*HEADER    SIGNALING PROTEIN/GROWTH FACTOR RECEPTOR13-OCT-04   1XR0              
*TITLE     STRUCTURAL BASIS OF SNT PTB DOMAIN INTERACTIONS WITH                  
*TITLE    2 DISTINCT NEUROTROPHIC RECEPTORS                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BASIC FIBROBLAST GROWTH FACTOR RECEPTOR 1;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 409-430 FROM THE                
*COMPND   5 JUXTAMEMBRANE REGION OF HFGFR1;                                      
*COMPND   6 SYNONYM: FGFR-1, BFGF-R, FMS-LIKE TYROSINE KINASE-2, C-FGR;          
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: FGFR SIGNALLING ADAPTOR SNT-1;                             
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 FRAGMENT: PTB DOMAIN AT THE N TERMINUS;                              
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS TAKEN FROM HOMO SAPIENS (HUMAN).;                        
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   9 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    FGFR, SNT, PHOSPHOTYROSINE BINDING DOMAIN, PTB, TRK, NPXPY            
*KEYWDS   2 MOTIF,                                                               
*EXPDTA    NMR                                                                   
*AUTHOR    C.DHALLUIN, K.S.YAN, O.PLOTNIKOVA, K.W.LEE, L.ZENG, M.KUTI,           
*AUTHOR   2 S.MUJTABA, M.P.GOLDFARB, M.-M.ZHOU                                   
*REVDAT   1   02-NOV-04 1XR0    0                                                
!
!
!The last digit in peak ID is the spectrum number

ASSI { 30002}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 30002 weight  0.11000E+01 volume 20.00000 ppm1 1.022 ppm2 1.024
ASSI { 30012}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 30012 weight  0.11000E+01 volume 20.00000 ppm1 1.022 ppm2 0.706
ASSI { 30022}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 30022 weight  0.11000E+01 volume 20.00000 ppm1 3.977 ppm2 5.331
ASSI { 30032}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 30032 weight  0.11000E+01 volume 20.00000 ppm1 1.022 ppm2 1.084
ASSI {    02}
  (( segid "PTBd" and resid 87  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 02 weight  0.11000E+01 volume 847.35931 ppm1 3.593 ppm2 1.812
ASSI {    12}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12 weight  0.11000E+01 volume 284.69360 ppm1 1.808 ppm2 3.598
ASSI {    22}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 22 weight  0.11000E+01 volume 214.78630 ppm1 1.145 ppm2 5.182
ASSI {    32}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 32 weight  0.11000E+01 volume 325.70630 ppm1 5.183 ppm2 1.151
ASSI {    42}
  (( segid "PTBd" and resid 85  and name HB#  ))
  (( segid "PTBd" and resid 85  and name HA  ))
     6 6 0 peak 42 weight  0.11000E+01 volume 218.61211 ppm1 1.626 ppm2 4.569
ASSI {    52}
  (( segid "PTBd" and resid 85  and name HA  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 52 weight  0.11000E+01 volume 477.00821 ppm1 4.576 ppm2 1.630
ASSI {    62}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 62 weight  0.11000E+01 volume 172.97400 ppm1 0.555 ppm2 3.982
ASSI {    72}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 72 weight  0.11000E+01 volume 154.73590 ppm1 -0.068 ppm2 3.982
ASSI {    82}
  (( segid "PTBd" and resid 48  and name HB  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 82 weight  0.11000E+01 volume 104.39780 ppm1 1.437 ppm2 3.982
ASSI {    92}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 92 weight  0.11000E+01 volume 114.81660 ppm1 0.557 ppm2 1.445
ASSI {   102}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 102 weight  0.11000E+01 volume 44.38120 ppm1 -0.068 ppm2 1.445
ASSI {   112}
  (( segid "PTBd" and resid 48  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 112 weight  0.11000E+01 volume 131.10690 ppm1 1.438 ppm2 0.567
ASSI {   122}
  (( segid "PTBd" and resid 48  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 122 weight  0.11000E+01 volume 190.07021 ppm1 1.437 ppm2 -0.063
ASSI {   132}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 132 weight  0.11000E+01 volume 68.28710 ppm1 2.277 ppm2 5.586
ASSI {   142}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 142 weight  0.11000E+01 volume 106.25620 ppm1 0.619 ppm2 5.585
ASSI {   152}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 152 weight  0.11000E+01 volume 18.22120 ppm1 0.786 ppm2 5.585
ASSI {   162}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 162 weight  0.11000E+01 volume 47.04810 ppm1 0.622 ppm2 2.280
ASSI {   172}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 172 weight  0.11000E+01 volume 69.41760 ppm1 0.786 ppm2 2.280
ASSI {   182}
  (( segid "PTBd" and resid 16  and name HA  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 182 weight  0.11000E+01 volume 77.09120 ppm1 5.585 ppm2 0.615
ASSI {   192}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 192 weight  0.11000E+01 volume 246.46030 ppm1 2.272 ppm2 0.615
ASSI {   202}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 202 weight  0.11000E+01 volume 170.60260 ppm1 2.271 ppm2 0.794
ASSI {   212}
  (( segid "PTBd" and resid 16  and name HA  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 212 weight  0.11000E+01 volume 212.90500 ppm1 5.586 ppm2 0.795
ASSI {   222}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 222 weight  0.11000E+01 volume 208.28860 ppm1 5.540 ppm2 1.881
ASSI {   232}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 232 weight  0.11000E+01 volume 149.45290 ppm1 0.814 ppm2 1.881
ASSI {   242}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 242 weight  0.11000E+01 volume 51.97070 ppm1 0.638 ppm2 1.881
ASSI {   252}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 252 weight  0.11000E+01 volume 250.48550 ppm1 1.883 ppm2 5.541
ASSI {   262}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 262 weight  0.11000E+01 volume 229.96080 ppm1 0.814 ppm2 5.541
ASSI {   272}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 272 weight  0.11000E+01 volume 84.78560 ppm1 0.637 ppm2 5.541
ASSI {   282}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 282 weight  0.11000E+01 volume 98.73790 ppm1 5.544 ppm2 0.637
ASSI {   292}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 292 weight  0.11000E+01 volume 156.77710 ppm1 1.883 ppm2 0.637
ASSI {   302}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 302 weight  0.11000E+01 volume 326.21640 ppm1 5.545 ppm2 0.817
ASSI {   312}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 312 weight  0.11000E+01 volume 901.70502 ppm1 1.883 ppm2 0.817
ASSI {   322}
  (( segid "PTBd" and resid 105  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 322 weight  0.11000E+01 volume 114.82500 ppm1 1.911 ppm2 0.909
ASSI {   332}
  (( segid "PTBd" and resid 105  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 332 weight  0.11000E+01 volume 229.35440 ppm1 1.911 ppm2 0.863
ASSI {   342}
  (( segid "PTBd" and resid 105  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 342 weight  0.11000E+01 volume 69.77440 ppm1 4.949 ppm2 0.863
ASSI {   352}
  (( segid "PTBd" and resid 105  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 352 weight  0.11000E+01 volume 217.64861 ppm1 4.949 ppm2 0.910
ASSI {   362}
  (( segid "PTBd" and resid 105  and name HB  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 362 weight  0.11000E+01 volume 89.94890 ppm1 1.912 ppm2 4.954
ASSI {   372}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 372 weight  0.11000E+01 volume 136.62820 ppm1 0.909 ppm2 4.954
ASSI {   382}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 382 weight  0.11000E+01 volume 78.37610 ppm1 0.854 ppm2 4.954
ASSI {   392}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 392 weight  0.11000E+01 volume 248.29269 ppm1 0.854 ppm2 1.923
ASSI {   402}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 402 weight  0.11000E+01 volume 508.73151 ppm1 0.908 ppm2 1.923
ASSI {   412}
  (( segid "PTBd" and resid 105  and name HA  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 412 weight  0.11000E+01 volume 110.34750 ppm1 4.950 ppm2 1.922
ASSI {   422}
  (( segid "PTBd" and resid 60  and name HB1  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 422 weight  0.11000E+01 volume 61.23230 ppm1 3.633 ppm2 5.748
ASSI {   432}
  (( segid "PTBd" and resid 60  and name HB2  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 432 weight  0.11000E+01 volume 78.29670 ppm1 2.941 ppm2 5.748
ASSI {   442}
  (( segid "PTBd" and resid 60  and name HA  ))
  (( segid "PTBd" and resid 60  and name HB1  ))
     6 6 0 peak 442 weight  0.11000E+01 volume 37.37220 ppm1 5.757 ppm2 3.642
ASSI {   452}
  (( segid "PTBd" and resid 60  and name HA  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 452 weight  0.11000E+01 volume 54.33220 ppm1 5.757 ppm2 2.939
ASSI {   462}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 58  and name HB1  ))
     6 6 0 peak 462 weight  0.11000E+01 volume 19.90820 ppm1 5.481 ppm2 3.486
ASSI {   472}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 58  and name HB2  ))
     6 6 0 peak 472 weight  0.11000E+01 volume 39.39880 ppm1 5.482 ppm2 3.190
ASSI {   482}
  (( segid "PTBd" and resid 58  and name HB1  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 482 weight  0.11000E+01 volume 104.87830 ppm1 3.490 ppm2 5.475
ASSI {   492}
  (( segid "PTBd" and resid 58  and name HB2  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 492 weight  0.11000E+01 volume 49.94710 ppm1 3.197 ppm2 5.474
ASSI {   502}
  (( segid "PTBd" and resid 41  and name HB2  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 502 weight  0.11000E+01 volume 64.71810 ppm1 2.922 ppm2 5.087
ASSI {   512}
  (( segid "PTBd" and resid 41  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 512 weight  0.11000E+01 volume 41.70250 ppm1 3.026 ppm2 5.087
ASSI {   522}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 522 weight  0.11000E+01 volume 21.99820 ppm1 5.082 ppm2 3.032
ASSI {   532}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 532 weight  0.11000E+01 volume 5.41220 ppm1 5.082 ppm2 2.941
ASSI {   542}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 65  and name HB1  ))
     6 6 0 peak 542 weight  0.11000E+01 volume 26.53300 ppm1 5.563 ppm2 3.123
ASSI {   552}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 65  and name HB2  ))
     6 6 0 peak 552 weight  0.11000E+01 volume 27.34000 ppm1 5.562 ppm2 2.805
ASSI {   562}
  (( segid "PTBd" and resid 65  and name HB1  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 562 weight  0.11000E+01 volume 45.51560 ppm1 3.131 ppm2 5.566
ASSI {   572}
  (( segid "PTBd" and resid 65  and name HB2  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 572 weight  0.11000E+01 volume 36.37820 ppm1 2.799 ppm2 5.566
ASSI {   582}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 91  and name HB1  ))
     6 6 0 peak 582 weight  0.11000E+01 volume 9.15460 ppm1 3.817 ppm2 3.101
ASSI {   592}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 91  and name HB2  ))
     6 6 0 peak 592 weight  0.11000E+01 volume 25.57750 ppm1 3.822 ppm2 2.988
ASSI {   602}
  (( segid "PTBd" and resid 91  and name HB1  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 602 weight  0.11000E+01 volume 25.52080 ppm1 3.111 ppm2 3.825
ASSI {   612}
  (( segid "PTBd" and resid 91  and name HB2  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 612 weight  0.11000E+01 volume 68.43550 ppm1 2.985 ppm2 3.825
ASSI {   622}
  (( segid "PTBd" and resid 48  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 622 weight  0.11000E+01 volume 239.90050 ppm1 3.969 ppm2 0.567
ASSI {   632}
  (( segid "PTBd" and resid 48  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 632 weight  0.11000E+01 volume 193.26010 ppm1 3.969 ppm2 -0.063
ASSI {   642}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 642 weight  0.11000E+01 volume 15.11060 ppm1 5.404 ppm2 3.035
ASSI {   652}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 652 weight  0.11000E+01 volume 68.40200 ppm1 5.404 ppm2 2.854
ASSI {   662}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 662 weight  0.11000E+01 volume 56.48540 ppm1 3.043 ppm2 5.407
ASSI {   672}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 672 weight  0.11000E+01 volume 75.41820 ppm1 2.857 ppm2 5.406
ASSI {   682}
  (( segid "PTBd" and resid 67  and name HA  ))
  (( segid "PTBd" and resid 67  and name HB1  ))
     6 6 0 peak 682 weight  0.11000E+01 volume 24.91850 ppm1 5.321 ppm2 3.261
ASSI {   692}
  (( segid "PTBd" and resid 67  and name HA  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 692 weight  0.11000E+01 volume 29.16920 ppm1 5.321 ppm2 2.899
ASSI {   702}
  (( segid "PTBd" and resid 67  and name HB1  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 702 weight  0.11000E+01 volume 58.12830 ppm1 3.250 ppm2 5.314
ASSI {   712}
  (( segid "PTBd" and resid 67  and name HB2  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 712 weight  0.11000E+01 volume 56.72450 ppm1 2.908 ppm2 5.315
ASSI {   722}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 722 weight  0.11000E+01 volume 12.76990 ppm1 -0.047 ppm2 3.642
ASSI {   732}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 732 weight  0.11000E+01 volume 48.43130 ppm1 0.216 ppm2 3.642
ASSI {   742}
  (( segid "PTBd" and resid 94  and name HB2  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 742 weight  0.11000E+01 volume 25.94040 ppm1 0.963 ppm2 3.643
ASSI {   752}
  (( segid "PTBd" and resid 94  and name HB1  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 752 weight  0.11000E+01 volume 42.87670 ppm1 1.261 ppm2 3.643
ASSI {   762}
  (( segid "PTBd" and resid 94  and name HG  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 762 weight  0.11000E+01 volume 14.77690 ppm1 0.770 ppm2 3.642
ASSI {   772}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 772 weight  0.11000E+01 volume 23.39410 ppm1 3.634 ppm2 1.248
ASSI {   782}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 782 weight  0.11000E+01 volume 36.80720 ppm1 3.634 ppm2 0.976
ASSI {   792}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 792 weight  0.11000E+01 volume 53.87540 ppm1 0.216 ppm2 1.248
ASSI {   802}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 802 weight  0.11000E+01 volume 90.38960 ppm1 -0.047 ppm2 1.248
ASSI {   812}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 812 weight  0.11000E+01 volume 62.71420 ppm1 -0.047 ppm2 0.977
ASSI {   822}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 822 weight  0.11000E+01 volume 48.31960 ppm1 0.216 ppm2 0.977
ASSI {   832}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 832 weight  0.11000E+01 volume 65.56810 ppm1 0.758 ppm2 0.209
ASSI {   842}
  (( segid "PTBd" and resid 94  and name HB2  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 842 weight  0.11000E+01 volume 117.83230 ppm1 0.971 ppm2 0.209
ASSI {   852}
  (( segid "PTBd" and resid 94  and name HB1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 852 weight  0.11000E+01 volume 72.04950 ppm1 1.254 ppm2 0.209
ASSI {   862}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 862 weight  0.11000E+01 volume 123.27780 ppm1 3.634 ppm2 0.209
ASSI {   872}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 872 weight  0.11000E+01 volume 330.15509 ppm1 0.757 ppm2 -0.041
ASSI {   882}
  (( segid "PTBd" and resid 94  and name HB2  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 882 weight  0.11000E+01 volume 130.47400 ppm1 0.971 ppm2 -0.040
ASSI {   892}
  (( segid "PTBd" and resid 94  and name HB1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 892 weight  0.11000E+01 volume 171.00810 ppm1 1.254 ppm2 -0.040
ASSI {   902}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 902 weight  0.11000E+01 volume 50.45430 ppm1 3.634 ppm2 -0.039
ASSI {   912}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 912 weight  0.11000E+01 volume 113.94740 ppm1 2.997 ppm2 -0.584
ASSI {   922}
  (( segid "PTBd" and resid 90  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 922 weight  0.11000E+01 volume 49.91320 ppm1 0.902 ppm2 -0.584
ASSI {   932}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 932 weight  0.11000E+01 volume 80.81220 ppm1 0.291 ppm2 -0.585
ASSI {   942}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 942 weight  0.11000E+01 volume 52.78150 ppm1 2.997 ppm2 -0.247
ASSI {   952}
  (( segid "PTBd" and resid 90  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 952 weight  0.11000E+01 volume 74.51680 ppm1 0.900 ppm2 -0.247
ASSI {   962}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 962 weight  0.11000E+01 volume 87.31980 ppm1 0.291 ppm2 -0.247
ASSI {   972}
  (( segid "PTBd" and resid 90  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 972 weight  0.11000E+01 volume 9.63300 ppm1 0.908 ppm2 3.010
ASSI {   982}
  (( segid "PTBd" and resid 90  and name HB2  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 982 weight  0.11000E+01 volume 52.29760 ppm1 0.275 ppm2 3.010
ASSI {   992}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 992 weight  0.11000E+01 volume 57.55730 ppm1 -0.253 ppm2 3.010
ASSI {  1002}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HB1  ))
     6 6 0 peak 1002 weight  0.11000E+01 volume 85.32100 ppm1 -0.258 ppm2 0.908
ASSI {  1012}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HB2  ))
     6 6 0 peak 1012 weight  0.11000E+01 volume 84.42830 ppm1 -0.258 ppm2 0.275
ASSI {  1022}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 1022 weight  0.11000E+01 volume 25.58600 ppm1 5.398 ppm2 0.773
ASSI {  1032}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 1032 weight  0.11000E+01 volume 130.49620 ppm1 5.398 ppm2 0.817
ASSI {  1042}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 1042 weight  0.11000E+01 volume 74.06090 ppm1 5.396 ppm2 1.383
ASSI {  1052}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 1052 weight  0.11000E+01 volume 126.79570 ppm1 5.396 ppm2 1.520
