          HH12      ARG   8  -3.212   6.477  -5.153
   88   HH21  ARG   8          HH21      ARG   8  -1.521   7.570  -2.309
   89   HH22  ARG   8          HH22      ARG   8  -1.997   7.941  -3.936
   90    H    LEU   9           HN       LEU   9  -2.790  -1.244  -0.035
   91    HA   LEU   9           HA       LEU   9  -5.386  -2.399  -0.294
   92    HB2  LEU   9           HB2      LEU   9  -3.245  -3.132  -1.496
   93    HB3  LEU   9           HB1      LEU   9  -2.772  -3.891   0.011
   94    HG   LEU   9           HG       LEU   9  -5.079  -5.145  -0.222
   95   HD11  LEU   9          HD11      LEU   9  -4.814  -5.368  -3.048
   96   HD12  LEU   9          HD12      LEU   9  -5.054  -3.672  -2.640
   97   HD13  LEU   9          HD13      LEU   9  -6.217  -4.879  -2.108
   98   HD21  LEU   9          HD21      LEU   9  -3.252  -6.250  -2.212
   99   HD22  LEU   9          HD22      LEU   9  -3.797  -6.919  -0.674
  100   HD23  LEU   9          HD23      LEU   9  -2.458  -5.772  -0.715
  101    H    LEU  10           HN       LEU  10  -2.936  -2.255   2.222
  102    HA   LEU  10           HA       LEU  10  -4.076  -4.142   4.033
  103    HB2  LEU  10           HB2      LEU  10  -1.604  -3.190   3.723
  104    HB3  LEU  10           HB1      LEU  10  -2.133  -2.039   4.913
  105    HG   LEU  10           HG       LEU  10  -0.783  -3.754   5.942
  106   HD11  LEU  10          HD11      LEU  10  -1.972  -3.467   7.770
  107   HD12  LEU  10          HD12      LEU  10  -2.906  -4.896   7.320
  108   HD13  LEU  10          HD13      LEU  10  -3.470  -3.296   6.849
  109   HD21  LEU  10          HD21      LEU  10  -1.717  -6.135   6.092
  110   HD22  LEU  10          HD22      LEU  10  -0.891  -5.645   4.606
  111   HD23  LEU  10          HD23      LEU  10  -2.655  -5.698   4.668
  112    H    MK8  11           H        MK8  11  -3.501  -0.572   4.539
  113    HB   MK8  11          HB11      MK8  11  -3.305   1.399   5.899
  114    HBA  MK8  11          HB12      MK8  11  -4.745   2.137   6.548
  115    HD   MK8  11          HD11      MK8  11  -3.610   3.918   3.223
  116    HDA  MK8  11          HD12      MK8  11  -2.561   2.598   3.613
  117    HE   MK8  11           HE1      MK8  11  -3.014   4.898   5.609
  118    HG   MK8  11          HG11      MK8  11  -5.338   3.109   4.605
  119    HGA  MK8  11          HG12      MK8  11  -4.767   1.770   3.636
  120    HB1  MK8  11          HB21      MK8  11  -5.833   0.150   7.808
  121   HB1A  MK8  11          HB22      MK8  11  -4.067   0.177   7.721
  122   HB1B  MK8  11          HB23      MK8  11  -4.963  -1.312   7.371
  123    H    ASP  12           HN       ASP  12  -6.252  -1.063   3.841
  124    HA   ASP  12           HA       ASP  12  -8.670   0.393   3.599
  125    HB2  ASP  12           HB2      ASP  12  -7.615  -0.891   1.728
  126    HB3  ASP  12           HB1      ASP  12  -8.043  -2.386   2.536
  127    H    SER  13           HN       SER  13  -7.899  -2.756   5.070
  128    HA   SER  13           HA       SER  13 -10.562  -3.413   5.910
  129    HB2  SER  13           HB2      SER  13  -8.908  -5.172   5.502
  130    HB3  SER  13           HB1      SER  13  -7.905  -4.544   6.808
  131    HG   SER  13           HG       SER  13  -9.850  -6.302   6.987
  132    HN1  NH2  14           HN1      NH2  14  -7.663  -2.314   7.629
  133    HN2  NH2  14           HN2      NH2  14  -8.512  -1.720   9.009
  Start of MODEL    8
    1    H1   ACE   0           H1       ACE   0   9.597   3.949  -5.802
    2    H2   ACE   0           H2       ACE   0   9.584   2.265  -6.313
    3    H3   ACE   0           H3       ACE   0   9.876   2.669  -4.622
    4    H    GLU   1           HN       GLU   1   7.487   2.567  -7.210
    5    HA   GLU   1           HA       GLU   1   5.207   3.440  -5.755
    6    HB2  GLU   1           HB2      GLU   1   5.577   3.496  -8.276
    7    HB3  GLU   1           HB1      GLU   1   5.225   1.779  -8.269
    8    HG2  GLU   1           HG2      GLU   1   3.221   3.574  -7.041
    9    HG3  GLU   1           HG1      GLU   1   3.393   3.638  -8.788
   10    H    LYS   2           HN       LYS   2   6.948   0.654  -5.331
   11    HA   LYS   2           HA       LYS   2   4.921  -1.344  -5.121
   12    HB2  LYS   2           HB2      LYS   2   7.413  -1.677  -5.577
   13    HB3  LYS   2           HB1      LYS   2   7.656  -1.459  -3.853
   14    HG2  LYS   2           HG2      LYS   2   6.205  -3.402  -3.425
   15    HG3  LYS   2           HG1      LYS   2   5.979  -3.604  -5.160
   16    HD2  LYS   2           HD2      LYS   2   8.345  -4.030  -5.458
   17    HD3  LYS   2           HD1      LYS   2   8.624  -3.745  -3.734
   18    HE2  LYS   2           HE2      LYS   2   6.878  -5.935  -4.882
   19    HE3  LYS   2           HE1      LYS   2   8.532  -6.149  -4.304
   20    HZ1  LYS   2           HZ1      LYS   2   6.098  -5.546  -2.742
   21    HZ2  LYS   2           HZ2      LYS   2   7.629  -5.159  -2.135
   22    HZ3  LYS   2           HZ3      LYS   2   7.246  -6.770  -2.492
   23    H    HIS   3           HN       HIS   3   6.651   0.666  -2.749
   24    HA   HIS   3           HA       HIS   3   5.517  -0.512  -0.411
   25    HB2  HIS   3           HB2      HIS   3   7.720   0.735  -0.568
   26    HB3  HIS   3           HB1      HIS   3   6.805   2.230  -0.606
   27    HD1  HIS   3           HD1      HIS   3   7.055  -0.794   1.711
   28    HD2  HIS   3           HD2      HIS   3   6.521   3.307   1.862
   29    HE1  HIS   3           HE1      HIS   3   6.993  -0.222   4.156
   30    HE2  HIS   3           HE2      HIS   3   6.739   2.273   4.229
   31    H    LYS   4           HN       LYS   4   4.597   2.149  -2.527
   32    HA   LYS   4           HA       LYS   4   2.668   3.405  -0.855
   33    HB2  LYS   4           HB2      LYS   4   2.981   3.395  -3.876
   34    HB3  LYS   4           HB1      LYS   4   1.825   4.410  -3.002
   35    HG2  LYS   4           HG2      LYS   4   3.712   5.441  -1.786
   36    HG3  LYS   4           HG1      LYS   4   4.835   4.493  -2.767
   37    HD2  LYS   4           HD2      LYS   4   3.997   5.561  -4.786
   38    HD3  LYS   4           HD1      LYS   4   2.809   6.457  -3.833
   39    HE2  LYS   4           HE2      LYS   4   4.626   7.593  -2.646
   40    HE3  LYS   4           HE1      LYS   4   5.805   6.688  -3.583
   41    HZ1  LYS   4           HZ1      LYS   4   4.465   9.082  -4.262
   42    HZ2  LYS   4           HZ2      LYS   4   4.114   7.892  -5.413
   43    HZ3  LYS   4           HZ3      LYS   4   5.727   8.295  -5.084
   44    H    ILE   5           HN       ILE   5   2.340   0.945  -3.474
   45    HA   ILE   5           HA       ILE   5  -0.458   0.758  -3.382
   46    HB   ILE   5           HB       ILE   5   0.848   0.141  -5.352
   47   HG12  ILE   5          HG12      ILE   5  -0.275  -2.161  -5.848
   48   HG13  ILE   5          HG11      ILE   5  -1.071  -1.929  -4.291
   49   HG21  ILE   5          HG21      ILE   5   1.616  -2.480  -4.134
   50   HG22  ILE   5          HG22      ILE   5   2.674  -1.068  -4.091
   51   HG23  ILE   5          HG23      ILE   5   2.175  -1.747  -5.638
   52   HD11  ILE   5          HD11      ILE   5  -1.333  -0.302  -6.802
   53   HD12  ILE   5          HD12      ILE   5  -1.829   0.320  -5.233
   54   HD13  ILE   5          HD13      ILE   5  -2.577  -1.141  -5.876
   55    H    LEU   6           HN       LEU   6   2.057  -1.103  -1.647
   56    HA   LEU   6           HA       LEU   6   0.427  -3.128  -0.547
   57    HB2  LEU   6           HB2      LEU   6   2.978  -3.054  -0.615
   58    HB3  LEU   6           HB1      LEU   6   2.896  -1.990   0.776
   59    HG   LEU   6           HG       LEU   6   1.499  -3.963   1.822
   60   HD11  LEU   6          HD11      LEU   6   2.673  -6.130   1.017
   61   HD12  LEU   6          HD12      LEU   6   2.912  -5.233  -0.479
   62   HD13  LEU   6          HD13      LEU   6   1.277  -5.512   0.131
   63   HD21  LEU   6          HD21      LEU   6   4.017  -5.009   2.189
   64   HD22  LEU   6          HD22      LEU   6   3.332  -3.661   3.106
   65   HD23  LEU   6          HD23      LEU   6   4.345  -3.347   1.701