ASSI {  1062}
  (( segid "PTBd" and resid 64  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1062 weight  0.11000E+01 volume 32.40330 ppm1 1.520 ppm2 5.407
ASSI {  1072}
  (( segid "PTBd" and resid 64  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1072 weight  0.11000E+01 volume 72.91660 ppm1 1.384 ppm2 5.407
ASSI {  1082}
  (( segid "PTBd" and resid 64  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1082 weight  0.11000E+01 volume 85.19140 ppm1 0.823 ppm2 5.407
ASSI {  1092}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1092 weight  0.11000E+01 volume 56.49630 ppm1 0.786 ppm2 5.407
ASSI {  1102}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 1102 weight  0.11000E+01 volume 84.70280 ppm1 0.786 ppm2 1.383
ASSI {  1112}
  (( segid "PTBd" and resid 64  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 1112 weight  0.11000E+01 volume 63.69920 ppm1 0.823 ppm2 1.383
ASSI {  1122}
  (( segid "PTBd" and resid 64  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 1122 weight  0.11000E+01 volume 66.60050 ppm1 0.823 ppm2 1.519
ASSI {  1132}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 1132 weight  0.11000E+01 volume 62.40030 ppm1 0.786 ppm2 1.519
ASSI {  1142}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 64  and name HG  ))
     6 6 0 peak 1142 weight  0.11000E+01 volume 118.79570 ppm1 5.396 ppm2 1.473
ASSI {  1152}
  (( segid "PTBd" and resid 64  and name HG  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1152 weight  0.11000E+01 volume 43.63490 ppm1 1.470 ppm2 5.407
ASSI {  1162}
  (( segid "PTBd" and resid 64  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 1162 weight  0.11000E+01 volume 188.57179 ppm1 1.520 ppm2 0.817
ASSI {  1172}
  (( segid "PTBd" and resid 64  and name HG  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 1172 weight  0.11000E+01 volume 285.33109 ppm1 1.473 ppm2 0.817
ASSI {  1182}
  (( segid "PTBd" and resid 64  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 1182 weight  0.11000E+01 volume 66.76660 ppm1 1.384 ppm2 0.817
ASSI {  1192}
  (( segid "PTBd" and resid 64  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 1192 weight  0.11000E+01 volume 146.89850 ppm1 1.520 ppm2 0.773
ASSI {  1202}
  (( segid "PTBd" and resid 64  and name HG  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 1202 weight  0.11000E+01 volume 293.39920 ppm1 1.473 ppm2 0.773
ASSI {  1212}
  (( segid "PTBd" and resid 64  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 1212 weight  0.11000E+01 volume 132.85880 ppm1 1.384 ppm2 0.773
ASSI {  1222}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 1222 weight  0.11000E+01 volume 39.57830 ppm1 4.886 ppm2 0.409
ASSI {  1232}
  (( segid "PTBd" and resid 38  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 1232 weight  0.11000E+01 volume 49.90600 ppm1 1.714 ppm2 0.410
ASSI {  1242}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 1242 weight  0.11000E+01 volume 141.96429 ppm1 1.495 ppm2 0.410
ASSI {  1252}
  (( segid "PTBd" and resid 38  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 1252 weight  0.11000E+01 volume 65.30710 ppm1 1.587 ppm2 0.410
ASSI {  1262}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 1262 weight  0.11000E+01 volume 12.35170 ppm1 4.886 ppm2 0.299
ASSI {  1272}
  (( segid "PTBd" and resid 38  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 1272 weight  0.11000E+01 volume 155.00000 ppm1 1.715 ppm2 0.299
ASSI {  1282}
  (( segid "PTBd" and resid 38  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 1282 weight  0.11000E+01 volume 72.66650 ppm1 1.588 ppm2 0.299
ASSI {  1292}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 1292 weight  0.11000E+01 volume 225.35229 ppm1 1.496 ppm2 0.299
ASSI {  1302}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 1302 weight  0.11000E+01 volume 35.28880 ppm1 0.408 ppm2 1.722
ASSI {  1312}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 1312 weight  0.11000E+01 volume 27.48850 ppm1 0.406 ppm2 1.588
ASSI {  1322}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 1322 weight  0.11000E+01 volume 74.63380 ppm1 0.291 ppm2 1.588
ASSI {  1332}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 1332 weight  0.11000E+01 volume 41.48330 ppm1 0.291 ppm2 1.724
ASSI {  1342}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 1342 weight  0.11000E+01 volume 41.76250 ppm1 4.886 ppm2 1.588
ASSI {  1352}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 1352 weight  0.11000E+01 volume 49.11010 ppm1 4.886 ppm2 1.724
ASSI {  1362}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1362 weight  0.11000E+01 volume 6.38260 ppm1 0.406 ppm2 4.891
ASSI {  1372}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1372 weight  0.11000E+01 volume 2.37470 ppm1 0.291 ppm2 4.891
ASSI {  1382}
  (( segid "PTBd" and resid 38  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1382 weight  0.11000E+01 volume 136.27119 ppm1 1.724 ppm2 4.891
ASSI {  1392}
  (( segid "PTBd" and resid 38  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1392 weight  0.11000E+01 volume 55.54690 ppm1 1.586 ppm2 4.891
ASSI {  1402}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1402 weight  0.11000E+01 volume 34.58960 ppm1 1.495 ppm2 4.891
ASSI {  1412}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 1412 weight  0.11000E+01 volume 48.13990 ppm1 0.406 ppm2 1.494
ASSI {  1422}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 1422 weight  0.11000E+01 volume 99.28080 ppm1 0.291 ppm2 1.494
ASSI {  1432}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 1432 weight  0.11000E+01 volume 41.01350 ppm1 4.881 ppm2 1.494
ASSI {  1442}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 1442 weight  0.11000E+01 volume 36.52740 ppm1 5.009 ppm2 0.659
ASSI {  1452}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HB1  ))
     6 6 0 peak 1452 weight  0.11000E+01 volume 66.02300 ppm1 0.657 ppm2 1.702
ASSI {  1462}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HB2  ))
     6 6 0 peak 1462 weight  0.11000E+01 volume 215.08150 ppm1 0.657 ppm2 1.600
ASSI {  1472}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 1472 weight  0.11000E+01 volume 126.55900 ppm1 0.662 ppm2 5.000
ASSI {  1482}
  (( segid "PTBd" and resid 33  and name HB1  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 1482 weight  0.11000E+01 volume 131.57809 ppm1 1.702 ppm2 5.001
ASSI {  1492}
  (( segid "PTBd" and resid 33  and name HB2  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 1492 weight  0.11000E+01 volume 23.93920 ppm1 1.600 ppm2 5.001
ASSI {  1502}
  (( segid "PTBd" and resid 33  and name HB2  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 1502 weight  0.11000E+01 volume 98.54610 ppm1 1.600 ppm2 0.659
ASSI {  1512}
  (( segid "PTBd" and resid 33  and name HB1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 1512 weight  0.11000E+01 volume 296.73410 ppm1 1.702 ppm2 0.659
ASSI {  1522}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 33  and name HG  ))
     6 6 0 peak 1522 weight  0.11000E+01 volume 66.23840 ppm1 5.007 ppm2 1.700
ASSI {  1532}
  (( segid "PTBd" and resid 26  and name HA  ))
  (( segid "PTBd" and resid 26  and name HB1  ))
     6 6 0 peak 1532 weight  0.11000E+01 volume 80.93930 ppm1 4.524 ppm2 1.540
ASSI {  1542}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 26  and name HB1  ))
     6 6 0 peak 1542 weight  0.11000E+01 volume 120.05980 ppm1 0.556 ppm2 1.540
ASSI {  1552}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 26  and name HB1  ))
     6 6 0 peak 1552 weight  0.11000E+01 volume 183.63499 ppm1 0.630 ppm2 1.540
ASSI {  1562}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 1562 weight  0.11000E+01 volume 207.62711 ppm1 0.630 ppm2 4.524
ASSI {  1572}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 1572 weight  0.11000E+01 volume 49.62400 ppm1 0.556 ppm2 4.524
ASSI {  1582}
  (( segid "PTBd" and resid 26  and name HB1  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 1582 weight  0.11000E+01 volume 74.84090 ppm1 1.540 ppm2 4.524
ASSI {  1592}
  (( segid "PTBd" and resid 26  and name HG  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 1592 weight  0.11000E+01 volume 53.14200 ppm1 1.470 ppm2 4.524
ASSI {  1602}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 1602 weight  0.11000E+01 volume 270.30670 ppm1 0.556 ppm2 1.471
ASSI {  1612}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 1612 weight  0.11000E+01 volume 163.22830 ppm1 0.630 ppm2 1.471
ASSI {  1622}
  (( segid "PTBd" and resid 26  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 1622 weight  0.11000E+01 volume 191.69020 ppm1 4.524 ppm2 0.638
ASSI {  1632}
  (( segid "PTBd" and resid 26  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 1632 weight  0.11000E+01 volume 30.39230 ppm1 4.524 ppm2 0.569
ASSI {  1642}
  (( segid "PTBd" and resid 40  and name HA  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 1642 weight  0.11000E+01 volume 89.25160 ppm1 5.240 ppm2 0.704
ASSI {  1652}
  (( segid "PTBd" and resid 40  and name HA  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 1652 weight  0.11000E+01 volume 30.56590 ppm1 5.240 ppm2 1.021
ASSI {  1662}
  (( segid "PTBd" and resid 40  and name HG  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 1662 weight  0.11000E+01 volume 36.69940 ppm1 1.340 ppm2 1.021
ASSI {  1672}
  (( segid "PTBd" and resid 40  and name HG  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 1672 weight  0.11000E+01 volume 97.34990 ppm1 1.340 ppm2 0.704
ASSI {  1682}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 40  and name HG  ))
     6 6 0 peak 1682 weight  0.11000E+01 volume 170.62399 ppm1 1.025 ppm2 1.339
ASSI {  1692}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 40  and name HG  ))
     6 6 0 peak 1692 weight  0.11000E+01 volume 155.39700 ppm1 0.705 ppm2 1.339
ASSI {  1702}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 40  and name HB1  ))
     6 6 0 peak 1702 weight  0.11000E+01 volume 44.56110 ppm1 1.023 ppm2 2.038
ASSI {  1712}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 40  and name HB1  ))
     6 6 0 peak 1712 weight  0.11000E+01 volume 30.40840 ppm1 0.704 ppm2 2.038
ASSI {  1722}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 40  and name HB2  ))
     6 6 0 peak 1722 weight  0.11000E+01 volume 24.53710 ppm1 0.708 ppm2 1.270
ASSI {  1732}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 40  and name HB2  ))
     6 6 0 peak 1732 weight  0.11000E+01 volume 29.36360 ppm1 1.022 ppm2 1.270
ASSI {  1742}
  (( segid "PTBd" and resid 40  and name HG  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 1742 weight  0.11000E+01 volume 26.40400 ppm1 1.340 ppm2 5.226
ASSI {  1752}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 1752 weight  0.11000E+01 volume 34.30780 ppm1 1.024 ppm2 5.226
ASSI {  1762}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 1762 weight  0.11000E+01 volume 125.80340 ppm1 0.706 ppm2 5.226
ASSI {  1772}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HB1  ))
     6 6 0 peak 1772 weight  0.11000E+01 volume 33.75420 ppm1 0.751 ppm2 2.198
ASSI {  1782}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HB1  ))
     6 6 0 peak 1782 weight  0.11000E+01 volume 34.20710 ppm1 0.621 ppm2 2.197
ASSI {  1792}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HB2  ))
     6 6 0 peak 1792 weight  0.11000E+01 volume 49.52390 ppm1 0.751 ppm2 1.292
ASSI {  1802}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HB2  ))
     6 6 0 peak 1802 weight  0.11000E+01 volume 53.51240 ppm1 0.621 ppm2 1.292
ASSI {  1812}
  (( segid "PTBd" and resid 55  and name HA  ))
  (( segid "PTBd" and resid 55  and name HB1  ))
     6 6 0 peak 1812 weight  0.11000E+01 volume 20.88970 ppm1 4.609 ppm2 2.196
ASSI {  1822}
  (( segid "PTBd" and resid 55  and name HB1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 1822 weight  0.11000E+01 volume 87.97350 ppm1 2.195 ppm2 0.751
ASSI {  1832}
  (( segid "PTBd" and resid 55  and name HG  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 1832 weight  0.11000E+01 volume 69.00570 ppm1 1.990 ppm2 0.752
ASSI {  1842}
  (( segid "PTBd" and resid 55  and name HB1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 1842 weight  0.11000E+01 volume 64.75900 ppm1 2.196 ppm2 0.613
ASSI {  1852}
  (( segid "PTBd" and resid 55  and name HG  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 1852 weight  0.11000E+01 volume 158.39740 ppm1 1.989 ppm2 0.613
ASSI {  1862}
  (( segid "PTBd" and resid 55  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 1862 weight  0.11000E+01 volume 263.83289 ppm1 4.610 ppm2 0.613
ASSI {  1872}
  (( segid "PTBd" and resid 55  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 1872 weight  0.11000E+01 volume 41.56710 ppm1 4.610 ppm2 0.751
ASSI {  1882}
  (( segid "PTBd" and resid 55  and name HB2  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 1882 weight  0.11000E+01 volume 219.67250 ppm1 1.300 ppm2 0.751
ASSI {  1892}
  (( segid "PTBd" and resid 55  and name HB2  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 1892 weight  0.11000E+01 volume 190.42400 ppm1 1.299 ppm2 0.613
ASSI {  1902}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HA  ))
     6 6 0 peak 1902 weight  0.11000E+01 volume 16.70710 ppm1 0.751 ppm2 4.614
ASSI {  1912}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HA  ))
     6 6 0 peak 1912 weight  0.11000E+01 volume 78.61870 ppm1 0.622 ppm2 4.614
ASSI {  1922}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HG  ))
     6 6 0 peak 1922 weight  0.11000E+01 volume 50.08450 ppm1 0.753 ppm2 1.993
ASSI {  1932}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HG  ))
     6 6 0 peak 1932 weight  0.11000E+01 volume 94.25010 ppm1 0.616 ppm2 1.993
ASSI {  1942}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 53  and name HB2  ))
     6 6 0 peak 1942 weight  0.11000E+01 volume 113.19330 ppm1 4.306 ppm2 1.658
ASSI {  1952}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 53  and name HB1  ))
     6 6 0 peak 1952 weight  0.11000E+01 volume 38.17360 ppm1 4.306 ppm2 1.812
ASSI {  1962}
  (( segid "PTBd" and resid 53  and name HD1#  ))
  (( segid "PTBd" and resid 53  and name HB2  ))
     6 6 0 peak 1962 weight  0.11000E+01 volume 536.99939 ppm1 0.926 ppm2 1.658
ASSI {  1972}
  (( segid "PTBd" and resid 53  and name HD1#  ))
  (( segid "PTBd" and resid 53  and name HB1  ))
     6 6 0 peak 1972 weight  0.11000E+01 volume 181.28830 ppm1 0.926 ppm2 1.812
ASSI {  1982}
  (( segid "PTBd" and resid 79  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 1982 weight  0.11000E+01 volume 132.96181 ppm1 0.501 ppm2 1.182
ASSI {  1992}
  (( segid "PTBd" and resid 79  and name HB  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 1992 weight  0.11000E+01 volume 180.64220 ppm1 1.180 ppm2 0.501
ASSI {  2002}
  (( segid "PTBd" and resid 79  and name HA  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 2002 weight  0.11000E+01 volume 41.64540 ppm1 4.182 ppm2 0.501
ASSI {  2012}
  (( segid "PTBd" and resid 79  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HG11  ))
     6 6 0 peak 2012 weight  0.11000E+01 volume 134.14909 ppm1 0.501 ppm2 1.392
ASSI {  2022}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 2022 weight  0.11000E+01 volume 138.16879 ppm1 0.546 ppm2 1.182
ASSI {  2032}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 79  and name HG11  ))
     6 6 0 peak 2032 weight  0.11000E+01 volume 133.82880 ppm1 0.546 ppm2 1.392
ASSI {  2042}
  (( segid "FGFR" and resid 209  and name HG  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 2042 weight  0.11000E+01 volume 97.39160 ppm1 1.185 ppm2 0.546
ASSI {  2052}
  (( segid "PTBd" and resid 79  and name HG11  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 2052 weight  0.11000E+01 volume 116.75400 ppm1 1.383 ppm2 0.546
ASSI {  2062}
  (( segid "PTBd" and resid 79  and name HG11  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 2062 weight  0.11000E+01 volume 135.76060 ppm1 1.382 ppm2 0.501
ASSI {  2072}
  (( segid "PTBd" and resid 79  and name HA  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 2072 weight  0.11000E+01 volume 64.61210 ppm1 4.181 ppm2 0.546
ASSI {  2082}
  (( segid "PTBd" and resid 79  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 2082 weight  0.11000E+01 volume 20.35270 ppm1 0.501 ppm2 4.185
ASSI {  2092}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 2092 weight  0.11000E+01 volume 26.17910 ppm1 0.546 ppm2 4.185
ASSI {  2102}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 2102 weight  0.11000E+01 volume 77.34910 ppm1 0.224 ppm2 1.631
ASSI {  2112}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 2112 weight  0.11000E+01 volume 122.51400 ppm1 0.745 ppm2 1.631
ASSI {  2122}
  (( segid "PTBd" and resid 39  and name HB  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 2122 weight  0.11000E+01 volume 180.98370 ppm1 1.630 ppm2 0.229
ASSI {  2132}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 2132 weight  0.11000E+01 volume 83.45380 ppm1 0.567 ppm2 0.229
ASSI {  2142}
  (( segid "PTBd" and resid 39  and name HG11  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 2142 weight  0.11000E+01 volume 168.20560 ppm1 1.465 ppm2 0.229
ASSI {  2152}
  (( segid "PTBd" and resid 39  and name HG11  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 2152 weight  0.11000E+01 volume 440.75610 ppm1 1.466 ppm2 0.750
ASSI {  2162}
  (( segid "PTBd" and resid 39  and name HB  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 2162 weight  0.11000E+01 volume 100.22750 ppm1 1.629 ppm2 0.750
ASSI {  2172}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HG12  ))
     6 6 0 peak 2172 weight  0.11000E+01 volume 58.15300 ppm1 0.224 ppm2 0.569
ASSI {  2182}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 2182 weight  0.11000E+01 volume 49.95810 ppm1 0.224 ppm2 4.683
ASSI {  2192}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 2192 weight  0.11000E+01 volume 36.44710 ppm1 0.745 ppm2 4.683
ASSI {  2202}
  (( segid "PTBd" and resid 39  and name HB  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 2202 weight  0.11000E+01 volume 8.49550 ppm1 1.632 ppm2 4.684
ASSI {  2212}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 2212 weight  0.11000E+01 volume 219.73050 ppm1 4.993 ppm2 0.772
ASSI {  2222}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 2222 weight  0.11000E+01 volume 136.02341 ppm1 4.993 ppm2 0.773
ASSI {  2232}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 2232 weight  0.11000E+01 volume 15.20970 ppm1 4.989 ppm2 1.791
ASSI {  2242}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 2242 weight  0.11000E+01 volume 19.24710 ppm1 1.787 ppm2 0.772
ASSI {  2252}
  (( segid "PTBd" and resid 30  and name HG11  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 2252 weight  0.11000E+01 volume 289.48431 ppm1 1.498 ppm2 0.772
ASSI {  2262}
  (( segid "PTBd" and resid 30  and name HG12  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 2262 weight  0.11000E+01 volume 245.43710 ppm1 1.229 ppm2 0.772
ASSI {  2272}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 2272 weight  0.11000E+01 volume 213.42500 ppm1 1.787 ppm2 0.773
ASSI {  2282}
  (( segid "PTBd" and resid 30  and name HG11  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 2282 weight  0.11000E+01 volume 148.51860 ppm1 1.498 ppm2 0.773
ASSI {  2292}
  (( segid "PTBd" and resid 30  and name HG12  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 2292 weight  0.11000E+01 volume 138.00050 ppm1 1.230 ppm2 0.773
ASSI {  2302}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 2302 weight  0.11000E+01 volume 62.62400 ppm1 0.775 ppm2 1.791
ASSI {  2312}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG11  ))
     6 6 0 peak 2312 weight  0.11000E+01 volume 70.87270 ppm1 4.989 ppm2 1.495
ASSI {  2322}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 30  and name HG11  ))
     6 6 0 peak 2322 weight  0.11000E+01 volume 81 ppm1 0.776 ppm2 1.495
ASSI {  2332}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 30  and name HG12  ))
     6 6 0 peak 2332 weight  0.11000E+01 volume 36.4452 ppm1 0.772 ppm2 1.233
ASSI {  2342}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 2342 weight  0.11000E+01 volume 306.49509 ppm1 0.773 ppm2 4.999
ASSI {  2352}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 2352 weight  0.11000E+01 volume 49.69800 ppm1 4.842 ppm2 0.887
ASSI {  2362}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 2362 weight  0.11000E+01 volume 100.43450 ppm1 4.842 ppm2 0.887
ASSI {  2372}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 2372 weight  0.11000E+01 volume 202.31160 ppm1 0.895 ppm2 1.718
ASSI {  2382}
  (( segid "PTBd" and resid 17  and name HB  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 2382 weight  0.11000E+01 volume 500.90561 ppm1 1.710 ppm2 0.887
ASSI {  2392}
  (( segid "PTBd" and resid 17  and name HG11  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 2392 weight  0.11000E+01 volume 309.62720 ppm1 1.631 ppm2 0.887
ASSI {  2402}
  (( segid "PTBd" and resid 17  and name HG12  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 2402 weight  0.11000E+01 volume 685.15759 ppm1 1.133 ppm2 0.887
ASSI {  2412}
  (( segid "PTBd" and resid 17  and name HG12  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 2412 weight  0.11000E+01 volume 100.66780 ppm1 1.133 ppm2 0.887
ASSI {  2422}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 2422 weight  0.11000E+01 volume 112.01960 ppm1 1.707 ppm2 0.887
ASSI {  2432}
  (( segid "PTBd" and resid 17  and name HG11  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 2432 weight  0.11000E+01 volume 44.22730 ppm1 1.630 ppm2 0.887
ASSI {  2442}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG12  ))
     6 6 0 peak 2442 weight  0.11000E+01 volume 20.38410 ppm1 4.847 ppm2 1.133
ASSI {  2452}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG11  ))
     6 6 0 peak 2452 weight  0.11000E+01 volume 35.01400 ppm1 4.847 ppm2 1.630
ASSI {  2462}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 17  and name HG12  ))
     6 6 0 peak 2462 weight  0.11000E+01 volume 116.16590 ppm1 0.895 ppm2 1.133
ASSI {  2472}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 17  and name HG11  ))
     6 6 0 peak 2472 weight  0.11000E+01 volume 263.93689 ppm1 0.895 ppm2 1.630
ASSI {  2482}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 2482 weight  0.11000E+01 volume 25.92730 ppm1 0.895 ppm2 4.840
ASSI {  2492}
  (( segid "PTBd" and resid 97  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 2492 weight  0.11000E+01 volume 90.08590 ppm1 0.697 ppm2 3.574
ASSI {  2502}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 2502 weight  0.11000E+01 volume 40.91390 ppm1 0.588 ppm2 3.573
ASSI {  2512}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 2512 weight  0.11000E+01 volume 89.13460 ppm1 3.573 ppm2 0.591
ASSI {  2522}
  (( segid "PTBd" and resid 97  and name HG11  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 2522 weight  0.11000E+01 volume 96.83130 ppm1 1.694 ppm2 0.591
ASSI {  2532}
  (( segid "PTBd" and resid 97  and name HB  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 2532 weight  0.11000E+01 volume 115.49360 ppm1 1.566 ppm2 0.591
ASSI {  2542}
  (( segid "PTBd" and resid 97  and name HG12  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 2542 weight  0.11000E+01 volume 193.08591 ppm1 0.931 ppm2 0.704
ASSI {  2552}
  (( segid "PTBd" and resid 97  and name HG11  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 2552 weight  0.11000E+01 volume 364.95529 ppm1 1.694 ppm2 0.704
ASSI {  2562}
  (( segid "PTBd" and resid 97  and name HB  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 2562 weight  0.11000E+01 volume 238.17490 ppm1 1.566 ppm2 0.704
ASSI {  2572}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 2572 weight  0.11000E+01 volume 70.04220 ppm1 0.590 ppm2 1.564
ASSI {  2582}
  (( segid "PTBd" and resid 97  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 2582 weight  0.11000E+01 volume 56.13560 ppm1 0.698 ppm2 1.564
ASSI {  2592}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG11  ))
     6 6 0 peak 2592 weight  0.11000E+01 volume 43.44020 ppm1 3.572 ppm2 1.700
ASSI {  2602}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG12  ))
     6 6 0 peak 2602 weight  0.11000E+01 volume 41.22600 ppm1 3.575 ppm2 0.931
ASSI {  2612}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 97  and name HG12  ))
     6 6 0 peak 2612 weight  0.11000E+01 volume 36.95680 ppm1 0.590 ppm2 0.930
ASSI {  2622}
  (( segid "PTBd" and resid 97  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HG12  ))
     6 6 0 peak 2622 weight  0.11000E+01 volume 111.65310 ppm1 0.698 ppm2 0.930
ASSI {  2632}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 97  and name HG11  ))
     6 6 0 peak 2632 weight  0.11000E+01 volume 45.16280 ppm1 0.590 ppm2 1.700
ASSI {  2642}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 103  and name HB  ))
     6 6 0 peak 2642 weight  0.11000E+01 volume 41.74600 ppm1 4.073 ppm2 1.723
ASSI {  2652}
  (( segid "PTBd" and resid 103  and name HG2#  ))
  (( segid "PTBd" and resid 103  and name HB  ))
     6 6 0 peak 2652 weight  0.11000E+01 volume 120.73730 ppm1 0.858 ppm2 1.723
ASSI {  2662}
  (( segid "PTBd" and resid 103  and name HG2#  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 2662 weight  0.11000E+01 volume 348.35629 ppm1 0.859 ppm2 4.074
ASSI {  2672}
  (( segid "PTBd" and resid 103  and name HB  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 2672 weight  0.11000E+01 volume 57.25190 ppm1 1.721 ppm2 4.074
ASSI {  2682}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 2682 weight  0.11000E+01 volume 23.15850 ppm1 4.074 ppm2 0.885
ASSI {  2692}
  (( segid "PTBd" and resid 103  and name HB  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 2692 weight  0.11000E+01 volume 64.36950 ppm1 1.719 ppm2 0.885
ASSI {  2702}
  (( segid "PTBd" and resid 103  and name HG11  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 2702 weight  0.11000E+01 volume 240.04390 ppm1 1.539 ppm2 0.885
ASSI {  2712}
  (( segid "PTBd" and resid 103  and name HG12  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 2712 weight  0.11000E+01 volume 85.12310 ppm1 1.037 ppm2 0.885
ASSI {  2722}
  (( segid "PTBd" and resid 103  and name HG11  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 2722 weight  0.11000E+01 volume 55.16410 ppm1 1.539 ppm2 4.074
ASSI {  2732}
  (( segid "PTBd" and resid 103  and name HG12  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 2732 weight  0.11000E+01 volume 70.77090 ppm1 1.037 ppm2 4.074
ASSI {  2742}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 2742 weight  0.11000E+01 volume 292.42639 ppm1 4.074 ppm2 0.863
ASSI {  2752}
  (( segid "PTBd" and resid 103  and name HB  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 2752 weight  0.11000E+01 volume 157.03979 ppm1 1.719 ppm2 0.863
ASSI {  2762}
  (( segid "PTBd" and resid 103  and name HG11  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 2762 weight  0.11000E+01 volume 97.75600 ppm1 1.539 ppm2 0.863
ASSI {  2772}
  (( segid "PTBd" and resid 103  and name HG12  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 2772 weight  0.11000E+01 volume 160.10390 ppm1 1.037 ppm2 0.863
ASSI {  2782}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 103  and name HG12  ))
     6 6 0 peak 2782 weight  0.11000E+01 volume 65.62860 ppm1 4.075 ppm2 1.047
ASSI {  2792}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 103  and name HG11  ))
     6 6 0 peak 2792 weight  0.11000E+01 volume 298.96359 ppm1 4.075 ppm2 1.540
ASSI {  2802}
  (( segid "PTBd" and resid 54  and name HA  ))
  (( segid "PTBd" and resid 54  and name HB2  ))
     6 6 0 peak 2802 weight  0.11000E+01 volume 108.49810 ppm1 5.059 ppm2 2.963
ASSI {  2812}
  (( segid "PTBd" and resid 54  and name HA  ))
  (( segid "PTBd" and resid 54  and name HB1  ))
     6 6 0 peak 2812 weight  0.11000E+01 volume 72.16030 ppm1 5.059 ppm2 3.153
ASSI {  2822}
  (( segid "PTBd" and resid 54  and name HB2  ))
  (( segid "PTBd" and resid 54  and name HA  ))
     6 6 0 peak 2822 weight  0.11000E+01 volume 106.44020 ppm1 2.958 ppm2 5.067
ASSI {  2832}
  (( segid "PTBd" and resid 54  and name HB1  ))
  (( segid "PTBd" and resid 54  and name HA  ))
     6 6 0 peak 2832 weight  0.11000E+01 volume 203.36490 ppm1 3.149 ppm2 5.067
ASSI {  2842}
  (( segid "PTBd" and resid 73  and name HB1  ))
  (( segid "PTBd" and resid 73  and name HA  ))
     6 6 0 peak 2842 weight  0.11000E+01 volume 24.68160 ppm1 3.956 ppm2 4.863
ASSI {  2852}
  (( segid "PTBd" and resid 73  and name HB2  ))
  (( segid "PTBd" and resid 73  and name HA  ))
     6 6 0 peak 2852 weight  0.11000E+01 volume 60.39880 ppm1 3.124 ppm2 4.863
ASSI {  2862}
  (( segid "PTBd" and resid 73  and name HA  ))
  (( segid "PTBd" and resid 73  and name HB1  ))
     6 6 0 peak 2862 weight  0.11000E+01 volume 21.98650 ppm1 4.865 ppm2 3.952
ASSI {  2872}
  (( segid "PTBd" and resid 73  and name HA  ))
  (( segid "PTBd" and resid 73  and name HB2  ))
     6 6 0 peak 2872 weight  0.11000E+01 volume 38.95530 ppm1 4.866 ppm2 3.120
ASSI {  2882}
  (( segid "PTBd" and resid 36  and name HA  ))
  (( segid "PTBd" and resid 36  and name HB  ))
     6 6 0 peak 2882 weight  0.11000E+01 volume 266.58441 ppm1 4.357 ppm2 3.983
ASSI {  2892}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 36  and name HB  ))
     6 6 0 peak 2892 weight  0.11000E+01 volume 440.05240 ppm1 1.091 ppm2 3.982
ASSI {  2902}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 36  and name HA  ))
     6 6 0 peak 2902 weight  0.11000E+01 volume 242.99330 ppm1 1.091 ppm2 4.366
ASSI {  2912}
  (( segid "PTBd" and resid 36  and name HB  ))
  (( segid "PTBd" and resid 36  and name HA  ))
     6 6 0 peak 2912 weight  0.11000E+01 volume 152.52510 ppm1 3.985 ppm2 4.366
ASSI {  2922}
  (( segid "PTBd" and resid 36  and name HB  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 2922 weight  0.11000E+01 volume 690.40991 ppm1 3.987 ppm2 1.088
ASSI {  2932}
  (( segid "PTBd" and resid 36  and name HA  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 2932 weight  0.11000E+01 volume 561.61658 ppm1 4.358 ppm2 1.088
ASSI {  2942}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 75  and name HA  ))
     6 6 0 peak 2942 weight  0.11000E+01 volume 223.16389 ppm1 1.085 ppm2 4.144
ASSI {  2952}
  (( segid "PTBd" and resid 75  and name HB  ))
  (( segid "PTBd" and resid 75  and name HA  ))
     6 6 0 peak 2952 weight  0.11000E+01 volume 32.27660 ppm1 4.474 ppm2 4.145
ASSI {  2962}
  (( segid "PTBd" and resid 75  and name HA  ))
  (( segid "PTBd" and resid 75  and name HB  ))
     6 6 0 peak 2962 weight  0.11000E+01 volume 20.62140 ppm1 4.149 ppm2 4.479
ASSI {  2972}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 75  and name HB  ))
     6 6 0 peak 2972 weight  0.11000E+01 volume 191.82690 ppm1 1.084 ppm2 4.479
ASSI {  2982}
  (( segid "PTBd" and resid 75  and name HB  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 2982 weight  0.11000E+01 volume 393.48529 ppm1 4.474 ppm2 1.088
ASSI {  2992}
  (( segid "PTBd" and resid 75  and name HA  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 2992 weight  0.11000E+01 volume 163.24100 ppm1 4.148 ppm2 1.088
ASSI {  3002}
  (( segid "PTBd" and resid 42  and name HB  ))
  (( segid "PTBd" and resid 42  and name HA  ))
     6 6 0 peak 3002 weight  0.11000E+01 volume 73.88840 ppm1 4.445 ppm2 4.752
ASSI {  3012}
  (( segid "PTBd" and resid 42  and name HG2#  ))
  (( segid "PTBd" and resid 42  and name HA  ))
     6 6 0 peak 3012 weight  0.11000E+01 volume 108.75670 ppm1 1.259 ppm2 4.751
ASSI {  3022}
  (( segid "PTBd" and resid 42  and name HG2#  ))
  (( segid "PTBd" and resid 42  and name HB  ))
     6 6 0 peak 3022 weight  0.11000E+01 volume 291.23230 ppm1 1.260 ppm2 4.437
ASSI {  3032}
  (( segid "FGFR" and resid 204  and name HA  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 3032 weight  0.11000E+01 volume 332.24149 ppm1 4.446 ppm2 1.269
ASSI {  3042}
  (( segid "PTBd" and resid 42  and name HA  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 3042 weight  0.11000E+01 volume 253.77010 ppm1 4.754 ppm2 1.269
ASSI {  3052}
  (( segid "PTBd" and resid 47  and name HA  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 3052 weight  0.11000E+01 volume 112.33200 ppm1 5.146 ppm2 3.348
ASSI {  3062}
  (( segid "PTBd" and resid 47  and name HA  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 3062 weight  0.11000E+01 volume 104.19960 ppm1 5.146 ppm2 3.599
ASSI {  3072}
  (( segid "PTBd" and resid 47  and name HB1  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 3072 weight  0.11000E+01 volume 52.43160 ppm1 3.610 ppm2 5.151
ASSI {  3082}
  (( segid "PTBd" and resid 47  and name HB2  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 3082 weight  0.11000E+01 volume 52.72360 ppm1 3.352 ppm2 5.151
ASSI {  3092}
  (( segid "PTBd" and resid 66  and name HA  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 3092 weight  0.11000E+01 volume 55.12170 ppm1 5.409 ppm2 3.235
ASSI {  3102}
  (( segid "PTBd" and resid 66  and name HA  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 3102 weight  0.11000E+01 volume 80.81590 ppm1 5.409 ppm2 3.444
ASSI {  3112}
  (( segid "PTBd" and resid 66  and name HB1  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 3112 weight  0.11000E+01 volume 89.59830 ppm1 3.447 ppm2 5.406
ASSI {  3122}
  (( segid "PTBd" and resid 66  and name HB2  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 3122 weight  0.11000E+01 volume 80.72230 ppm1 3.232 ppm2 5.406
ASSI {  3132}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 28  and name HB1  ))
     6 6 0 peak 3132 weight  0.11000E+01 volume 125.27160 ppm1 5.427 ppm2 4.079
ASSI {  3142}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 3142 weight  0.11000E+01 volume 20.44570 ppm1 4.840 ppm2 4.049
ASSI {  3152}
  (( segid "PTBd" and resid 28  and name HB1  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 3152 weight  0.11000E+01 volume 54.50980 ppm1 4.079 ppm2 5.430
ASSI {  3162}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 3162 weight  0.11000E+01 volume 74.10730 ppm1 4.840 ppm2 5.430
ASSI {  3172}
  (( segid "PTBd" and resid 17  and name HG11  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 3172 weight  0.11000E+01 volume 22.86530 ppm1 1.630 ppm2 4.049
ASSI {  3182}
  (( segid "PTBd" and resid 17  and name HB  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 3182 weight  0.11000E+01 volume 8.72660 ppm1 1.717 ppm2 4.049
ASSI {  3192}
  (( segid "PTBd" and resid 17  and name HG12  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 3192 weight  0.11000E+01 volume 54.92780 ppm1 1.133 ppm2 4.049
ASSI {  3202}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 3202 weight  0.11000E+01 volume 99.11920 ppm1 0.895 ppm2 4.049
ASSI {  3212}
  (( segid "PTBd" and resid 17  and name HG11  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 3212 weight  0.11000E+01 volume 30.64840 ppm1 1.630 ppm2 5.430
ASSI {  3222}
  (( segid "PTBd" and resid 17  and name HG12  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 3222 weight  0.11000E+01 volume 16.89320 ppm1 1.133 ppm2 5.430
ASSI {  3232}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 3232 weight  0.11000E+01 volume 71.07450 ppm1 0.896 ppm2 5.430
ASSI {  3242}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 3242 weight  0.11000E+01 volume 42.58170 ppm1 0.617 ppm2 5.291
ASSI {  3252}
  (( segid "PTBd" and resid 69  and name HB2  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 3252 weight  0.11000E+01 volume 90.67790 ppm1 4.013 ppm2 5.291
ASSI {  3262}