   66    H    MK8   7           H        MK8   7   1.840  -0.293   1.229
   67    HB   MK8   7          HB11      MK8   7   1.625   1.924   1.898
   68    HBA  MK8   7          HB12      MK8   7   2.244   1.246   3.390
   69    HD   MK8   7          HD11      MK8   7   1.224   2.294   5.754
   70    HDA  MK8   7          HD12      MK8   7  -0.292   1.707   5.137
   71    HE   MK8   7           HE1      MK8   7   0.139   4.603   6.079
   72    HG   MK8   7          HG11      MK8   7   0.036   3.293   3.167
   73    HGA  MK8   7          HG12      MK8   7   1.651   3.540   3.779
   74    HB1  MK8   7          HB21      MK8   7   1.347  -0.049   4.621
   75   HB1A  MK8   7          HB22      MK8   7   1.105  -1.519   3.672
   76   HB1B  MK8   7          HB23      MK8   7  -0.266  -0.748   4.470
   77    H    ARG   8           HN       ARG   8  -0.873   0.994   0.463
   78    HA   ARG   8           HA       ARG   8  -3.177   2.230   1.561
   79    HB2  ARG   8           HB2      ARG   8  -2.400   1.521  -1.268
   80    HB3  ARG   8           HB1      ARG   8  -3.904   2.340  -0.874
   81    HG2  ARG   8           HG2      ARG   8  -2.536   4.119   0.253
   82    HG3  ARG   8           HG1      ARG   8  -1.101   3.360  -0.457
   83    HD2  ARG   8           HD2      ARG   8  -2.031   3.672  -2.708
   84    HD3  ARG   8           HD1      ARG   8  -3.477   4.409  -2.000
   85    HE   ARG   8           HE       ARG   8  -1.238   5.839  -1.114
   86   HH11  ARG   8          HH11      ARG   8  -2.959   5.410  -4.211
   87   HH12  ARG   8          HH12      ARG   8  -2.390   6.915  -4.850
   88   HH21  ARG   8          HH21      ARG   8  -0.603   7.841  -2.013
   89   HH22  ARG   8          HH22      ARG   8  -1.097   8.290  -3.610
   90    H    LEU   9           HN       LEU   9  -2.699  -0.969   0.030
   91    HA   LEU   9           HA       LEU   9  -5.462  -1.674  -0.137
   92    HB2  LEU   9           HB2      LEU   9  -3.553  -2.688  -1.452
   93    HB3  LEU   9           HB1      LEU   9  -3.065  -3.553  -0.014
   94    HG   LEU   9           HG       LEU   9  -5.549  -4.475  -0.117
   95   HD11  LEU   9          HD11      LEU   9  -5.696  -2.881  -2.295
   96   HD12  LEU   9          HD12      LEU   9  -6.677  -4.324  -2.045
   97   HD13  LEU   9          HD13      LEU   9  -5.215  -4.411  -3.037
   98   HD21  LEU   9          HD21      LEU   9  -4.603  -6.405  -0.743
   99   HD22  LEU   9          HD22      LEU   9  -3.099  -5.489  -0.670
  100   HD23  LEU   9          HD23      LEU   9  -3.914  -5.724  -2.215
  101    H    LEU  10           HN       LEU  10  -3.040  -1.815   2.378
  102    HA   LEU  10           HA       LEU  10  -4.356  -3.688   4.102
  103    HB2  LEU  10           HB2      LEU  10  -1.877  -3.205   4.057
  104    HB3  LEU  10           HB1      LEU  10  -2.208  -1.699   4.881
  105    HG   LEU  10           HG       LEU  10  -3.128  -4.261   6.129
  106   HD11  LEU  10          HD11      LEU  10  -0.688  -4.461   5.366
  107   HD12  LEU  10          HD12      LEU  10  -1.054  -4.754   7.062
  108   HD13  LEU  10          HD13      LEU  10  -0.349  -3.216   6.572
  109   HD21  LEU  10          HD21      LEU  10  -3.805  -2.221   7.193
  110   HD22  LEU  10          HD22      LEU  10  -2.163  -1.605   7.191
  111   HD23  LEU  10          HD23      LEU  10  -2.580  -2.995   8.190
  112    H    MK8  11           H        MK8  11  -3.867  -0.073   4.500
  113    HB   MK8  11          HB11      MK8  11  -5.418   2.682   6.305
  114    HBA  MK8  11          HB12      MK8  11  -5.737   2.364   4.622
  115    HD   MK8  11          HD11      MK8  11  -2.203   1.550   6.387
  116    HDA  MK8  11          HD12      MK8  11  -3.364   2.564   7.224
  117    HE   MK8  11           HE1      MK8  11  -2.029   4.569   6.909
  118    HG   MK8  11          HG11      MK8  11  -3.674   3.389   4.630
  119    HGA  MK8  11          HG12      MK8  11  -3.293   1.693   4.430
  120    HB1  MK8  11          HB21      MK8  11  -5.971   0.817   7.890