  (( segid "PTBd" and resid 69  and name HB1  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 3262 weight  0.11000E+01 volume 51.39050 ppm1 4.916 ppm2 5.291
ASSI {  3272}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 69  and name HB1  ))
     6 6 0 peak 3272 weight  0.11000E+01 volume 19.22450 ppm1 5.287 ppm2 4.910
ASSI {  3282}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 69  and name HB2  ))
     6 6 0 peak 3282 weight  0.11000E+01 volume 20.17960 ppm1 5.287 ppm2 4.024
ASSI {  3292}
  (( segid "PTBd" and resid 62  and name HA  ))
  (( segid "PTBd" and resid 62  and name HB2  ))
     6 6 0 peak 3292 weight  0.11000E+01 volume 502.97751 ppm1 4.240 ppm2 3.867
ASSI {  3302}
  (( segid "PTBd" and resid 62  and name HA  ))
  (( segid "PTBd" and resid 62  and name HB1  ))
     6 6 0 peak 3302 weight  0.11000E+01 volume 116.17180 ppm1 4.240 ppm2 3.984
ASSI {  3312}
  (( segid "PTBd" and resid 62  and name HB2  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 3312 weight  0.11000E+01 volume 214.39830 ppm1 3.868 ppm2 4.251
ASSI {  3322}
  (( segid "PTBd" and resid 62  and name HB1  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 3322 weight  0.11000E+01 volume 274.44519 ppm1 3.969 ppm2 4.251
ASSI {  3332}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 13  and name HB1  ))
     6 6 0 peak 3332 weight  0.11000E+01 volume 30.28330 ppm1 5.158 ppm2 1.381
ASSI {  3342}
  (( segid "PTBd" and resid 13  and name HB1  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3342 weight  0.11000E+01 volume 17.83000 ppm1 1.381 ppm2 5.158
ASSI {  3352}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HB1  ))
     6 6 0 peak 3352 weight  0.11000E+01 volume 72.76280 ppm1 0.776 ppm2 1.381
ASSI {  3362}
  (( segid "PTBd" and resid 13  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3362 weight  0.11000E+01 volume 25.88170 ppm1 1.005 ppm2 5.158
ASSI {  3372}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3372 weight  0.11000E+01 volume 61.46710 ppm1 0.777 ppm2 5.158
ASSI {  3382}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3382 weight  0.11000E+01 volume 148.00410 ppm1 5.434 ppm2 5.157
ASSI {  3392}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 13  and name HG2  ))
     6 6 0 peak 3392 weight  0.11000E+01 volume 65.15970 ppm1 2.694 ppm2 0.999
ASSI {  3402}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 13  and name HG1  ))
     6 6 0 peak 3402 weight  0.11000E+01 volume 75.23460 ppm1 2.694 ppm2 1.287
ASSI {  3412}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 13  and name HG1  ))
     6 6 0 peak 3412 weight  0.11000E+01 volume 16.73440 ppm1 5.157 ppm2 1.287
ASSI {  3422}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 13  and name HG2  ))
     6 6 0 peak 3422 weight  0.11000E+01 volume 26.11780 ppm1 5.157 ppm2 0.999
ASSI {  3432}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HG1  ))
     6 6 0 peak 3432 weight  0.11000E+01 volume 432.59329 ppm1 0.776 ppm2 1.288
ASSI {  3442}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HG2  ))
     6 6 0 peak 3442 weight  0.11000E+01 volume 182.04491 ppm1 0.776 ppm2 0.998
ASSI {  3452}
  (( segid "PTBd" and resid 13  and name HG1  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3452 weight  0.11000E+01 volume 131.27530 ppm1 1.303 ppm2 5.158
ASSI {  3462}
  (( segid "PTBd" and resid 13  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HD1  ))
     6 6 0 peak 3462 weight  0.11000E+01 volume 55.01140 ppm1 1.006 ppm2 1.451
ASSI {  3472}
  (( segid "PTBd" and resid 13  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HD2  ))
     6 6 0 peak 3472 weight  0.11000E+01 volume 104.51950 ppm1 1.006 ppm2 1.369
ASSI {  3482}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 13  and name HD1  ))
     6 6 0 peak 3482 weight  0.11000E+01 volume 116.73290 ppm1 2.699 ppm2 1.451
ASSI {  3492}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 13  and name HD2  ))
     6 6 0 peak 3492 weight  0.11000E+01 volume 488.86649 ppm1 2.699 ppm2 1.369
ASSI {  3502}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 13  and name HD1  ))
     6 6 0 peak 3502 weight  0.11000E+01 volume 15.50180 ppm1 5.168 ppm2 1.451
ASSI {  3512}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HD2  ))
     6 6 0 peak 3512 weight  0.11000E+01 volume 32.00350 ppm1 1.969 ppm2 1.368
ASSI {  3522}
  (( segid "PTBd" and resid 13  and name HD2  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3522 weight  0.11000E+01 volume 129.54460 ppm1 1.369 ppm2 5.158
ASSI {  3532}
  (( segid "PTBd" and resid 13  and name HD1  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3532 weight  0.11000E+01 volume 69.53470 ppm1 1.451 ppm2 5.158
ASSI {  3542}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3542 weight  0.11000E+01 volume 29.93260 ppm1 5.157 ppm2 2.695
ASSI {  3552}
  (( segid "PTBd" and resid 13  and name HB1  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3552 weight  0.11000E+01 volume 451.93781 ppm1 1.381 ppm2 2.694
ASSI {  3562}
  (( segid "PTBd" and resid 13  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3562 weight  0.11000E+01 volume 171.47189 ppm1 1.005 ppm2 2.695
ASSI {  3572}
  (( segid "PTBd" and resid 13  and name HG1  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3572 weight  0.11000E+01 volume 107.03090 ppm1 1.303 ppm2 2.694
ASSI {  3582}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3582 weight  0.11000E+01 volume 17.82220 ppm1 0.224 ppm2 5.280
ASSI {  3592}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3592 weight  0.11000E+01 volume 12.07860 ppm1 0.567 ppm2 5.280
ASSI {  3602}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3602 weight  0.11000E+01 volume 12.67380 ppm1 0.748 ppm2 5.280
ASSI {  3612}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3612 weight  0.11000E+01 volume 100.08120 ppm1 1.070 ppm2 5.280
ASSI {  3622}
  (( segid "PTBd" and resid 49  and name HD2  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3622 weight  0.11000E+01 volume 150.78590 ppm1 1.382 ppm2 5.280
ASSI {  3632}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 3632 weight  0.11000E+01 volume 38.47230 ppm1 0.224 ppm2 1.404
ASSI {  3642}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 3642 weight  0.11000E+01 volume 40.94040 ppm1 0.748 ppm2 1.404
ASSI {  3652}
  (( segid "PTBd" and resid 49  and name HE1  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 3652 weight  0.11000E+01 volume 54.67230 ppm1 2.700 ppm2 1.405
ASSI {  3662}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 3662 weight  0.11000E+01 volume 99.88050 ppm1 5.282 ppm2 1.405
ASSI {  3672}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3672 weight  0.11000E+01 volume 77.79850 ppm1 5.281 ppm2 1.067
ASSI {  3682}
  (( segid "PTBd" and resid 49  and name HE1  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3682 weight  0.11000E+01 volume 124.03660 ppm1 2.700 ppm2 1.067
ASSI {  3692}
  (( segid "PTBd" and resid 49  and name HD2  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3692 weight  0.11000E+01 volume 403.74399 ppm1 1.382 ppm2 1.067
ASSI {  3702}
  (( segid "PTBd" and resid 49  and name HD1  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3702 weight  0.11000E+01 volume 171.26570 ppm1 1.464 ppm2 1.067
ASSI {  3712}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3712 weight  0.11000E+01 volume 83.85260 ppm1 0.566 ppm2 1.067
ASSI {  3722}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3722 weight  0.11000E+01 volume 44.07850 ppm1 0.224 ppm2 1.067
ASSI {  3732}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3732 weight  0.11000E+01 volume 114.72540 ppm1 0.748 ppm2 1.067
ASSI {  3742}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 49  and name HD1  ))
     6 6 0 peak 3742 weight  0.11000E+01 volume 55.81460 ppm1 1.069 ppm2 1.471
ASSI {  3752}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 49  and name HD2  ))
     6 6 0 peak 3752 weight  0.11000E+01 volume 194.31520 ppm1 1.069 ppm2 1.361
ASSI {  3762}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HD2  ))
     6 6 0 peak 3762 weight  0.11000E+01 volume 7.97260 ppm1 0.224 ppm2 1.361
ASSI {  3772}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HD1  ))
     6 6 0 peak 3772 weight  0.11000E+01 volume 9.66800 ppm1 0.224 ppm2 1.470
ASSI {  3782}
  (( segid "PTBd" and resid 49  and name HD1  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 3782 weight  0.11000E+01 volume 55.92490 ppm1 1.464 ppm2 5.280
ASSI {  3792}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3792 weight  0.11000E+01 volume 71.12640 ppm1 6.798 ppm2 2.695
ASSI {  3802}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3802 weight  0.11000E+01 volume 30.27230 ppm1 7.029 ppm2 2.694
ASSI {  3812}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3812 weight  0.11000E+01 volume 20.98070 ppm1 5.430 ppm2 2.694
ASSI {  3822}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3822 weight  0.11000E+01 volume 19.54370 ppm1 5.280 ppm2 2.694
ASSI {  3832}
  (( segid "PTBd" and resid 47  and name HB1  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3832 weight  0.11000E+01 volume 17.85290 ppm1 3.611 ppm2 2.695
ASSI {  3842}
  (( segid "PTBd" and resid 47  and name HB2  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3842 weight  0.11000E+01 volume 19.31880 ppm1 3.353 ppm2 2.695
ASSI {  3852}
  (( segid "PTBd" and resid 32  and name HG1  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3852 weight  0.11000E+01 volume 52.67240 ppm1 2.095 ppm2 2.695
ASSI {  3862}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HE1  ))
     6 6 0 peak 3862 weight  0.11000E+01 volume 75.58120 ppm1 1.963 ppm2 2.695
ASSI {  3892}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3892 weight  0.11000E+01 volume 50.18060 ppm1 0.224 ppm2 2.695
ASSI {  3902}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3902 weight  0.11000E+01 volume 90.71840 ppm1 0.562 ppm2 2.695
ASSI {  3912}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3912 weight  0.11000E+01 volume 297.75021 ppm1 0.755 ppm2 2.695
ASSI {  3932}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 49  and name HE1  ))
     6 6 0 peak 3932 weight  0.11000E+01 volume 316.03769 ppm1 1.067 ppm2 2.695
ASSI {  3942}
  (( segid "PTBd" and resid 49  and name HD2  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3942 weight  0.11000E+01 volume 466.65680 ppm1 1.382 ppm2 1.068
ASSI {  3952}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HD1  ))
     6 6 0 peak 3952 weight  0.11000E+01 volume 23.72520 ppm1 0.749 ppm2 1.470
ASSI {  3962}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 49  and name HD2  ))
     6 6 0 peak 3962 weight  0.11000E+01 volume 84.35570 ppm1 0.749 ppm2 1.361
ASSI {  3972}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 3972 weight  0.11000E+01 volume 71.29070 ppm1 1.942 ppm2 5.203
ASSI {  3982}
  (( segid "PTBd" and resid 83  and name HB2  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 3982 weight  0.11000E+01 volume 70.65590 ppm1 1.774 ppm2 5.203
ASSI {  3992}
  (( segid "PTBd" and resid 83  and name HD1  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 3992 weight  0.11000E+01 volume 37.99020 ppm1 1.707 ppm2 5.203
ASSI {  4002}
  (( segid "PTBd" and resid 83  and name HG1  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 4002 weight  0.11000E+01 volume 45.33100 ppm1 1.634 ppm2 5.203
ASSI {  4012}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 4012 weight  0.11000E+01 volume 97.94120 ppm1 1.505 ppm2 5.203
ASSI {  4022}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 4022 weight  0.11000E+01 volume 168.95850 ppm1 5.396 ppm2 5.203
ASSI {  4032}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 4032 weight  0.11000E+01 volume 90.98630 ppm1 5.189 ppm2 1.769
ASSI {  4042}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 4042 weight  0.11000E+01 volume 190.95329 ppm1 5.189 ppm2 1.949
ASSI {  4052}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4052 weight  0.11000E+01 volume 43.12680 ppm1 5.190 ppm2 1.632
ASSI {  4062}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 4062 weight  0.11000E+01 volume 94.88300 ppm1 5.190 ppm2 1.495
ASSI {  4072}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 4072 weight  0.11000E+01 volume 223.11990 ppm1 1.505 ppm2 1.769
ASSI {  4082}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 4082 weight  0.11000E+01 volume 459.67249 ppm1 1.505 ppm2 1.949
ASSI {  4092}
  (( segid "PTBd" and resid 83  and name HG1  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 4092 weight  0.11000E+01 volume 289.60620 ppm1 1.634 ppm2 1.769
ASSI {  4102}
  (( segid "PTBd" and resid 83  and name HG1  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 4102 weight  0.11000E+01 volume 352.33221 ppm1 1.633 ppm2 1.949
ASSI {  4112}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4112 weight  0.11000E+01 volume 32.50720 ppm1 2.867 ppm2 1.632
ASSI {  4122}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 4122 weight  0.11000E+01 volume 64.38700 ppm1 2.867 ppm2 1.494
ASSI {  4132}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4132 weight  0.11000E+01 volume 9.76940 ppm1 0.637 ppm2 1.632
ASSI {  4142}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 4142 weight  0.11000E+01 volume 10.14300 ppm1 0.636 ppm2 1.495
ASSI {  4152}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 4152 weight  0.11000E+01 volume 215.66060 ppm1 0.814 ppm2 1.495
ASSI {  4162}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4162 weight  0.11000E+01 volume 157.18190 ppm1 0.814 ppm2 1.632
ASSI {  4172}
  (( segid "PTBd" and resid 64  and name HD1#  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 4172 weight  0.11000E+01 volume 32.92250 ppm1 0.823 ppm2 5.203
ASSI {  4182}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HD1  ))
     6 6 0 peak 4182 weight  0.11000E+01 volume 76.28580 ppm1 5.188 ppm2 1.699
ASSI {  4192}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 83  and name HD1  ))
     6 6 0 peak 4192 weight  0.11000E+01 volume 215.43030 ppm1 2.867 ppm2 1.699
ASSI {  4202}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HD1  ))
     6 6 0 peak 4202 weight  0.11000E+01 volume 190.41830 ppm1 0.814 ppm2 1.699
ASSI {  4212}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 83  and name HD1  ))
     6 6 0 peak 4212 weight  0.11000E+01 volume 260.73010 ppm1 0.892 ppm2 1.699
ASSI {  4222}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4222 weight  0.11000E+01 volume 61.92290 ppm1 0.895 ppm2 1.494
ASSI {  4232}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4232 weight  0.11000E+01 volume 21.83930 ppm1 0.892 ppm2 1.631
ASSI {  4242}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 4242 weight  0.11000E+01 volume 51.73430 ppm1 0.814 ppm2 1.769
ASSI {  4252}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 4252 weight  0.11000E+01 volume 83.84960 ppm1 0.814 ppm2 1.948
ASSI {  4262}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 4262 weight  0.11000E+01 volume 95.15210 ppm1 0.895 ppm2 1.770
ASSI {  4272}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 4272 weight  0.11000E+01 volume 316.77890 ppm1 0.892 ppm2 1.948
ASSI {  4282}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 4282 weight  0.11000E+01 volume 104.45800 ppm1 0.630 ppm2 2.847
ASSI {  4292}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HE1  ))
     6 6 0 peak 4292 weight  0.11000E+01 volume 21.49970 ppm1 0.637 ppm2 2.966
ASSI {  4302}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 83  and name HE1  ))
     6 6 0 peak 4302 weight  0.11000E+01 volume 40.16090 ppm1 0.895 ppm2 2.966
ASSI {  4312}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4312 weight  0.11000E+01 volume 22.38820 ppm1 0.892 ppm2 2.876
ASSI {  4322}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HE1  ))
     6 6 0 peak 4322 weight  0.11000E+01 volume 143.48779 ppm1 0.814 ppm2 2.967
ASSI {  4332}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4332 weight  0.11000E+01 volume 63.94790 ppm1 0.814 ppm2 2.876
ASSI {  4342}
  (( segid "PTBd" and resid 83  and name HB2  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4342 weight  0.11000E+01 volume 8.43330 ppm1 1.774 ppm2 2.876
ASSI {  4352}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4352 weight  0.11000E+01 volume 265.91391 ppm1 1.942 ppm2 2.876
ASSI {  4362}
  (( segid "PTBd" and resid 83  and name HD1  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4362 weight  0.11000E+01 volume 151.61470 ppm1 1.707 ppm2 2.876
ASSI {  4372}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4372 weight  0.11000E+01 volume 68.14970 ppm1 1.504 ppm2 2.876
ASSI {  4382}
  (( segid "PTBd" and resid 83  and name HG1  ))
  (( segid "PTBd" and resid 83  and name HE2  ))
     6 6 0 peak 4382 weight  0.11000E+01 volume 113.32330 ppm1 1.635 ppm2 2.876
ASSI {  4392}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 83  and name HE1  ))
     6 6 0 peak 4392 weight  0.11000E+01 volume 20.95800 ppm1 5.187 ppm2 2.966
ASSI {  4402}
  (( segid "PTBd" and resid 83  and name HE1  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 4402 weight  0.11000E+01 volume 118.54460 ppm1 2.966 ppm2 1.495
ASSI {  4412}
  (( segid "PTBd" and resid 83  and name HE1  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 4412 weight  0.11000E+01 volume 26.64260 ppm1 2.966 ppm2 1.631
ASSI {  4422}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4422 weight  0.11000E+01 volume 47.45100 ppm1 4.992 ppm2 4.705
ASSI {  4432}
  (( segid "PTBd" and resid 15  and name HB1  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4432 weight  0.11000E+01 volume 70.05420 ppm1 1.990 ppm2 4.705
ASSI {  4442}
  (( segid "PTBd" and resid 15  and name HB2  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4442 weight  0.11000E+01 volume 75.57380 ppm1 1.850 ppm2 4.705
ASSI {  4452}
  (( segid "PTBd" and resid 15  and name HD1  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4452 weight  0.11000E+01 volume 19.49950 ppm1 1.761 ppm2 4.705
ASSI {  4462}
  (( segid "PTBd" and resid 15  and name HG1  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4462 weight  0.11000E+01 volume 18.05600 ppm1 1.585 ppm2 4.705
ASSI {  4472}
  (( segid "PTBd" and resid 15  and name HG2  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4472 weight  0.11000E+01 volume 27.71580 ppm1 1.424 ppm2 4.705
ASSI {  4482}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 4482 weight  0.11000E+01 volume 98.05170 ppm1 0.773 ppm2 4.705
ASSI {  4492}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HB1  ))
     6 6 0 peak 4492 weight  0.11000E+01 volume 63.42550 ppm1 0.773 ppm2 1.990
ASSI {  4502}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HB2  ))
     6 6 0 peak 4502 weight  0.11000E+01 volume 34.71090 ppm1 0.773 ppm2 1.850
ASSI {  4512}
  (( segid "PTBd" and resid 15  and name HG1  ))
  (( segid "PTBd" and resid 15  and name HB1  ))
     6 6 0 peak 4512 weight  0.11000E+01 volume 56.47230 ppm1 1.585 ppm2 1.990
ASSI {  4522}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 15  and name HB1  ))
     6 6 0 peak 4522 weight  0.11000E+01 volume 73.85920 ppm1 2.970 ppm2 1.990
ASSI {  4532}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 15  and name HB2  ))
     6 6 0 peak 4532 weight  0.11000E+01 volume 191.20180 ppm1 2.970 ppm2 1.850
ASSI {  4542}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HG2  ))
     6 6 0 peak 4542 weight  0.11000E+01 volume 90.82860 ppm1 0.772 ppm2 1.428
ASSI {  4552}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HG1  ))
     6 6 0 peak 4552 weight  0.11000E+01 volume 65.18210 ppm1 0.772 ppm2 1.589
ASSI {  4562}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 15  and name HG2  ))
     6 6 0 peak 4562 weight  0.11000E+01 volume 105.41760 ppm1 2.969 ppm2 1.428
ASSI {  4572}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 15  and name HG1  ))
     6 6 0 peak 4572 weight  0.11000E+01 volume 66.72670 ppm1 2.970 ppm2 1.590
ASSI {  4582}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HD1  ))
     6 6 0 peak 4582 weight  0.11000E+01 volume 47.60980 ppm1 0.773 ppm2 1.744
ASSI {  4592}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 15  and name HD1  ))
     6 6 0 peak 4592 weight  0.11000E+01 volume 902.51422 ppm1 2.969 ppm2 1.743
ASSI {  4602}
  (( segid "PTBd" and resid 30  and name HD1#  ))
  (( segid "PTBd" and resid 15  and name HE1  ))
     6 6 0 peak 4602 weight  0.11000E+01 volume 124.91210 ppm1 0.773 ppm2 2.966
ASSI {  4612}
  (( segid "PTBd" and resid 15  and name HG2  ))
  (( segid "PTBd" and resid 15  and name HE1  ))
     6 6 0 peak 4612 weight  0.11000E+01 volume 164.45129 ppm1 1.424 ppm2 2.966
ASSI {  4622}
  (( segid "PTBd" and resid 15  and name HG1  ))
  (( segid "PTBd" and resid 15  and name HE1  ))
     6 6 0 peak 4622 weight  0.11000E+01 volume 57.17840 ppm1 1.585 ppm2 2.966
ASSI {  4632}
  (( segid "PTBd" and resid 15  and name HB2  ))
  (( segid "PTBd" and resid 15  and name HE1  ))
     6 6 0 peak 4632 weight  0.11000E+01 volume 161.71220 ppm1 1.850 ppm2 2.966
ASSI {  4642}
  (( segid "PTBd" and resid 15  and name HB1  ))
  (( segid "PTBd" and resid 15  and name HE1  ))
     6 6 0 peak 4642 weight  0.11000E+01 volume 141.07561 ppm1 1.990 ppm2 2.966
ASSI {  4662}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4662 weight  0.11000E+01 volume 49.61170 ppm1 6.640 ppm2 4.445
ASSI {  4672}
  (( segid "PTBd" and resid 20  and name HB1  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4672 weight  0.11000E+01 volume 100.72500 ppm1 2.840 ppm2 4.446
ASSI {  4682}
  (( segid "PTBd" and resid 20  and name HB2  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4682 weight  0.11000E+01 volume 97.85180 ppm1 2.155 ppm2 4.445
ASSI {  4692}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4692 weight  0.11000E+01 volume 38.75380 ppm1 0.556 ppm2 4.446
ASSI {  4702}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4702 weight  0.11000E+01 volume 23.90620 ppm1 0.629 ppm2 4.446
ASSI {  4712}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 4712 weight  0.11000E+01 volume 76.26810 ppm1 0.689 ppm2 4.446
ASSI {  4722}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 4722 weight  0.11000E+01 volume 46.69560 ppm1 0.556 ppm2 2.153
ASSI {  4732}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 4732 weight  0.11000E+01 volume 43.52460 ppm1 0.556 ppm2 2.847
ASSI {  4742}
  (( segid "PTBd" and resid 20  and name HA  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 4742 weight  0.11000E+01 volume 30.32030 ppm1 4.446 ppm2 2.153
ASSI {  4752}
  (( segid "PTBd" and resid 20  and name HA  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 4752 weight  0.11000E+01 volume 94.48390 ppm1 4.446 ppm2 2.847
ASSI {  4762}
  (( segid "PTBd" and resid 21  and name HA  ))
  (( segid "PTBd" and resid 21  and name HB1  ))
     6 6 0 peak 4762 weight  0.11000E+01 volume 104.44580 ppm1 4.127 ppm2 2.615
ASSI {  4772}
  (( segid "PTBd" and resid 21  and name HA  ))
  (( segid "PTBd" and resid 21  and name HB2  ))
     6 6 0 peak 4772 weight  0.11000E+01 volume 109.30090 ppm1 4.127 ppm2 2.449
ASSI {  4782}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "PTBd" and resid 21  and name HA  ))
     6 6 0 peak 4782 weight  0.11000E+01 volume 179.30960 ppm1 0.689 ppm2 4.117
ASSI {  4792}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "PTBd" and resid 21  and name HB2  ))
     6 6 0 peak 4792 weight  0.11000E+01 volume 8.28330 ppm1 0.689 ppm2 2.448
ASSI {  4802}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "PTBd" and resid 21  and name HB1  ))
     6 6 0 peak 4802 weight  0.11000E+01 volume 17.93370 ppm1 0.689 ppm2 2.614
ASSI {  4812}
  (( segid "PTBd" and resid 21  and name HB1  ))
  (( segid "PTBd" and resid 21  and name HA  ))
     6 6 0 peak 4812 weight  0.11000E+01 volume 63.17340 ppm1 2.605 ppm2 4.117
ASSI {  4822}
  (( segid "PTBd" and resid 21  and name HB2  ))
  (( segid "PTBd" and resid 21  and name HA  ))
     6 6 0 peak 4822 weight  0.11000E+01 volume 122.38030 ppm1 2.452 ppm2 4.117
ASSI {  4832}
  (( segid "PTBd" and resid 22  and name HB1  ))
  (( segid "PTBd" and resid 22  and name HA  ))
     6 6 0 peak 4832 weight  0.11000E+01 volume 98.86500 ppm1 2.821 ppm2 4.747
ASSI {  4842}
  (( segid "PTBd" and resid 22  and name HB2  ))
  (( segid "PTBd" and resid 22  and name HA  ))
     6 6 0 peak 4842 weight  0.11000E+01 volume 88.80770 ppm1 2.402 ppm2 4.747
ASSI {  4852}
  (( segid "PTBd" and resid 22  and name HA  ))
  (( segid "PTBd" and resid 22  and name HB1  ))
     6 6 0 peak 4852 weight  0.11000E+01 volume 35.22950 ppm1 4.761 ppm2 2.835
ASSI {  4862}
  (( segid "PTBd" and resid 22  and name HA  ))
  (( segid "PTBd" and resid 22  and name HB2  ))
     6 6 0 peak 4862 weight  0.11000E+01 volume 29.78960 ppm1 4.761 ppm2 2.420
ASSI {  4872}
  (( segid "PTBd" and resid 46  and name HB1  ))
  (( segid "PTBd" and resid 46  and name HA  ))
     6 6 0 peak 4872 weight  0.11000E+01 volume 115.46360 ppm1 2.668 ppm2 4.772
ASSI {  4882}
  (( segid "PTBd" and resid 46  and name HB2  ))
  (( segid "PTBd" and resid 46  and name HA  ))
     6 6 0 peak 4882 weight  0.11000E+01 volume 84.35070 ppm1 2.563 ppm2 4.772
ASSI {  4892}
  (( segid "PTBd" and resid 46  and name HA  ))
  (( segid "PTBd" and resid 46  and name HB1  ))
     6 6 0 peak 4892 weight  0.11000E+01 volume 146.65790 ppm1 4.772 ppm2 2.671
ASSI {  4902}
  (( segid "PTBd" and resid 46  and name HA  ))
  (( segid "PTBd" and resid 46  and name HB2  ))
     6 6 0 peak 4902 weight  0.11000E+01 volume 14.22550 ppm1 4.772 ppm2 2.556
ASSI {  4912}
  (( segid "FGFR" and resid 216  and name HB1  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4912 weight  0.11000E+01 volume 95.58780 ppm1 1.720 ppm2 4.300
ASSI {  4922}
  (( segid "FGFR" and resid 216  and name HG2  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4922 weight  0.11000E+01 volume 133.92799 ppm1 1.420 ppm2 4.300
ASSI {  4932}
  (( segid "FGFR" and resid 216  and name HG1  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4932 weight  0.11000E+01 volume 40.67730 ppm1 1.508 ppm2 4.300
ASSI {  4942}
  (( segid "PTBd" and resid 61  and name HB2  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4942 weight  0.11000E+01 volume 118.38870 ppm1 2.553 ppm2 4.300
ASSI {  4952}
  (( segid "PTBd" and resid 61  and name HB1  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4952 weight  0.11000E+01 volume 95.85140 ppm1 2.801 ppm2 4.300
ASSI {  4962}
  (( segid "FGFR" and resid 216  and name HA  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4962 weight  0.11000E+01 volume 14.25490 ppm1 4.012 ppm2 4.300
ASSI {  4972}
  (( segid "PTBd" and resid 61  and name HA  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 4972 weight  0.11000E+01 volume 37.90510 ppm1 4.283 ppm2 2.807
ASSI {  4982}
  (( segid "PTBd" and resid 61  and name HA  ))
  (( segid "PTBd" and resid 61  and name HB2  ))
     6 6 0 peak 4982 weight  0.11000E+01 volume 28.46600 ppm1 4.283 ppm2 2.538
ASSI {  4992}
  (( segid "FGFR" and resid 215  and name HA  ))
  (( segid "PTBd" and resid 61  and name HB2  ))
     6 6 0 peak 4992 weight  0.11000E+01 volume 56.92460 ppm1 4.358 ppm2 2.538
ASSI {  5002}
  (( segid "FGFR" and resid 215  and name HA  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 5002 weight  0.11000E+01 volume 60.52330 ppm1 4.358 ppm2 2.807
ASSI {  5012}
  (( segid "PTBd" and resid 100  and name HA  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 5012 weight  0.11000E+01 volume 79.36190 ppm1 4.520 ppm2 2.829
ASSI {  5022}
  (( segid "PTBd" and resid 100  and name HA  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 5022 weight  0.11000E+01 volume 70.78190 ppm1 4.520 ppm2 2.963
ASSI {  5032}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 5032 weight  0.11000E+01 volume 139.69130 ppm1 3.571 ppm2 2.829
ASSI {  5042}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 5042 weight  0.11000E+01 volume 28.71910 ppm1 3.571 ppm2 2.963
ASSI {  5052}
  (( segid "PTBd" and resid 100  and name HB2  ))
  (( segid "PTBd" and resid 100  and name HA  ))
     6 6 0 peak 5052 weight  0.11000E+01 volume 134.71890 ppm1 2.840 ppm2 4.521
ASSI {  5062}
  (( segid "PTBd" and resid 100  and name HB1  ))
  (( segid "PTBd" and resid 100  and name HA  ))
     6 6 0 peak 5062 weight  0.11000E+01 volume 104.85720 ppm1 2.955 ppm2 4.521
ASSI {  5072}
  (( segid "PTBd" and resid 101  and name HA  ))
  (( segid "PTBd" and resid 101  and name HB1  ))
     6 6 0 peak 5072 weight  0.11000E+01 volume 16.16040 ppm1 4.786 ppm2 2.992
ASSI {  5082}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 101  and name HB2  ))
     6 6 0 peak 5082 weight  0.11000E+01 volume 12.71970 ppm1 0.880 ppm2 2.642
ASSI {  5092}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 101  and name HB1  ))
     6 6 0 peak 5092 weight  0.11000E+01 volume 17.05500 ppm1 0.880 ppm2 2.992
ASSI {  5102}
  (( segid "PTBd" and resid 101  and name HB1  ))
  (( segid "PTBd" and resid 101  and name HA  ))
     6 6 0 peak 5102 weight  0.11000E+01 volume 25.21300 ppm1 2.976 ppm2 4.766
ASSI {  5112}
  (( segid "PTBd" and resid 101  and name HB2  ))
  (( segid "PTBd" and resid 101  and name HA  ))
     6 6 0 peak 5112 weight  0.11000E+01 volume 14.32700 ppm1 2.643 ppm2 4.767
ASSI {  5122}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 5122 weight  0.11000E+01 volume 22.90360 ppm1 7.371 ppm2 4.207
ASSI {  5132}
  (( segid "PTBd" and resid 92  and name HB1  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 5132 weight  0.11000E+01 volume 70.45160 ppm1 2.838 ppm2 4.207
ASSI {  5142}
  (( segid "PTBd" and resid 92  and name HB2  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 5142 weight  0.11000E+01 volume 85.27650 ppm1 2.744 ppm2 4.207
ASSI {  5152}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 5152 weight  0.11000E+01 volume 154.10320 ppm1 4.203 ppm2 2.758
ASSI {  5162}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 5162 weight  0.11000E+01 volume 283.42770 ppm1 3.965 ppm2 2.758
ASSI {  5172}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 5172 weight  0.11000E+01 volume 26.20070 ppm1 3.964 ppm2 2.843
ASSI {  5182}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 5182 weight  0.11000E+01 volume 37.86370 ppm1 4.203 ppm2 2.842
ASSI {  5192}
  (( segid "PTBd" and resid 24  and name HA  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 5192 weight  0.11000E+01 volume 93.97100 ppm1 4.457 ppm2 2.468
ASSI {  5202}
  (( segid "PTBd" and resid 24  and name HA  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 5202 weight  0.11000E+01 volume 204.85410 ppm1 4.457 ppm2 2.763
ASSI {  5212}
  (( segid "PTBd" and resid 24  and name HB1  ))
  (( segid "PTBd" and resid 24  and name HA  ))
     6 6 0 peak 5212 weight  0.11000E+01 volume 158.83380 ppm1 2.753 ppm2 4.456
ASSI {  5222}
  (( segid "PTBd" and resid 24  and name HB2  ))
  (( segid "PTBd" and resid 24  and name HA  ))
     6 6 0 peak 5222 weight  0.11000E+01 volume 98.18740 ppm1 2.472 ppm2 4.456
ASSI {  5232}
  (( segid "PTBd" and resid 106  and name HG2#  ))
  (( segid "PTBd" and resid 104  and name HA  ))
     6 6 0 peak 5232 weight  0.11000E+01 volume 11.67480 ppm1 0.852 ppm2 4.637
ASSI {  5242}
  (( segid "PTBd" and resid 106  and name HG2#  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 5242 weight  0.11000E+01 volume 62.60080 ppm1 0.852 ppm2 2.742
ASSI {  5252}
  (( segid "PTBd" and resid 104  and name HB2  ))
  (( segid "PTBd" and resid 104  and name HA  ))
     6 6 0 peak 5252 weight  0.11000E+01 volume 193.03059 ppm1 2.695 ppm2 4.637
ASSI {  5262}
  (( segid "PTBd" and resid 104  and name HB1  ))
  (( segid "PTBd" and resid 104  and name HA  ))
     6 6 0 peak 5262 weight  0.11000E+01 volume 96.25290 ppm1 2.742 ppm2 4.637
ASSI {  5272}
  (( segid "FGFR" and resid 222  and name HB1  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 5272 weight  0.11000E+01 volume 50.55510 ppm1 3.769 ppm2 2.742
ASSI {  5282}
  (( segid "FGFR" and resid 222  and name HB1  ))
  (( segid "PTBd" and resid 104  and name HB2  ))
     6 6 0 peak 5282 weight  0.11000E+01 volume 47.51190 ppm1 3.769 ppm2 2.695
ASSI {  5292}
  (( segid "PTBd" and resid 104  and name HA  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 5292 weight  0.11000E+01 volume 392.35071 ppm1 4.636 ppm2 2.742
ASSI {  5302}
  (( segid "PTBd" and resid 104  and name HA  ))
  (( segid "PTBd" and resid 104  and name HB2  ))
     6 6 0 peak 5302 weight  0.11000E+01 volume 189.76640 ppm1 4.636 ppm2 2.695
ASSI {  5312}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 23  and name HA2  ))
     6 6 0 peak 5312 weight  0.11000E+01 volume 4.37180 ppm1 1.886 ppm2 3.371
ASSI {  5322}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 23  and name HA1  ))
     6 6 0 peak 5322 weight  0.11000E+01 volume 22.07210 ppm1 0.637 ppm2 4.135
ASSI {  5332}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 23  and name HA2  ))
     6 6 0 peak 5332 weight  0.11000E+01 volume 14.68390 ppm1 0.637 ppm2 3.372
ASSI {  5342}
  (( segid "PTBd" and resid 76  and name HA2  ))
  (( segid "PTBd" and resid 76  and name HA1  ))
     6 6 0 peak 5342 weight  0.11000E+01 volume 27.37140 ppm1 4.013 ppm2 4.364
ASSI {  5352}
  (( segid "PTBd" and resid 78  and name HA2  ))
  (( segid "PTBd" and resid 78  and name HA1  ))
     6 6 0 peak 5352 weight  0.11000E+01 volume 14.83020 ppm1 3.368 ppm2 3.869
ASSI {  5362}
  (( segid "PTBd" and resid 77  and name HA  ))
  (( segid "PTBd" and resid 77  and name HB1  ))
     6 6 0 peak 5362 weight  0.11000E+01 volume 585.86688 ppm1 4.191 ppm2 1.903
ASSI {  5372}
  (( segid "PTBd" and resid 77  and name HG1  ))
  (( segid "PTBd" and resid 77  and name HA  ))
     6 6 0 peak 5372 weight  0.11000E+01 volume 62.08840 ppm1 2.480 ppm2 4.186
ASSI {  5382}
  (( segid "PTBd" and resid 77  and name HB1  ))
  (( segid "PTBd" and resid 77  and name HA  ))
     6 6 0 peak 5382 weight  0.11000E+01 volume 414.57910 ppm1 1.904 ppm2 4.186
ASSI {  5392}
  (( segid "PTBd" and resid 77  and name HA  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 5392 weight  0.11000E+01 volume 100.90070 ppm1 4.191 ppm2 2.488
ASSI {  5402}
  (( segid "PTBd" and resid 77  and name HB1  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 5402 weight  0.11000E+01 volume 672.88373 ppm1 1.908 ppm2 2.489
ASSI {  5412}
  (( segid "PTBd" and resid 70  and name HA1  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 5412 weight  0.11000E+01 volume 113.96120 ppm1 4.425 ppm2 2.488
ASSI {  5422}
  (( segid "PTBd" and resid 71  and name HD1  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 5422 weight  0.11000E+01 volume 18.69910 ppm1 3.234 ppm2 2.488
ASSI {  5442}
  (( segid "PTBd" and resid 71  and name HG2  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 5442 weight  0.11000E+01 volume 74.63260 ppm1 1.722 ppm2 2.489
ASSI {  5452}
  (( segid "PTBd" and resid 95  and name HA  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 5452 weight  0.11000E+01 volume 37.98480 ppm1 3.905 ppm2 2.016
ASSI {  5462}
  (( segid "PTBd" and resid 95  and name HA  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 5462 weight  0.11000E+01 volume 40.03980 ppm1 3.905 ppm2 1.698
ASSI {  5472}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 5472 weight  0.11000E+01 volume 17.89350 ppm1 4.202 ppm2 1.698
ASSI {  5482}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 5482 weight  0.11000E+01 volume 53.32040 ppm1 4.202 ppm2 2.016
ASSI {  5492}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 5492 weight  0.11000E+01 volume 18.74800 ppm1 6.181 ppm2 1.698
ASSI {  5502}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 5502 weight  0.11000E+01 volume 13.73060 ppm1 6.181 ppm2 2.016
ASSI {  5512}
  (( segid "PTBd" and resid 95  and name HA  ))
  (( segid "PTBd" and resid 95  and name HB2  ))
     6 6 0 peak 5512 weight  0.11000E+01 volume 58.29470 ppm1 3.905 ppm2 1.763