  121   HB1A  MK8  11          HB22      MK8  11  -4.240   0.801   7.554
  122   HB1B  MK8  11          HB23      MK8  11  -5.156  -0.703   7.512
  123    H    ASP  12           HN       ASP  12  -6.453  -0.508   3.734
  124    HA   ASP  12           HA       ASP  12  -9.135   0.439   3.733
  125    HB2  ASP  12           HB2      ASP  12  -7.869  -0.222   1.687
  126    HB3  ASP  12           HB1      ASP  12  -7.967  -1.907   2.201
  127    H    SER  13           HN       SER  13  -7.730  -2.785   4.433
  128    HA   SER  13           HA       SER  13 -10.185  -3.994   5.253
  129    HB2  SER  13           HB2      SER  13  -7.320  -4.879   5.714
  130    HB3  SER  13           HB1      SER  13  -8.749  -5.892   5.911
  131    HG   SER  13           HG       SER  13  -8.422  -4.614   3.450
  132    HN1  NH2  14           HN1      NH2  14  -7.350  -2.790   6.988
  133    HN2  NH2  14           HN2      NH2  14  -8.096  -2.702   8.547
  Start of MODEL    9
    1    H1   ACE   0           H1       ACE   0   9.879   1.875  -6.116
    2    H2   ACE   0           H2       ACE   0  10.159   2.560  -4.518
    3    H3   ACE   0           H3       ACE   0   9.983   3.620  -5.916
    4    H    GLU   1           HN       GLU   1   7.838   2.467  -7.218
    5    HA   GLU   1           HA       GLU   1   5.589   3.577  -5.874
    6    HB2  GLU   1           HB2      GLU   1   6.111   3.414  -8.410
    7    HB3  GLU   1           HB1      GLU   1   5.444   1.796  -8.308
    8    HG2  GLU   1           HG2      GLU   1   3.713   3.186  -9.080
    9    HG3  GLU   1           HG1      GLU   1   3.346   2.833  -7.389
   10    H    LYS   2           HN       LYS   2   7.005   0.565  -5.423
   11    HA   LYS   2           HA       LYS   2   4.762  -1.174  -5.246
   12    HB2  LYS   2           HB2      LYS   2   7.222  -1.783  -5.653
   13    HB3  LYS   2           HB1      LYS   2   7.417  -1.631  -3.912
   14    HG2  LYS   2           HG2      LYS   2   5.739  -3.388  -3.573
   15    HG3  LYS   2           HG1      LYS   2   5.570  -3.540  -5.326
   16    HD2  LYS   2           HD2      LYS   2   7.933  -4.160  -5.502
   17    HD3  LYS   2           HD1      LYS   2   8.114  -3.998  -3.756
   18    HE2  LYS   2           HE2      LYS   2   6.478  -5.768  -3.417
   19    HE3  LYS   2           HE1      LYS   2   6.284  -5.940  -5.158
   20    HZ1  LYS   2           HZ1      LYS   2   7.794  -7.567  -4.704
   21    HZ2  LYS   2           HZ2      LYS   2   8.536  -6.713  -3.451
   22    HZ3  LYS   2           HZ3      LYS   2   8.841  -6.288  -5.055
   23    H    HIS   3           HN       HIS   3   6.534   0.803  -2.865
   24    HA   HIS   3           HA       HIS   3   5.418  -0.333  -0.502
   25    HB2  HIS   3           HB2      HIS   3   7.632   0.986  -0.763
   26    HB3  HIS   3           HB1      HIS   3   6.630   2.439  -0.701
   27    HD1  HIS   3           HD1      HIS   3   5.007   2.438   1.615
   28    HD2  HIS   3           HD2      HIS   3   8.569   0.292   1.688
   29    HE1  HIS   3           HE1      HIS   3   5.595   2.177   4.032
   30    HE2  HIS   3           HE2      HIS   3   7.706   0.842   4.068
   31    H    LYS   4           HN       LYS   4   4.387   2.243  -2.666
   32    HA   LYS   4           HA       LYS   4   2.530   3.551  -0.990
   33    HB2  LYS   4           HB2      LYS   4   2.798   3.422  -3.992
   34    HB3  LYS   4           HB1      LYS   4   1.557   4.366  -3.185
   35    HG2  LYS   4           HG2      LYS   4   3.406   5.523  -1.936
   36    HG3  LYS   4           HG1      LYS   4   4.528   4.713  -3.024
   37    HD2  LYS   4           HD2      LYS   4   3.495   5.766  -4.929
   38    HD3  LYS   4           HD1      LYS   4   2.273   6.500  -3.903
   39    HE2  LYS   4           HE2      LYS   4   3.997   7.807  -2.770
   40    HE3  LYS   4           HE1      LYS   4   5.238   7.042  -3.765
   41    HZ1  LYS   4           HZ1      LYS   4   4.353   8.082  -5.702
   42    HZ2  LYS   4           HZ2      LYS   4   4.526   9.286  -4.530
   43    HZ3  LYS   4           HZ3      LYS   4   2.998   8.650  -4.865