ASSI {  5522}
  (( segid "PTBd" and resid 95  and name HA  ))
  (( segid "PTBd" and resid 95  and name HB1  ))
     6 6 0 peak 5522 weight  0.11000E+01 volume 220.27431 ppm1 3.905 ppm2 2.067
ASSI {  5532}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 95  and name HB2  ))
     6 6 0 peak 5532 weight  0.11000E+01 volume 43.49730 ppm1 4.211 ppm2 1.763
ASSI {  5542}
  (( segid "PTBd" and resid 92  and name HA  ))
  (( segid "PTBd" and resid 95  and name HB1  ))
     6 6 0 peak 5542 weight  0.11000E+01 volume 68.11710 ppm1 4.211 ppm2 2.067
ASSI {  5552}
  (( segid "PTBd" and resid 95  and name HB2  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 5552 weight  0.11000E+01 volume 59.76070 ppm1 1.763 ppm2 3.913
ASSI {  5562}
  (( segid "PTBd" and resid 95  and name HB1  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 5562 weight  0.11000E+01 volume 232.77820 ppm1 2.067 ppm2 3.913
ASSI {  5572}
  (( segid "PTBd" and resid 95  and name HG2  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 5572 weight  0.11000E+01 volume 101.47100 ppm1 1.698 ppm2 3.913
ASSI {  5582}
  (( segid "PTBd" and resid 95  and name HG1  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 5582 weight  0.11000E+01 volume 64.87430 ppm1 2.016 ppm2 3.913
ASSI {  5592}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 5592 weight  0.11000E+01 volume 19.43970 ppm1 0.853 ppm2 2.490
ASSI {  5602}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 5602 weight  0.11000E+01 volume 18.91770 ppm1 0.853 ppm2 2.400
ASSI {  5612}
  (( segid "PTBd" and resid 99  and name HA  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 5612 weight  0.11000E+01 volume 344.66699 ppm1 4.133 ppm2 2.400
ASSI {  5622}
  (( segid "PTBd" and resid 99  and name HA  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 5622 weight  0.11000E+01 volume 29.31890 ppm1 4.133 ppm2 2.490
ASSI {  5632}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 5632 weight  0.11000E+01 volume 51.29590 ppm1 3.916 ppm2 2.490
ASSI {  5642}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 5642 weight  0.11000E+01 volume 198.26370 ppm1 3.916 ppm2 2.400
ASSI {  5652}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 99  and name HB1  ))
     6 6 0 peak 5652 weight  0.11000E+01 volume 26.87240 ppm1 3.916 ppm2 2.163
ASSI {  5662}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 99  and name HB2  ))
     6 6 0 peak 5662 weight  0.11000E+01 volume 73.13420 ppm1 3.916 ppm2 2.123
ASSI {  5672}
  (( segid "PTBd" and resid 99  and name HA  ))
  (( segid "PTBd" and resid 99  and name HB1  ))
     6 6 0 peak 5672 weight  0.11000E+01 volume 115.23990 ppm1 4.133 ppm2 2.163
ASSI {  5682}
  (( segid "PTBd" and resid 99  and name HA  ))
  (( segid "PTBd" and resid 99  and name HB2  ))
     6 6 0 peak 5682 weight  0.11000E+01 volume 338.07501 ppm1 4.133 ppm2 2.123
ASSI {  5702}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 5702 weight  0.11000E+01 volume 9.13920 ppm1 0.658 ppm2 4.118
ASSI {  5712}
  (( segid "PTBd" and resid 99  and name HG2  ))
  (( segid "PTBd" and resid 99  and name HA  ))
     6 6 0 peak 5712 weight  0.11000E+01 volume 50.25640 ppm1 2.399 ppm2 4.118
ASSI {  5722}
  (( segid "PTBd" and resid 99  and name HB1  ))
  (( segid "PTBd" and resid 99  and name HA  ))
     6 6 0 peak 5722 weight  0.11000E+01 volume 250.08180 ppm1 2.163 ppm2 4.118
ASSI {  5732}
  (( segid "PTBd" and resid 99  and name HB2  ))
  (( segid "PTBd" and resid 99  and name HA  ))
     6 6 0 peak 5732 weight  0.11000E+01 volume 390.88101 ppm1 2.123 ppm2 4.118
ASSI {  5742}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5742 weight  0.11000E+01 volume 43.66190 ppm1 0.406 ppm2 2.083
ASSI {  5752}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5752 weight  0.11000E+01 volume 16.17070 ppm1 0.407 ppm2 1.925
ASSI {  5762}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5762 weight  0.11000E+01 volume 20.94820 ppm1 0.291 ppm2 1.925
ASSI {  5772}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5772 weight  0.11000E+01 volume 9.97990 ppm1 0.291 ppm2 2.083
ASSI {  5782}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5782 weight  0.11000E+01 volume 88.00450 ppm1 0.671 ppm2 1.925
ASSI {  5792}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5792 weight  0.11000E+01 volume 57.46530 ppm1 0.671 ppm2 2.083
ASSI {  5802}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5802 weight  0.11000E+01 volume 106.08450 ppm1 0.786 ppm2 1.925
ASSI {  5812}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5812 weight  0.11000E+01 volume 29.40370 ppm1 0.786 ppm2 2.083
ASSI {  5822}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5822 weight  0.11000E+01 volume 183.56610 ppm1 1.260 ppm2 2.084
ASSI {  5832}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5832 weight  0.11000E+01 volume 212.55070 ppm1 1.260 ppm2 1.924
ASSI {  5842}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 5842 weight  0.11000E+01 volume 115.27510 ppm1 5.623 ppm2 1.925
ASSI {  5852}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 5852 weight  0.11000E+01 volume 75.14170 ppm1 5.623 ppm2 2.084
ASSI {  5862}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 68  and name HB2  ))
     6 6 0 peak 5862 weight  0.11000E+01 volume 39.01690 ppm1 5.693 ppm2 1.790
ASSI {  5872}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 68  and name HB1  ))
     6 6 0 peak 5872 weight  0.11000E+01 volume 18.28510 ppm1 5.694 ppm2 1.973
ASSI {  5882}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 68  and name HB2  ))
     6 6 0 peak 5882 weight  0.11000E+01 volume 14.42610 ppm1 0.536 ppm2 1.790
ASSI {  5892}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 68  and name HB1  ))
     6 6 0 peak 5892 weight  0.11000E+01 volume 15.38490 ppm1 0.536 ppm2 1.973
ASSI {  5902}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 68  and name HG1  ))
     6 6 0 peak 5902 weight  0.11000E+01 volume 20.30870 ppm1 0.535 ppm2 2.288
ASSI {  5912}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 68  and name HG2  ))
     6 6 0 peak 5912 weight  0.11000E+01 volume 14.39200 ppm1 0.535 ppm2 1.974
ASSI {  5922}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 68  and name HG1  ))
     6 6 0 peak 5922 weight  0.11000E+01 volume 48.24170 ppm1 5.689 ppm2 2.288
ASSI {  5932}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 68  and name HG2  ))
     6 6 0 peak 5932 weight  0.11000E+01 volume 16.17330 ppm1 5.689 ppm2 1.975
ASSI {  5942}
  (( segid "PTBd" and resid 68  and name HB1  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 5942 weight  0.11000E+01 volume 64.78040 ppm1 1.973 ppm2 5.699
ASSI {  5952}
  (( segid "PTBd" and resid 68  and name HG1  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 5952 weight  0.11000E+01 volume 27.20260 ppm1 2.299 ppm2 5.700
ASSI {  5962}
  (( segid "PTBd" and resid 79  and name HD1#  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 5962 weight  0.11000E+01 volume 29.48500 ppm1 0.501 ppm2 5.699
ASSI {  5972}
  (( segid "PTBd" and resid 79  and name HG2#  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 5972 weight  0.11000E+01 volume 29.15380 ppm1 0.536 ppm2 5.699
ASSI {  5982}
  (( segid "PTBd" and resid 79  and name HA  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 5982 weight  0.11000E+01 volume 117.77890 ppm1 4.185 ppm2 5.699
ASSI {  5992}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 107  and name HG1  ))
     6 6 0 peak 5992 weight  0.11000E+01 volume 33.18400 ppm1 0.747 ppm2 2.399
ASSI {  6002}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 6002 weight  0.11000E+01 volume 138.94389 ppm1 0.747 ppm2 2.283
ASSI {  6032}
  (( segid "PTBd" and resid 107  and name HA  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 6032 weight  0.11000E+01 volume 168.61099 ppm1 4.489 ppm2 2.284
ASSI {  6042}
  (( segid "PTBd" and resid 107  and name HA  ))
  (( segid "PTBd" and resid 107  and name HG1  ))
     6 6 0 peak 6042 weight  0.11000E+01 volume 45.76330 ppm1 4.489 ppm2 2.398
ASSI {  6052}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 107  and name HG1  ))
     6 6 0 peak 6052 weight  0.11000E+01 volume 23.42170 ppm1 4.879 ppm2 2.398
ASSI {  6062}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 6062 weight  0.11000E+01 volume 18.19690 ppm1 4.879 ppm2 2.285
ASSI {  6072}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6072 weight  0.11000E+01 volume 29.66030 ppm1 0.251 ppm2 4.480
ASSI {  6082}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6082 weight  0.11000E+01 volume 156.35480 ppm1 0.746 ppm2 4.480
ASSI {  6092}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6092 weight  0.11000E+01 volume 64.15480 ppm1 1.431 ppm2 4.480
ASSI {  6102}
  (( segid "PTBd" and resid 107  and name HG1  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6102 weight  0.11000E+01 volume 25.67670 ppm1 2.381 ppm2 4.480
ASSI {  6112}
  (( segid "PTBd" and resid 107  and name HG2  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6112 weight  0.11000E+01 volume 44.47490 ppm1 2.284 ppm2 4.480
ASSI {  6122}
  (( segid "PTBd" and resid 107  and name HB1  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6122 weight  0.11000E+01 volume 65.00750 ppm1 2.041 ppm2 4.480
ASSI {  6132}
  (( segid "PTBd" and resid 107  and name HB2  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 6132 weight  0.11000E+01 volume 138.44650 ppm1 1.949 ppm2 4.480
ASSI {  6142}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 6142 weight  0.11000E+01 volume 9.38280 ppm1 0.251 ppm2 2.041
ASSI {  6152}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 6152 weight  0.11000E+01 volume 45.76300 ppm1 0.744 ppm2 2.041
ASSI {  6162}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 6162 weight  0.11000E+01 volume 104.42730 ppm1 0.745 ppm2 1.950
ASSI {  6192}
  (( segid "PTBd" and resid 107  and name HA  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 6192 weight  0.11000E+01 volume 383.92819 ppm1 4.489 ppm2 1.950
ASSI {  6202}
  (( segid "PTBd" and resid 107  and name HA  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 6202 weight  0.11000E+01 volume 100.19400 ppm1 4.489 ppm2 2.041
ASSI {  6212}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 6212 weight  0.11000E+01 volume 47.89180 ppm1 4.880 ppm2 1.950
ASSI {  6222}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 6222 weight  0.11000E+01 volume 44.96390 ppm1 4.880 ppm2 2.041
ASSI {  6232}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 6232 weight  0.11000E+01 volume 86.82050 ppm1 3.815 ppm2 4.662
ASSI {  6242}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 6242 weight  0.11000E+01 volume 63.92680 ppm1 3.688 ppm2 4.662
ASSI {  6252}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6252 weight  0.11000E+01 volume 84.33940 ppm1 3.687 ppm2 2.197
ASSI {  6262}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6262 weight  0.11000E+01 volume 77.66880 ppm1 3.815 ppm2 2.197
ASSI {  6272}
  (( segid "PTBd" and resid 108  and name HA  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6272 weight  0.11000E+01 volume 41.96550 ppm1 4.665 ppm2 2.197
ASSI {  6282}
  (( segid "PTBd" and resid 108  and name HG1  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 6282 weight  0.11000E+01 volume 33.69240 ppm1 2.192 ppm2 4.662
ASSI {  6292}
  (( segid "PTBd" and resid 108  and name HB1  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 6292 weight  0.11000E+01 volume 75.81510 ppm1 1.987 ppm2 4.662
ASSI {  6302}
  (( segid "PTBd" and resid 108  and name HB2  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 6302 weight  0.11000E+01 volume 59.60980 ppm1 1.817 ppm2 4.662
ASSI {  6312}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 108  and name HB1  ))
     6 6 0 peak 6312 weight  0.11000E+01 volume 65.29550 ppm1 3.688 ppm2 1.993
ASSI {  6322}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 108  and name HB2  ))
     6 6 0 peak 6322 weight  0.11000E+01 volume 108.16490 ppm1 3.688 ppm2 1.814
ASSI {  6332}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 108  and name HB2  ))
     6 6 0 peak 6332 weight  0.11000E+01 volume 58.00580 ppm1 3.815 ppm2 1.814
ASSI {  6342}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 108  and name HB1  ))
     6 6 0 peak 6342 weight  0.11000E+01 volume 82.16770 ppm1 3.815 ppm2 1.993
ASSI {  6352}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 108  and name HB2  ))
     6 6 0 peak 6352 weight  0.11000E+01 volume 9.97730 ppm1 4.880 ppm2 1.814
ASSI {  6362}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6362 weight  0.11000E+01 volume 22.39390 ppm1 1.172 ppm2 2.197
ASSI {  6392}
  (( segid "PTBd" and resid 89  and name HG1  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 6392 weight  0.11000E+01 volume 40.84020 ppm1 2.449 ppm2 3.960
ASSI {  6402}
  (( segid "PTBd" and resid 89  and name HG2  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 6402 weight  0.11000E+01 volume 61.76870 ppm1 2.357 ppm2 3.960
ASSI {  6412}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6412 weight  0.11000E+01 volume 12.60090 ppm1 6.918 ppm2 2.245
ASSI {  6422}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6422 weight  0.11000E+01 volume 41.17680 ppm1 7.070 ppm2 2.245
ASSI {  6432}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6432 weight  0.11000E+01 volume 60.87780 ppm1 7.025 ppm2 2.245
ASSI {  6442}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6442 weight  0.11000E+01 volume 33.82130 ppm1 4.983 ppm2 2.245
ASSI {  6452}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 89  and name HG2  ))
     6 6 0 peak 6452 weight  0.11000E+01 volume 138.65961 ppm1 3.965 ppm2 2.353
ASSI {  6462}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 89  and name HG1  ))
     6 6 0 peak 6462 weight  0.11000E+01 volume 21.96660 ppm1 3.965 ppm2 2.445
ASSI {  6472}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 89  and name HG1  ))
     6 6 0 peak 6472 weight  0.11000E+01 volume 28.14110 ppm1 7.024 ppm2 2.445
ASSI {  6482}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 89  and name HG2  ))
     6 6 0 peak 6482 weight  0.11000E+01 volume 70.78040 ppm1 7.024 ppm2 2.353
ASSI {  6492}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 89  and name HG2  ))
     6 6 0 peak 6492 weight  0.11000E+01 volume 32.17570 ppm1 7.070 ppm2 2.353
ASSI {  6502}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 89  and name HG1  ))
     6 6 0 peak 6502 weight  0.11000E+01 volume 15.32380 ppm1 7.070 ppm2 2.445
ASSI {  6512}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6512 weight  0.11000E+01 volume 234.16640 ppm1 3.964 ppm2 2.244
ASSI {  6522}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 89  and name HG1  ))
     6 6 0 peak 6522 weight  0.11000E+01 volume 75.59460 ppm1 2.746 ppm2 2.446
ASSI {  6532}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 89  and name HG2  ))
     6 6 0 peak 6532 weight  0.11000E+01 volume 44.15180 ppm1 2.747 ppm2 2.353
ASSI {  6542}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6542 weight  0.11000E+01 volume 39.39630 ppm1 2.746 ppm2 2.244
ASSI {  6552}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 6552 weight  0.11000E+01 volume 6.94760 ppm1 2.991 ppm2 2.244
ASSI {  6592}
  (( segid "PTBd" and resid 92  and name HB2  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 6592 weight  0.11000E+01 volume 89.00830 ppm1 2.751 ppm2 3.960
ASSI {  6602}
  (( segid "PTBd" and resid 92  and name HB1  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 6602 weight  0.11000E+01 volume 65.04200 ppm1 2.836 ppm2 3.960
ASSI {  6612}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 6612 weight  0.11000E+01 volume 67.09120 ppm1 2.248 ppm2 3.961
ASSI {  6622}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 96  and name HG1  ))
     6 6 0 peak 6622 weight  0.11000E+01 volume 108.82050 ppm1 3.917 ppm2 2.329
ASSI {  6632}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 96  and name HG2  ))
     6 6 0 peak 6632 weight  0.11000E+01 volume 203.89841 ppm1 3.917 ppm2 2.128
ASSI {  6642}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 96  and name HG1  ))
     6 6 0 peak 6642 weight  0.11000E+01 volume 41.29910 ppm1 4.102 ppm2 2.329
ASSI {  6652}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 96  and name HG2  ))
     6 6 0 peak 6652 weight  0.11000E+01 volume 68.35370 ppm1 4.102 ppm2 2.128
ASSI {  6662}
  (( segid "PTBd" and resid 96  and name HG2  ))
  (( segid "PTBd" and resid 96  and name HA  ))
     6 6 0 peak 6662 weight  0.11000E+01 volume 323.08441 ppm1 2.128 ppm2 3.917
ASSI {  6672}
  (( segid "PTBd" and resid 96  and name HG1  ))
  (( segid "PTBd" and resid 96  and name HA  ))
     6 6 0 peak 6672 weight  0.11000E+01 volume 63.96030 ppm1 2.329 ppm2 3.917
ASSI {  6682}
  (( segid "PTBd" and resid 96  and name HA  ))
  (( segid "PTBd" and resid 96  and name HB1  ))
     6 6 0 peak 6682 weight  0.11000E+01 volume 518.18408 ppm1 3.916 ppm2 2.107
ASSI {  6692}
  (( segid "FGFR" and resid 218  and name HA  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6692 weight  0.11000E+01 volume 16.12050 ppm1 5.162 ppm2 2.197
ASSI {  6702}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6702 weight  0.11000E+01 volume 20.67860 ppm1 4.879 ppm2 2.197
ASSI {  6712}
  (( segid "PTBd" and resid 112  and name HA  ))
  (( segid "PTBd" and resid 112  and name HG1  ))
     6 6 0 peak 6712 weight  0.11000E+01 volume 115.83750 ppm1 4.254 ppm2 2.198
ASSI {  6722}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 6722 weight  0.11000E+01 volume 116.19130 ppm1 3.977 ppm2 2.198
ASSI {  6732}
  (( segid "PTBd" and resid 111  and name HG1#  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 6732 weight  0.11000E+01 volume 46.27870 ppm1 0.859 ppm2 4.254
ASSI {  6742}
  (( segid "PTBd" and resid 112  and name HG1  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 6742 weight  0.11000E+01 volume 80.91160 ppm1 2.197 ppm2 4.254
ASSI {  6752}
  (( segid "PTBd" and resid 111  and name HA  ))
  (( segid "PTBd" and resid 112  and name HG1  ))
     6 6 0 peak 6752 weight  0.11000E+01 volume 18.03660 ppm1 4.075 ppm2 2.198
ASSI {  6762}
  (( segid "PTBd" and resid 112  and name HA  ))
  (( segid "PTBd" and resid 112  and name HB2  ))
     6 6 0 peak 6762 weight  0.11000E+01 volume 178.13780 ppm1 4.254 ppm2 1.885
ASSI {  6772}
  (( segid "PTBd" and resid 112  and name HA  ))
  (( segid "PTBd" and resid 112  and name HB1  ))
     6 6 0 peak 6772 weight  0.11000E+01 volume 347.17709 ppm1 4.254 ppm2 1.979
ASSI {  6782}
  (( segid "PTBd" and resid 112  and name HB1  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 6782 weight  0.11000E+01 volume 322.92969 ppm1 1.982 ppm2 4.254
ASSI {  6792}
  (( segid "PTBd" and resid 112  and name HB2  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 6792 weight  0.11000E+01 volume 226.65649 ppm1 1.885 ppm2 4.254
ASSI {  6812}
  (( segid "PTBd" and resid 119  and name HA  ))
  (( segid "PTBd" and resid 119  and name HG1  ))
     6 6 0 peak 6812 weight  0.11000E+01 volume 57.87760 ppm1 4.273 ppm2 2.220
ASSI {  6822}
  (( segid "PTBd" and resid 119  and name HG1  ))
  (( segid "PTBd" and resid 119  and name HA  ))
     6 6 0 peak 6822 weight  0.11000E+01 volume 93.37250 ppm1 2.220 ppm2 4.273
ASSI {  6832}
  (( segid "PTBd" and resid 119  and name HA  ))
  (( segid "PTBd" and resid 119  and name HB1  ))
     6 6 0 peak 6832 weight  0.11000E+01 volume 80.82640 ppm1 4.273 ppm2 2.030
ASSI {  6842}
  (( segid "PTBd" and resid 119  and name HA  ))
  (( segid "PTBd" and resid 119  and name HB2  ))
     6 6 0 peak 6842 weight  0.11000E+01 volume 93.82030 ppm1 4.273 ppm2 1.933
ASSI {  6852}
  (( segid "PTBd" and resid 57  and name HA  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 6852 weight  0.11000E+01 volume 24.72710 ppm1 5.330 ppm2 1.544
ASSI {  6862}
  (( segid "PTBd" and resid 57  and name HA  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 6862 weight  0.11000E+01 volume 16.01740 ppm1 5.330 ppm2 1.619
ASSI {  6872}
  (( segid "PTBd" and resid 57  and name HA  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 6872 weight  0.11000E+01 volume 60.89710 ppm1 5.330 ppm2 1.972
ASSI {  6882}
  (( segid "PTBd" and resid 57  and name HA  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6882 weight  0.11000E+01 volume 87.42590 ppm1 5.331 ppm2 1.809
ASSI {  6892}
  (( segid "PTBd" and resid 57  and name HD2  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6892 weight  0.11000E+01 volume 29.75370 ppm1 2.991 ppm2 1.809
ASSI {  6902}
  (( segid "PTBd" and resid 57  and name HD2  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 6902 weight  0.11000E+01 volume 63.52510 ppm1 2.991 ppm2 1.972
ASSI {  6912}
  (( segid "PTBd" and resid 57  and name HD1  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 6912 weight  0.11000E+01 volume 44.75260 ppm1 3.125 ppm2 1.972
ASSI {  6922}
  (( segid "PTBd" and resid 57  and name HD1  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6922 weight  0.11000E+01 volume 53.40520 ppm1 3.125 ppm2 1.809
ASSI {  6932}
  (( segid "PTBd" and resid 57  and name HD2  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 6932 weight  0.11000E+01 volume 62.98680 ppm1 2.990 ppm2 1.618
ASSI {  6942}
  (( segid "PTBd" and resid 57  and name HD1  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 6942 weight  0.11000E+01 volume 227.90160 ppm1 3.125 ppm2 1.618
ASSI {  6952}
  (( segid "PTBd" and resid 57  and name HD1  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 6952 weight  0.11000E+01 volume 222.91100 ppm1 3.125 ppm2 1.544
ASSI {  6962}
  (( segid "PTBd" and resid 57  and name HD2  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 6962 weight  0.11000E+01 volume 83.32720 ppm1 2.990 ppm2 1.544
ASSI {  6972}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 6972 weight  0.11000E+01 volume 77.82460 ppm1 1.172 ppm2 1.970
ASSI {  6982}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6982 weight  0.11000E+01 volume 18.93760 ppm1 1.172 ppm2 1.809
ASSI {  6992}
  (( segid "PTBd" and resid 57  and name HB1  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 6992 weight  0.11000E+01 volume 50.08550 ppm1 1.972 ppm2 5.338
ASSI {  7002}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 7002 weight  0.11000E+01 volume 8.23710 ppm1 1.171 ppm2 5.337
ASSI {  7012}
  (( segid "PTBd" and resid 57  and name HB2  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 7012 weight  0.11000E+01 volume 57.52800 ppm1 1.802 ppm2 5.338
ASSI {  7022}
  (( segid "PTBd" and resid 57  and name HG1  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 7022 weight  0.11000E+01 volume 16.22850 ppm1 1.617 ppm2 5.338
ASSI {  7032}
  (( segid "PTBd" and resid 57  and name HG2  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 7032 weight  0.11000E+01 volume 35.34400 ppm1 1.544 ppm2 5.338
ASSI {  7042}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 7042 weight  0.11000E+01 volume 3.61094 ppm1 0.847 ppm2 5.337
ASSI {  7052}
  (( segid "PTBd" and resid 57  and name HB1  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7052 weight  0.11000E+01 volume 183.37520 ppm1 1.972 ppm2 2.987
ASSI {  7062}
  (( segid "PTBd" and resid 57  and name HB2  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7062 weight  0.11000E+01 volume 30.31470 ppm1 1.802 ppm2 2.987
ASSI {  7072}
  (( segid "PTBd" and resid 57  and name HG1  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7072 weight  0.11000E+01 volume 159.85330 ppm1 1.617 ppm2 2.987
ASSI {  7082}
  (( segid "PTBd" and resid 57  and name HG2  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7082 weight  0.11000E+01 volume 340.90439 ppm1 1.543 ppm2 2.987
ASSI {  7092}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7092 weight  0.11000E+01 volume 6.30220 ppm1 1.171 ppm2 2.987
ASSI {  7102}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HD1  ))
     6 6 0 peak 7102 weight  0.11000E+01 volume 12.03970 ppm1 1.171 ppm2 3.146
ASSI {  7112}
  (( segid "PTBd" and resid 85  and name HB#  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7112 weight  0.11000E+01 volume 8.76050 ppm1 1.626 ppm2 5.171
ASSI {  7122}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7122 weight  0.11000E+01 volume 80.77130 ppm1 1.808 ppm2 5.171
ASSI {  7132}
  (( segid "PTBd" and resid 63  and name HB2  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7132 weight  0.11000E+01 volume 78.51490 ppm1 2.834 ppm2 5.170
ASSI {  7142}
  (( segid "PTBd" and resid 63  and name HB1  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7142 weight  0.11000E+01 volume 88.44370 ppm1 3.012 ppm2 5.170
ASSI {  7152}
  (( segid "PTBd" and resid 85  and name HA  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7152 weight  0.11000E+01 volume 56.48550 ppm1 4.583 ppm2 5.170
ASSI {  7162}
  (( segid "PTBd" and resid 63  and name HA  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 7162 weight  0.11000E+01 volume 73.54640 ppm1 5.165 ppm2 2.827
ASSI {  7172}
  (( segid "PTBd" and resid 63  and name HA  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 7172 weight  0.11000E+01 volume 281.60959 ppm1 5.165 ppm2 3.014
ASSI {  7182}
  (( segid "PTBd" and resid 85  and name HB#  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 7182 weight  0.11000E+01 volume 9.73760 ppm1 1.625 ppm2 2.826
ASSI {  7192}
  (( segid "PTBd" and resid 85  and name HB#  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 7192 weight  0.11000E+01 volume 7.66640 ppm1 1.626 ppm2 3.014
ASSI {  7202}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 7202 weight  0.11000E+01 volume 12.56270 ppm1 1.806 ppm2 3.014
ASSI {  7242}
  (( segid "PTBd" and resid 51  and name HB1  ))
  (( segid "PTBd" and resid 51  and name HA  ))
     6 6 0 peak 7242 weight  0.11000E+01 volume 58.47900 ppm1 3.255 ppm2 4.482
ASSI {  7252}
  (( segid "PTBd" and resid 51  and name HB2  ))
  (( segid "PTBd" and resid 51  and name HA  ))
     6 6 0 peak 7252 weight  0.11000E+01 volume 80.26310 ppm1 3.093 ppm2 4.482
ASSI {  7262}
  (( segid "PTBd" and resid 51  and name HA  ))
  (( segid "PTBd" and resid 51  and name HB1  ))
     6 6 0 peak 7262 weight  0.11000E+01 volume 16.62760 ppm1 4.480 ppm2 3.261
ASSI {  7272}
  (( segid "PTBd" and resid 51  and name HA  ))
  (( segid "PTBd" and resid 51  and name HB2  ))
     6 6 0 peak 7272 weight  0.11000E+01 volume 116.10030 ppm1 4.480 ppm2 3.096
ASSI {  7282}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 51  and name HB1  ))
     6 6 0 peak 7282 weight  0.11000E+01 volume 44.19240 ppm1 7.086 ppm2 3.261
ASSI {  7292}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 51  and name HB2  ))
     6 6 0 peak 7292 weight  0.11000E+01 volume 65.40260 ppm1 7.086 ppm2 3.096
ASSI {  7302}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 51  and name HA  ))
     6 6 0 peak 7302 weight  0.11000E+01 volume 9.96790 ppm1 7.086 ppm2 4.481
ASSI {  7312}
  (( segid "PTBd" and resid 37  and name HG1  ))
  (( segid "PTBd" and resid 37  and name HA  ))
     6 6 0 peak 7312 weight  0.11000E+01 volume 43.10130 ppm1 1.935 ppm2 4.481
ASSI {  7322}
  (( segid "PTBd" and resid 37  and name HG2  ))
  (( segid "PTBd" and resid 37  and name HA  ))
     6 6 0 peak 7322 weight  0.11000E+01 volume 57.93050 ppm1 1.692 ppm2 4.481
ASSI {  7332}
  (( segid "PTBd" and resid 37  and name HB1  ))
  (( segid "PTBd" and resid 37  and name HA  ))
     6 6 0 peak 7332 weight  0.11000E+01 volume 19.84640 ppm1 1.509 ppm2 4.481
ASSI {  7342}
  (( segid "PTBd" and resid 37  and name HB2  ))
  (( segid "PTBd" and resid 37  and name HA  ))
     6 6 0 peak 7342 weight  0.11000E+01 volume 19.84390 ppm1 1.430 ppm2 4.481
ASSI {  7352}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 32  and name HG1  ))
     6 6 0 peak 7352 weight  0.11000E+01 volume 74.53820 ppm1 5.431 ppm2 2.108
ASSI {  7362}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 32  and name HG2  ))
     6 6 0 peak 7362 weight  0.11000E+01 volume 58.46390 ppm1 5.431 ppm2 1.948
ASSI {  7372}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 7372 weight  0.11000E+01 volume 8.79340 ppm1 6.795 ppm2 5.430
ASSI {  7382}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 7382 weight  0.11000E+01 volume 294.10529 ppm1 5.168 ppm2 5.429
ASSI {  7392}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7392 weight  0.11000E+01 volume 47.17720 ppm1 1.927 ppm2 5.630
ASSI {  7402}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 7402 weight  0.11000E+01 volume 12.82900 ppm1 0.662 ppm2 5.430
ASSI {  7412}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 7412 weight  0.11000E+01 volume 24.61710 ppm1 0.775 ppm2 5.429
ASSI {  7422}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 7422 weight  0.11000E+01 volume 5.61250 ppm1 1.259 ppm2 5.429
ASSI {  7432}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 32  and name HG1  ))
     6 6 0 peak 7432 weight  0.11000E+01 volume 19.20560 ppm1 1.193 ppm2 2.107
ASSI {  7442}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 32  and name HG2  ))
     6 6 0 peak 7442 weight  0.11000E+01 volume 71.37410 ppm1 1.193 ppm2 1.949
ASSI {  7452}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 32  and name HB2  ))
     6 6 0 peak 7452 weight  0.11000E+01 volume 72.67630 ppm1 6.795 ppm2 1.814
ASSI {  7462}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7462 weight  0.11000E+01 volume 95.05560 ppm1 2.075 ppm2 5.630
ASSI {  7472}
  (( segid "PTBd" and resid 31  and name HB1  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7472 weight  0.11000E+01 volume 34.50260 ppm1 1.902 ppm2 5.630
ASSI {  7482}
  (( segid "PTBd" and resid 40  and name HA  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7482 weight  0.11000E+01 volume 106.83260 ppm1 5.233 ppm2 5.631
ASSI {  7492}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7492 weight  0.11000E+01 volume 57.98720 ppm1 1.255 ppm2 5.630
ASSI {  7502}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7502 weight  0.11000E+01 volume 15.56490 ppm1 0.777 ppm2 5.631
ASSI {  7512}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7512 weight  0.11000E+01 volume 49.79590 ppm1 0.706 ppm2 5.631
ASSI {  7522}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7522 weight  0.11000E+01 volume 12.17610 ppm1 0.622 ppm2 5.632
ASSI {  7532}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 7532 weight  0.11000E+01 volume 55.19720 ppm1 5.623 ppm2 1.544
ASSI {  7542}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7542 weight  0.11000E+01 volume 53.83020 ppm1 5.623 ppm2 1.903
ASSI {  7552}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 7552 weight  0.11000E+01 volume 63.58170 ppm1 1.260 ppm2 1.543
ASSI {  7562}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7562 weight  0.11000E+01 volume 51.45860 ppm1 1.260 ppm2 1.901
ASSI {  7572}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 7572 weight  0.11000E+01 volume 53.37450 ppm1 0.786 ppm2 1.544
ASSI {  7582}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7582 weight  0.11000E+01 volume 47.89410 ppm1 0.786 ppm2 1.902
ASSI {  7592}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 7592 weight  0.11000E+01 volume 40.68220 ppm1 0.705 ppm2 1.544
ASSI {  7602}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7602 weight  0.11000E+01 volume 33.67600 ppm1 0.705 ppm2 1.902
ASSI {  7612}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 7612 weight  0.11000E+01 volume 48.35430 ppm1 0.622 ppm2 1.544
ASSI {  7622}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7622 weight  0.11000E+01 volume 41.60480 ppm1 0.621 ppm2 1.903
ASSI {  7632}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 7632 weight  0.11000E+01 volume 8.40460 ppm1 -0.590 ppm2 1.925
ASSI {  7642}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG2  ))
     6 6 0 peak 7642 weight  0.11000E+01 volume 37.71150 ppm1 -0.257 ppm2 1.925
ASSI {  7652}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HG1  ))
     6 6 0 peak 7652 weight  0.11000E+01 volume 4.54730 ppm1 -0.257 ppm2 2.084
ASSI {  7662}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 7662 weight  0.11000E+01 volume 7.32140 ppm1 -0.254 ppm2 1.901
ASSI {  7672}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 32  and name HB2  ))
     6 6 0 peak 7672 weight  0.11000E+01 volume 51.37020 ppm1 5.433 ppm2 1.812
ASSI {  7682}
  (( segid "PTBd" and resid 25  and name HG1  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7682 weight  0.11000E+01 volume 195.43710 ppm1 2.568 ppm2 4.007
ASSI {  7692}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 25  and name HG1  ))
     6 6 0 peak 7692 weight  0.11000E+01 volume 45.96320 ppm1 4.015 ppm2 2.580
ASSI {  7702}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 25  and name HG2  ))
     6 6 0 peak 7702 weight  0.11000E+01 volume 37.72030 ppm1 4.016 ppm2 1.924
ASSI {  7712}
  (( segid "PTBd" and resid 25  and name HB2  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7712 weight  0.11000E+01 volume 191.42821 ppm1 1.862 ppm2 4.007
ASSI {  7722}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 25  and name HG1  ))
     6 6 0 peak 7722 weight  0.11000E+01 volume 52.15180 ppm1 0.895 ppm2 2.580
ASSI {  7732}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 25  and name HG1  ))
     6 6 0 peak 7732 weight  0.11000E+01 volume 16.00450 ppm1 0.815 ppm2 2.580
ASSI {  7742}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 25  and name HG2  ))
     6 6 0 peak 7742 weight  0.11000E+01 volume 53.38180 ppm1 0.815 ppm2 1.924
ASSI {  7752}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 25  and name HG2  ))
     6 6 0 peak 7752 weight  0.11000E+01 volume 50.73230 ppm1 0.895 ppm2 1.924
ASSI {  7762}
  (( segid "PTBd" and resid 17  and name HD1#  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7762 weight  0.11000E+01 volume 91.69270 ppm1 0.894 ppm2 4.007
ASSI {  7772}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7772 weight  0.11000E+01 volume 97.49540 ppm1 0.814 ppm2 4.007
ASSI {  7782}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7782 weight  0.11000E+01 volume 30.36490 ppm1 0.637 ppm2 4.007
ASSI {  7792}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 25  and name HB1  ))
     6 6 0 peak 7792 weight  0.11000E+01 volume 33.69330 ppm1 0.895 ppm2 1.991
ASSI {  7802}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 25  and name HB1  ))
     6 6 0 peak 7802 weight  0.11000E+01 volume 80.24540 ppm1 4.010 ppm2 1.991
ASSI {  7812}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 25  and name HB2  ))
     6 6 0 peak 7812 weight  0.11000E+01 volume 195.23199 ppm1 4.010 ppm2 1.862
ASSI {  7822}
  (( segid "PTBd" and resid 25  and name HB1  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 7822 weight  0.11000E+01 volume 71.53640 ppm1 1.992 ppm2 4.007
ASSI {  7832}
  (( segid "PTBd" and resid 18  and name HB1  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 7832 weight  0.11000E+01 volume 17.18510 ppm1 3.124 ppm2 4.521
ASSI {  7842}
  (( segid "PTBd" and resid 18  and name HB2  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 7842 weight  0.11000E+01 volume 29.50060 ppm1 2.879 ppm2 4.521
ASSI {  7852}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 7852 weight  0.11000E+01 volume 75.38770 ppm1 5.410 ppm2 4.522
ASSI {  7862}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 18  and name HB2  ))
     6 6 0 peak 7862 weight  0.11000E+01 volume 19.79450 ppm1 4.530 ppm2 2.879
ASSI {  7872}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 14  and name HA  ))
     6 6 0 peak 7872 weight  0.11000E+01 volume 60.37140 ppm1 6.916 ppm2 4.480
ASSI {  7882}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 7882 weight  0.11000E+01 volume 274.64410 ppm1 4.880 ppm2 4.480
ASSI {  7892}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 7892 weight  0.11000E+01 volume 82.16130 ppm1 6.922 ppm2 2.628