   44    H    ILE   5           HN       ILE   5   2.029   1.064  -3.576
   45    HA   ILE   5           HA       ILE   5  -0.729   0.820  -3.126
   46    HB   ILE   5           HB       ILE   5  -0.762  -1.182  -4.567
   47   HG12  ILE   5          HG12      ILE   5   2.079  -0.731  -5.364
   48   HG13  ILE   5          HG11      ILE   5   1.802  -1.691  -3.919
   49   HG21  ILE   5          HG21      ILE   5  -0.907   0.225  -6.276
   50   HG22  ILE   5          HG22      ILE   5   0.812   0.624  -6.206
   51   HG23  ILE   5          HG23      ILE   5  -0.335   1.472  -5.167
   52   HD11  ILE   5          HD11      ILE   5   1.426  -2.363  -6.740
   53   HD12  ILE   5          HD12      ILE   5   0.093  -2.848  -5.692
   54   HD13  ILE   5          HD13      ILE   5   1.719  -3.407  -5.347
   55    H    LEU   6           HN       LEU   6   1.984  -0.919  -1.605
   56    HA   LEU   6           HA       LEU   6   0.475  -3.037  -0.493
   57    HB2  LEU   6           HB2      LEU   6   3.004  -2.904  -0.646
   58    HB3  LEU   6           HB1      LEU   6   2.970  -1.804   0.710
   59    HG   LEU   6           HG       LEU   6   1.670  -3.805   1.855
   60   HD11  LEU   6          HD11      LEU   6   2.991  -5.038  -0.514
   61   HD12  LEU   6          HD12      LEU   6   1.440  -5.412   0.235
   62   HD13  LEU   6          HD13      LEU   6   2.944  -5.937   1.003
   63   HD21  LEU   6          HD21      LEU   6   4.509  -3.119   1.638
   64   HD22  LEU   6          HD22      LEU   6   4.204  -4.770   2.158
   65   HD23  LEU   6          HD23      LEU   6   3.516  -3.423   3.065
   66    H    MK8   7           H        MK8   7   1.768  -0.106   1.148
   67    HB   MK8   7          HB11      MK8   7   1.440   2.068   1.813
   68    HBA  MK8   7          HB12      MK8   7   2.235   1.445   3.240
   69    HD   MK8   7          HD11      MK8   7   1.620   2.524   5.580
   70    HDA  MK8   7          HD12      MK8   7   0.080   1.745   5.260
   71    HE   MK8   7           HE1      MK8   7   0.497   4.345   6.659
   72    HG   MK8   7          HG11      MK8   7  -0.158   3.264   3.281
   73    HGA  MK8   7          HG12      MK8   7   1.493   3.732   3.538
   74    HB1  MK8   7          HB21      MK8   7   1.812  -0.522   4.078
   75   HB1A  MK8   7          HB22      MK8   7   0.317  -1.438   3.886
   76   HB1B  MK8   7          HB23      MK8   7   0.334   0.040   4.843
   77    H    ARG   8           HN       ARG   8  -0.972   0.983   0.524
   78    HA   ARG   8           HA       ARG   8  -3.341   2.085   1.701
   79    HB2  ARG   8           HB2      ARG   8  -2.584   1.436  -1.131
   80    HB3  ARG   8           HB1      ARG   8  -4.087   2.232  -0.695
   81    HG2  ARG   8           HG2      ARG   8  -2.702   3.996   0.435
   82    HG3  ARG   8           HG1      ARG   8  -1.281   3.241  -0.282
   83    HD2  ARG   8           HD2      ARG   8  -2.234   3.602  -2.501
   84    HD3  ARG   8           HD1      ARG   8  -3.658   4.344  -1.777
   85    HE   ARG   8           HE       ARG   8  -1.370   5.723  -0.895
   86   HH11  ARG   8          HH11      ARG   8  -3.179   5.390  -3.946
   87   HH12  ARG   8          HH12      ARG   8  -2.708   6.944  -4.546
   88   HH21  ARG   8          HH21      ARG   8  -0.754   7.753  -1.757
   89   HH22  ARG   8          HH22      ARG   8  -1.323   8.273  -3.303
   90    H    LEU   9           HN       LEU   9  -2.663  -1.051   0.122
   91    HA   LEU   9           HA       LEU   9  -5.340  -1.953  -0.079
   92    HB2  LEU   9           HB2      LEU   9  -3.318  -2.768  -1.388
   93    HB3  LEU   9           HB1      LEU   9  -2.867  -3.658   0.044
   94    HG   LEU   9           HG       LEU   9  -5.246  -4.724  -0.180
   95   HD11  LEU   9          HD11      LEU   9  -5.254  -4.884  -2.963
   96   HD12  LEU   9          HD12      LEU   9  -5.080  -3.167  -2.619
   97   HD13  LEU   9          HD13      LEU   9  -6.440  -4.068  -1.947
   98   HD21  LEU   9          HD21      LEU   9  -2.664  -5.360  -1.412
   99   HD22  LEU   9          HD22      LEU   9  -4.040  -6.191  -2.140
  100   HD23  LEU   9          HD23      LEU   9  -3.722  -6.356  -0.420
  101    H    LEU  10           HN       LEU  10  -2.894  -2.072   2.433
  102    HA   LEU  10           HA       LEU  10  -4.080  -4.081   4.079
  103    HB2  LEU  10           HB2      LEU  10  -1.600  -3.053   3.922
  104    HB3  LEU  10           HB1      LEU  10  -2.181  -2.084   5.240
  105    HG   LEU  10           HG       LEU  10  -0.813  -3.896   6.054
  106   HD11  LEU  10          HD11      LEU  10  -3.151  -3.294   7.215
  107   HD12  LEU  10          HD12      LEU  10  -1.999  -4.451   7.885
  108   HD13  LEU  10          HD13      LEU  10  -3.376  -5.024   6.956
  109   HD21  LEU  10          HD21      LEU  10  -1.960  -6.299   5.843
  110   HD22  LEU  10          HD22      LEU  10  -0.731  -5.704   4.722
  111   HD23  LEU  10          HD23      LEU  10  -2.444  -5.610   4.293
  112    H    MK8  11           H        MK8  11  -3.586  -0.553   4.713
  113    HB   MK8  11          HB11      MK8  11  -5.145   2.164   6.583
  114    HBA  MK8  11          HB12      MK8  11  -4.854   1.917   4.878
  115    HD   MK8  11          HD11      MK8  11  -3.530   3.778   5.530
  116    HDA  MK8  11          HD12      MK8  11  -2.373   2.963   4.500
  117    HE   MK8  11           HE1      MK8  11  -1.779   4.664   6.904
  118    HG   MK8  11          HG11      MK8  11  -2.524   1.010   5.614
  119    HGA  MK8  11          HG12      MK8  11  -2.916   1.769   7.145
  120    HB1  MK8  11          HB21      MK8  11  -5.992  -1.118   7.590
  121   HB1A  MK8  11          HB22      MK8  11  -5.570   0.522   8.080
  122   HB1B  MK8  11          HB23      MK8  11  -4.298  -0.672   7.811
  123    H    ASP  12           HN       ASP  12  -6.134  -1.049   3.856
  124    HA   ASP  12           HA       ASP  12  -8.506   0.425   3.367
  125    HB2  ASP  12           HB2      ASP  12  -7.229  -0.845   1.631
  126    HB3  ASP  12           HB1      ASP  12  -7.825  -2.337   2.335
  127    H    SER  13           HN       SER  13  -7.986  -2.855   4.652
  128    HA   SER  13           HA       SER  13 -10.721  -3.400   5.263
  129    HB2  SER  13           HB2      SER  13  -8.165  -4.792   6.095
  130    HB3  SER  13           HB1      SER  13  -9.784  -5.407   6.446
  131    HG   SER  13           HG       SER  13  -8.335  -5.429   4.115
  132    HN1  NH2  14           HN1      NH2  14  -7.912  -2.539   7.221
  133    HN2  NH2  14           HN2      NH2  14  -8.800  -2.081   8.626
  Start of MODEL   10
    1    H1   ACE   0           H1       ACE   0   9.629   2.216  -6.316
    2    H2   ACE   0           H2       ACE   0   9.920   2.668  -4.639
    3    H3   ACE   0           H3       ACE   0   9.666   3.921  -5.861
    4    H    GLU   1           HN       GLU   1   7.504   2.596  -7.228
    5    HA   GLU   1           HA       GLU   1   5.269   3.498  -5.734
    6    HB2  GLU   1           HB2      GLU   1   5.663   3.476  -8.263
    7    HB3  GLU   1           HB1      GLU   1   5.120   1.800  -8.209
    8    HG2  GLU   1           HG2      GLU   1   2.976   2.535  -7.314
    9    HG3  GLU   1           HG1      GLU   1   3.526   4.208  -7.334
   10    H    LYS   2           HN       LYS   2   6.945   0.687  -5.328
   11    HA   LYS   2           HA       LYS   2   4.898  -1.284  -5.115
   12    HB2  LYS   2           HB2      LYS   2   7.373  -1.648  -5.581
   13    HB3  LYS   2           HB1      LYS   2   7.640  -1.427  -3.857
   14    HG2  LYS   2           HG2      LYS   2   6.178  -3.350  -3.406
   15    HG3  LYS   2           HG1      LYS   2   5.935  -3.560  -5.142
   16    HD2  LYS   2           HD2      LYS   2   8.339  -3.932  -5.429
   17    HD3  LYS   2           HD1      LYS   2   8.569  -3.714  -3.696
   18    HE2  LYS   2           HE2      LYS   2   7.161  -5.653  -3.248
   19    HE3  LYS   2           HE1      LYS   2   6.870  -5.841  -4.970
   20    HZ1  LYS   2           HZ1      LYS   2   9.004  -6.552  -5.352
   21    HZ2  LYS   2           HZ2      LYS   2   8.651  -7.282  -3.875
   22    HZ3  LYS   2           HZ3      LYS   2   9.616  -5.889  -3.920
   23    H    HIS   3           HN       HIS   3   6.653   0.754  -2.745
   24    HA   HIS   3           HA       HIS   3   5.537  -0.405  -0.379
   25    HB2  HIS   3           HB2      HIS   3   7.739   0.951  -0.612
   26    HB3  HIS   3           HB1      HIS   3   6.719   2.385  -0.579
   27    HD1  HIS   3           HD1      HIS   3   4.956   2.213   1.684
   28    HD2  HIS   3           HD2      HIS   3   8.730   0.477   1.888
   29    HE1  HIS   3           HE1      HIS   3   5.479   2.017   4.142
   30    HE2  HIS   3           HE2      HIS   3   7.757   0.935   4.223
   31    H    LYS   4           HN       LYS   4   4.587   2.213  -2.543
   32    HA   LYS   4           HA       LYS   4   2.637   3.466  -0.883
   33    HB2  LYS   4           HB2      LYS   4   2.948   3.435  -3.893
   34    HB3  LYS   4           HB1      LYS   4   1.785   4.434  -3.027
   35    HG2  LYS   4           HG2      LYS   4   3.719   5.433  -1.777
   36    HG3  LYS   4           HG1      LYS   4   4.789   4.591  -2.897
   37    HD2  LYS   4           HD2      LYS   4   3.747   5.758  -4.768
   38    HD3  LYS   4           HD1      LYS   4   2.674   6.604  -3.648
   39    HE2  LYS   4           HE2      LYS   4   4.580   7.663  -2.589
   40    HE3  LYS   4           HE1      LYS   4   5.689   6.770  -3.632
   41    HZ1  LYS   4           HZ1      LYS   4   4.354   7.881  -5.514
   42    HZ2  LYS   4           HZ2      LYS   4   5.506   8.799  -4.682
   43    HZ3  LYS   4           HZ3      LYS   4   3.861   8.974  -4.319
   44    H    ILE   5           HN       ILE   5   2.349   0.912  -3.424
   45    HA   ILE   5           HA       ILE   5  -0.478   0.714  -3.374
   46    HB   ILE   5           HB       ILE   5   0.894  -0.008  -5.319
   47   HG12  ILE   5          HG12      ILE   5  -0.255  -2.308  -5.690
   48   HG13  ILE   5          HG11      ILE   5  -1.107  -1.945  -4.202
   49   HG21  ILE   5          HG21      ILE   5   2.768  -1.122  -4.439
   50   HG22  ILE   5          HG22      ILE   5   1.860  -2.318  -5.360
   51   HG23  ILE   5          HG23      ILE   5   1.765  -2.312  -3.604
   52   HD11  ILE   5          HD11      ILE   5  -1.308  -0.625  -6.852
   53   HD12  ILE   5          HD12      ILE   5  -1.576   0.352  -5.417
   54   HD13  ILE   5          HD13      ILE   5  -2.576  -1.071  -5.705
   55    H    LEU   6           HN       LEU   6   2.059  -1.022  -1.539
   56    HA   LEU   6           HA       LEU   6   0.448  -3.017  -0.317
   57    HB2  LEU   6           HB2      LEU   6   2.987  -2.886  -0.454
   58    HB3  LEU   6           HB1      LEU   6   2.909  -1.786   0.901
   59    HG   LEU   6           HG       LEU   6   1.601  -3.735   2.057
   60   HD11  LEU   6          HD11      LEU   6   2.053  -5.912   1.358
   61   HD12  LEU   6          HD12      LEU   6   3.329  -5.389   0.256
   62   HD13  LEU   6          HD13      LEU   6   1.637  -5.069  -0.128
   63   HD21  LEU   6          HD21      LEU   6   4.373  -2.986   1.828
   64   HD22  LEU   6          HD22      LEU   6   4.205  -4.701   2.212
   65   HD23  LEU   6          HD23      LEU   6   3.454  -3.483   3.252
   66    H    MK8   7           H        MK8   7   1.503   0.198   0.897
   67    HB   MK8   7          HB11      MK8   7   1.518   2.114   1.452
   68    HBA  MK8   7          HB12      MK8   7   1.908   1.957   3.137
   69    HD   MK8   7          HD11      MK8   7  -1.305   3.053   3.739
   70    HDA  MK8   7          HD12      MK8   7  -0.782   4.699   3.980
   71    HE   MK8   7           HE1      MK8   7   1.076   3.456   5.599
   72    HG   MK8   7          HG11      MK8   7  -0.012   3.845   1.877
   73    HGA  MK8   7          HG12      MK8   7   1.343   4.187   2.920
   74    HB1  MK8   7          HB21      MK8   7   0.400   0.820   4.674
   75   HB1A  MK8   7          HB22      MK8   7   1.640  -0.174   3.900
   76   HB1B  MK8   7          HB23      MK8   7  -0.012  -0.774   4.035
   77    H    ARG   8           HN       ARG   8  -1.122   1.078   0.284
   78    HA   ARG   8           HA       ARG   8  -3.590   2.125   1.351
   79    HB2  ARG   8           HB2      ARG   8  -2.772   1.356  -1.448
   80    HB3  ARG   8           HB1      ARG   8  -4.321   2.084  -1.053
   81    HG2  ARG   8           HG2      ARG   8  -3.040   4.033  -0.102
   82    HG3  ARG   8           HG1      ARG   8  -1.585   3.331  -0.826
   83    HD2  ARG   8           HD2      ARG   8  -2.723   3.369  -3.020
   84    HD3  ARG   8           HD1      ARG   8  -4.100   4.161  -2.270
   85    HE   ARG   8           HE       ARG   8  -1.847   5.701  -1.691
   86   HH11  ARG   8          HH11      ARG   8  -3.706   4.934  -4.628
   87   HH12  ARG   8          HH12      ARG   8  -3.213   6.381  -5.447
   88   HH21  ARG   8          HH21      ARG   8  -1.283   7.591  -2.802
   89   HH22  ARG   8          HH22      ARG   8  -1.866   7.893  -4.405
   90    H    LEU   9           HN       LEU   9  -2.753  -1.042  -0.086
   91    HA   LEU   9           HA       LEU   9  -5.390  -2.036  -0.261
   92    HB2  LEU   9           HB2      LEU   9  -3.314  -2.798  -1.526
   93    HB3  LEU   9           HB1      LEU   9  -2.902  -3.700  -0.078
   94    HG   LEU   9           HG       LEU   9  -5.332  -4.709  -0.410
   95   HD11  LEU   9          HD11      LEU   9  -4.561  -3.931  -3.218
   96   HD12  LEU   9          HD12      LEU   9  -5.927  -3.306  -2.298
   97   HD13  LEU   9          HD13      LEU   9  -5.886  -5.002  -2.772
   98   HD21  LEU   9          HD21      LEU   9  -2.752  -5.569  -0.858
   99   HD22  LEU   9          HD22      LEU   9  -3.594  -5.964  -2.357
  100   HD23  LEU   9          HD23      LEU   9  -4.208  -6.563  -0.816
  101    H    LEU  10           HN       LEU  10  -2.895  -2.229   2.267
  102    HA   LEU  10           HA       LEU  10  -4.164  -4.250   3.852
  103    HB2  LEU  10           HB2      LEU  10  -1.698  -3.787   3.779
  104    HB3  LEU  10           HB1      LEU  10  -1.982  -2.330   4.683
  105    HG   LEU  10           HG       LEU  10  -2.994  -3.904   6.474
  106   HD11  LEU  10          HD11      LEU  10  -1.184  -6.031   5.948
  107   HD12  LEU  10          HD12      LEU  10  -2.278  -5.865   4.575
  108   HD13  LEU  10          HD13      LEU  10  -2.924  -6.089   6.199
  109   HD21  LEU  10          HD21      LEU  10  -0.732  -4.288   7.421
  110   HD22  LEU  10          HD22      LEU  10  -1.019  -2.641   6.871
  111   HD23  LEU  10          HD23      LEU  10  -0.052  -3.738   5.889
  112    H    MK8  11           H        MK8  11  -3.452  -0.823   4.781
  113    HB   MK8  11          HB11      MK8  11  -4.717   1.747   7.004
  114    HBA  MK8  11          HB12      MK8  11  -4.645   1.779   5.250
  115    HD   MK8  11          HD11      MK8  11  -2.658   2.929   7.484
  116    HDA  MK8  11          HD12      MK8  11  -2.730   3.336   5.783
  117    HE   MK8  11           HE1      MK8  11  -0.234   2.745   7.392
  118    HG   MK8  11          HG11      MK8  11  -2.394   0.969   5.228
  119    HGA  MK8  11          HG12      MK8  11  -2.453   0.573   6.949
  120    HB1  MK8  11          HB21      MK8  11  -5.045   0.061   8.242
  121   HB1A  MK8  11          HB22      MK8  11  -4.223  -1.401   7.712
  122   HB1B  MK8  11          HB23      MK8  11  -5.990  -1.331   7.700
  123    H    ASP  12           HN       ASP  12  -6.085  -1.056   3.901
  124    HA   ASP  12           HA       ASP  12  -8.361   0.604   3.648
  125    HB2  ASP  12           HB2      ASP  12  -7.202  -0.575   1.741
  126    HB3  ASP  12           HB1      ASP  12  -7.936  -2.070   2.310
  127    H    SER  13           HN       SER  13  -7.883  -2.713   4.855
  128    HA   SER  13           HA       SER  13 -10.630  -3.341   5.300
  129    HB2  SER  13           HB2      SER  13  -8.116  -4.602   6.374
  130    HB3  SER  13           HB1      SER  13  -9.734  -5.278   6.560
  131    HG   SER  13           HG       SER  13  -8.471  -6.093   4.766
  132    HN1  NH2  14           HN1      NH2  14  -7.977  -2.251   7.354
  133    HN2  NH2  14           HN2      NH2  14  -8.963  -1.806   8.704