ASSI {  7902}
  (( segid "PTBd" and resid 14  and name HA  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 7902 weight  0.11000E+01 volume 58.42280 ppm1 4.480 ppm2 2.627
ASSI {  7912}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 7912 weight  0.11000E+01 volume 39.80260 ppm1 -0.259 ppm2 2.627
ASSI {  7922}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 7922 weight  0.11000E+01 volume 41.59790 ppm1 0.784 ppm2 2.627
ASSI {  7932}
  (( segid "PTBd" and resid 31  and name HB1  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 7932 weight  0.11000E+01 volume 18.02320 ppm1 1.903 ppm2 2.626
ASSI {  7942}
  (( segid "PTBd" and resid 14  and name HB1  ))
  (( segid "PTBd" and resid 14  and name HA  ))
     6 6 0 peak 7942 weight  0.11000E+01 volume 170.09740 ppm1 2.619 ppm2 4.480
ASSI {  7952}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 7952 weight  0.11000E+01 volume 27.61520 ppm1 1.808 ppm2 5.748
ASSI {  7962}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 7962 weight  0.11000E+01 volume 9.31800 ppm1 0.600 ppm2 5.748
ASSI {  7972}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 7972 weight  0.11000E+01 volume 30.57180 ppm1 0.515 ppm2 5.748
ASSI {  7982}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 60  and name HB1  ))
     6 6 0 peak 7982 weight  0.11000E+01 volume 11.98980 ppm1 1.808 ppm2 3.642
ASSI {  7992}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HB1  ))
     6 6 0 peak 7992 weight  0.11000E+01 volume 20.63990 ppm1 6.451 ppm2 3.642
ASSI {  8002}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 8002 weight  0.11000E+01 volume 37.26200 ppm1 6.451 ppm2 2.939
ASSI {  8012}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 8012 weight  0.11000E+01 volume 39.17460 ppm1 1.808 ppm2 2.939
ASSI {  8032}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 8032 weight  0.11000E+01 volume 52.59670 ppm1 5.562 ppm2 5.748
ASSI {  8042}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 8042 weight  0.11000E+01 volume 37.38930 ppm1 6.452 ppm2 5.748
ASSI {  8052}
  (( segid "PTBd" and resid 67  and name HB2  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 8052 weight  0.11000E+01 volume 26.21100 ppm1 2.909 ppm2 5.475
ASSI {  8062}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 8062 weight  0.11000E+01 volume 10.61460 ppm1 0.620 ppm2 5.475
ASSI {  8072}
  (( segid "PTBd" and resid 67  and name HA  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 8072 weight  0.11000E+01 volume 28.17990 ppm1 5.320 ppm2 5.475
ASSI {  8082}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 8082 weight  0.11000E+01 volume 30.05990 ppm1 6.773 ppm2 5.475
ASSI {  8092}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HB2  ))
     6 6 0 peak 8092 weight  0.11000E+01 volume 23.91710 ppm1 6.776 ppm2 3.188
ASSI {  8102}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HB1  ))
     6 6 0 peak 8102 weight  0.11000E+01 volume 23.02560 ppm1 6.776 ppm2 3.486
ASSI {  8112}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 8112 weight  0.11000E+01 volume 73.59400 ppm1 7.029 ppm2 5.087
ASSI {  8122}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 8122 weight  0.11000E+01 volume 9.71060 ppm1 6.799 ppm2 5.087
ASSI {  8132}
  (( segid "PTBd" and resid 42  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 8132 weight  0.11000E+01 volume 18.88180 ppm1 1.261 ppm2 5.087
ASSI {  8142}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 8142 weight  0.11000E+01 volume 257.82141 ppm1 7.029 ppm2 2.941
ASSI {  8152}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 8152 weight  0.11000E+01 volume 34.30850 ppm1 7.029 ppm2 3.032
ASSI {  8162}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 8162 weight  0.11000E+01 volume 22.81950 ppm1 6.797 ppm2 3.033
ASSI {  8172}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 8172 weight  0.11000E+01 volume 14.79410 ppm1 1.794 ppm2 2.941
ASSI {  8182}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 8182 weight  0.11000E+01 volume 16.80620 ppm1 1.794 ppm2 3.032
ASSI {  8192}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 8192 weight  0.11000E+01 volume 71.26640 ppm1 0.777 ppm2 2.940
ASSI {  8202}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 8202 weight  0.11000E+01 volume 18.46410 ppm1 0.777 ppm2 3.032
ASSI {  8212}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HB1  ))
     6 6 0 peak 8212 weight  0.11000E+01 volume 10.38580 ppm1 0.876 ppm2 3.033
ASSI {  8222}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HB2  ))
     6 6 0 peak 8222 weight  0.11000E+01 volume 40.78740 ppm1 0.875 ppm2 2.625
ASSI {  8232}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 52  and name HB2  ))
     6 6 0 peak 8232 weight  0.11000E+01 volume 10.13260 ppm1 4.298 ppm2 2.625
ASSI {  8242}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 52  and name HB1  ))
     6 6 0 peak 8242 weight  0.11000E+01 volume 13.01720 ppm1 4.298 ppm2 3.033
ASSI {  8252}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 52  and name HB1  ))
     6 6 0 peak 8252 weight  0.11000E+01 volume 7.40550 ppm1 6.645 ppm2 3.033
ASSI {  8262}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 52  and name HB2  ))
     6 6 0 peak 8262 weight  0.11000E+01 volume 36.99910 ppm1 6.645 ppm2 2.625
ASSI {  8272}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8272 weight  0.11000E+01 volume 27.64380 ppm1 6.402 ppm2 4.295
ASSI {  8282}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8282 weight  0.11000E+01 volume 51.04080 ppm1 6.650 ppm2 4.295
ASSI {  8292}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8292 weight  0.11000E+01 volume 62.89840 ppm1 3.014 ppm2 4.295
ASSI {  8302}
  (( segid "PTBd" and resid 52  and name HB2  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8302 weight  0.11000E+01 volume 57.17390 ppm1 2.608 ppm2 4.295
ASSI {  8312}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8312 weight  0.11000E+01 volume 8.61790 ppm1 1.860 ppm2 4.295
ASSI {  8322}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 8322 weight  0.11000E+01 volume 74.37600 ppm1 0.751 ppm2 4.295
ASSI {  8332}
  (( segid "PTBd" and resid 106  and name HB  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 8332 weight  0.11000E+01 volume 154.91380 ppm1 1.959 ppm2 4.344
ASSI {  8342}
  (( segid "PTBd" and resid 106  and name HG1#  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 8342 weight  0.11000E+01 volume 166.68060 ppm1 0.893 ppm2 4.344
ASSI {  8352}
  (( segid "PTBd" and resid 106  and name HG2#  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 8352 weight  0.11000E+01 volume 303.82520 ppm1 0.853 ppm2 4.344
ASSI {  8362}
  (( segid "PTBd" and resid 106  and name HA  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 8362 weight  0.11000E+01 volume 66.54230 ppm1 4.351 ppm2 1.970
ASSI {  8372}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 8372 weight  0.11000E+01 volume 110.38850 ppm1 3.979 ppm2 1.970
ASSI {  8382}
  (( segid "PTBd" and resid 106  and name HG1#  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 8382 weight  0.11000E+01 volume 212.53500 ppm1 0.893 ppm2 1.970
ASSI {  8392}
  (( segid "PTBd" and resid 106  and name HG2#  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 8392 weight  0.11000E+01 volume 183.97980 ppm1 0.853 ppm2 1.970
ASSI {  8402}
  (( segid "PTBd" and resid 120  and name HD1#  ))
  (( segid "PTBd" and resid 120  and name HB1  ))
     6 6 0 peak 8402 weight  0.11000E+01 volume 105.34210 ppm1 0.887 ppm2 1.595
ASSI {  8412}
  (( segid "PTBd" and resid 120  and name HD2#  ))
  (( segid "PTBd" and resid 120  and name HB1  ))
     6 6 0 peak 8412 weight  0.11000E+01 volume 29.20680 ppm1 0.833 ppm2 1.595
ASSI {  8422}
  (( segid "PTBd" and resid 120  and name HA  ))
  (( segid "PTBd" and resid 120  and name HB1  ))
     6 6 0 peak 8422 weight  0.11000E+01 volume 9.48690 ppm1 4.298 ppm2 1.595
ASSI {  8432}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 53  and name HG  ))
     6 6 0 peak 8432 weight  0.11000E+01 volume 106.12910 ppm1 4.306 ppm2 1.577
ASSI {  8442}
  (( segid "PTBd" and resid 120  and name HA  ))
  (( segid "PTBd" and resid 120  and name HD2#  ))
     6 6 0 peak 8442 weight  0.11000E+01 volume 197.01620 ppm1 4.298 ppm2 0.841
ASSI {  8452}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 8452 weight  0.11000E+01 volume 22.3717 ppm1 4.306 ppm2 0.910
ASSI {  8462}
  (( segid "PTBd" and resid 80  and name HE1  ))
  (( segid "PTBd" and resid 80  and name HB1  ))
     6 6 0 peak 8462 weight  0.11000E+01 volume 7.79920 ppm1 7.256 ppm2 2.423
ASSI {  8472}
  (( segid "PTBd" and resid 80  and name HE1  ))
  (( segid "PTBd" and resid 80  and name HB2  ))
     6 6 0 peak 8472 weight  0.11000E+01 volume 7.71820 ppm1 7.256 ppm2 1.450
ASSI {  8482}
  (( segid "PTBd" and resid 80  and name HD1  ))
  (( segid "PTBd" and resid 80  and name HB2  ))
     6 6 0 peak 8482 weight  0.11000E+01 volume 8.18250 ppm1 6.617 ppm2 1.450
ASSI {  8492}
  (( segid "PTBd" and resid 80  and name HD1  ))
  (( segid "PTBd" and resid 80  and name HB1  ))
     6 6 0 peak 8492 weight  0.11000E+01 volume 6.14150 ppm1 6.617 ppm2 2.423
ASSI {  8502}
  (( segid "FGFR" and resid 208  and name HA  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8502 weight  0.11000E+01 volume 16.88950 ppm1 4.103 ppm2 4.730
ASSI {  8512}
  (( segid "PTBd" and resid 80  and name HB1  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8512 weight  0.11000E+01 volume 50.08700 ppm1 2.428 ppm2 4.729
ASSI {  8522}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8522 weight  0.11000E+01 volume 40.66270 ppm1 1.665 ppm2 4.730
ASSI {  8532}
  (( segid "PTBd" and resid 80  and name HB2  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8532 weight  0.11000E+01 volume 35.16970 ppm1 1.434 ppm2 4.729
ASSI {  8542}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 80  and name HB1  ))
     6 6 0 peak 8542 weight  0.11000E+01 volume 5.41110 ppm1 1.023 ppm2 2.421
ASSI {  8552}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8552 weight  0.11000E+01 volume 5.73980 ppm1 1.022 ppm2 4.730
ASSI {  8562}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 80  and name HA  ))
     6 6 0 peak 8562 weight  0.11000E+01 volume 31.48810 ppm1 0.657 ppm2 4.729
ASSI {  8572}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 50  and name HA  ))
     6 6 0 peak 8572 weight  0.11000E+01 volume 7.80450 ppm1 7.597 ppm2 4.658
ASSI {  8592}
  (( segid "PTBd" and resid 50  and name HB1  ))
  (( segid "PTBd" and resid 50  and name HA  ))
     6 6 0 peak 8592 weight  0.11000E+01 volume 31.99850 ppm1 3.027 ppm2 4.658
ASSI {  8602}
  (( segid "PTBd" and resid 50  and name HB2  ))
  (( segid "PTBd" and resid 50  and name HA  ))
     6 6 0 peak 8602 weight  0.11000E+01 volume 42.05500 ppm1 2.593 ppm2 4.658
ASSI {  8612}
  (( segid "PTBd" and resid 50  and name HZ2  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 8612 weight  0.11000E+01 volume 35.80120 ppm1 5.998 ppm2 -0.063
ASSI {  8622}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 8622 weight  0.11000E+01 volume 44.20690 ppm1 6.633 ppm2 -0.063
ASSI {  8632}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 8632 weight  0.11000E+01 volume 37.38730 ppm1 6.680 ppm2 -0.063
ASSI {  8642}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 50  and name HB1  ))
     6 6 0 peak 8642 weight  0.11000E+01 volume 4.73220 ppm1 7.585 ppm2 3.033
ASSI {  8662}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 8662 weight  0.11000E+01 volume 77.60310 ppm1 6.920 ppm2 -0.247
ASSI {  8672}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 8672 weight  0.11000E+01 volume 40.54250 ppm1 7.025 ppm2 -0.247
ASSI {  8682}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HB1  ))
     6 6 0 peak 8682 weight  0.11000E+01 volume 21.28970 ppm1 6.635 ppm2 3.261
ASSI {  8692}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 8692 weight  0.11000E+01 volume 58.45460 ppm1 6.635 ppm2 2.899
ASSI {  8702}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 8702 weight  0.11000E+01 volume 47.26940 ppm1 5.481 ppm2 5.314
ASSI {  8712}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 8712 weight  0.11000E+01 volume 22.97140 ppm1 5.480 ppm2 2.899
ASSI {  8722}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 8722 weight  0.11000E+01 volume 28.02610 ppm1 6.634 ppm2 5.314
ASSI {  8732}
  (( segid "PTBd" and resid 58  and name HB1  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 8732 weight  0.11000E+01 volume 32.75730 ppm1 3.492 ppm2 5.315
ASSI {  8742}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 8742 weight  0.11000E+01 volume 10.42400 ppm1 6.778 ppm2 5.314
ASSI {  8752}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HA  ))
     6 6 0 peak 8752 weight  0.11000E+01 volume 9.14940 ppm1 -0.258 ppm2 4.480
ASSI {  8762}
  (( segid "PTBd" and resid 94  and name HB1  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 8762 weight  0.11000E+01 volume 19.72560 ppm1 1.253 ppm2 3.825
ASSI {  8772}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 8772 weight  0.11000E+01 volume 7.62700 ppm1 -0.591 ppm2 3.825
ASSI {  8782}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HB1  ))
     6 6 0 peak 8782 weight  0.11000E+01 volume 58.58680 ppm1 7.372 ppm2 3.101
ASSI {  8792}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HB2  ))
     6 6 0 peak 8792 weight  0.11000E+01 volume 112.11910 ppm1 7.372 ppm2 2.988
ASSI {  8802}
  (( segid "PTBd" and resid 91  and name HE1  ))
  (( segid "PTBd" and resid 91  and name HB1  ))
     6 6 0 peak 8802 weight  0.11000E+01 volume 13.83160 ppm1 7.112 ppm2 3.101
ASSI {  8812}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 8812 weight  0.11000E+01 volume 84.91520 ppm1 7.372 ppm2 3.825
ASSI {  8822}
  (( segid "PTBd" and resid 91  and name HE1  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 8822 weight  0.11000E+01 volume 43.40540 ppm1 7.112 ppm2 3.825
ASSI {  8832}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 8832 weight  0.11000E+01 volume 38.99190 ppm1 6.776 ppm2 3.824
ASSI {  8842}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 65  and name HB1  ))
     6 6 0 peak 8842 weight  0.11000E+01 volume 50.35210 ppm1 1.807 ppm2 3.123
ASSI {  8852}
  (( segid "PTBd" and resid 60  and name HB2  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 8852 weight  0.11000E+01 volume 25.33860 ppm1 2.942 ppm2 5.566
ASSI {  8862}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 8862 weight  0.11000E+01 volume 37.56780 ppm1 1.809 ppm2 5.566
ASSI {  8872}
  (( segid "PTBd" and resid 60  and name HB1  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 8872 weight  0.11000E+01 volume 17.13410 ppm1 3.634 ppm2 5.566
ASSI {  8882}
  (( segid "PTBd" and resid 60  and name HA  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 8882 weight  0.11000E+01 volume 157.38989 ppm1 5.758 ppm2 5.566
ASSI {  8892}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 8892 weight  0.11000E+01 volume 24.88140 ppm1 7.248 ppm2 5.566
ASSI {  8902}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 65  and name HB1  ))
     6 6 0 peak 8902 weight  0.11000E+01 volume 26.33430 ppm1 7.248 ppm2 3.123
ASSI {  8912}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 65  and name HB2  ))
     6 6 0 peak 8912 weight  0.11000E+01 volume 11.35240 ppm1 7.248 ppm2 2.805
ASSI {  8922}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 65  and name HB2  ))
     6 6 0 peak 8922 weight  0.11000E+01 volume 15.72490 ppm1 7.111 ppm2 2.805
ASSI {  8932}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 8932 weight  0.11000E+01 volume 39.99980 ppm1 7.110 ppm2 5.407
ASSI {  8942}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 8942 weight  0.11000E+01 volume 57.96160 ppm1 4.525 ppm2 5.407
ASSI {  8962}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 8962 weight  0.11000E+01 volume 8.31080 ppm1 2.277 ppm2 5.407
ASSI {  8982}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 8982 weight  0.11000E+01 volume 42.32550 ppm1 0.814 ppm2 5.406
ASSI {  8992}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 8992 weight  0.11000E+01 volume 5.84790 ppm1 0.785 ppm2 5.406
ASSI {  9002}
  (( segid "PTBd" and resid 19  and name HG2#  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 9002 weight  0.11000E+01 volume 12.72000 ppm1 0.638 ppm2 5.407
ASSI {  9012}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 9012 weight  0.11000E+01 volume 148.82179 ppm1 7.111 ppm2 2.853
ASSI {  9022}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 9022 weight  0.11000E+01 volume 174.25540 ppm1 7.111 ppm2 3.036
ASSI {  9032}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 9032 weight  0.11000E+01 volume 48.44170 ppm1 2.277 ppm2 2.854
ASSI {  9042}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 9042 weight  0.11000E+01 volume 17.12940 ppm1 2.277 ppm2 3.035
ASSI {  9052}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 9052 weight  0.11000E+01 volume 17.35120 ppm1 0.786 ppm2 2.854
ASSI {  9062}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 9062 weight  0.11000E+01 volume 30.23540 ppm1 0.786 ppm2 3.035
ASSI {  9072}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 9072 weight  0.11000E+01 volume 11.75490 ppm1 0.619 ppm2 3.035
ASSI {  9082}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 90  and name HG  ))
     6 6 0 peak 9082 weight  0.11000E+01 volume 68.37460 ppm1 2.997 ppm2 -0.202
ASSI {  9092}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HG  ))
     6 6 0 peak 9092 weight  0.11000E+01 volume 1.83350 ppm1 7.027 ppm2 -0.202
ASSI {  9102}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HG  ))
     6 6 0 peak 9102 weight  0.11000E+01 volume 37.45140 ppm1 0.658 ppm2 -0.202
ASSI {  9112}
  (( segid "PTBd" and resid 90  and name HB2  ))
  (( segid "PTBd" and resid 90  and name HG  ))
     6 6 0 peak 9112 weight  0.11000E+01 volume 60.29570 ppm1 0.275 ppm2 -0.202
ASSI {  9122}
  (( segid "PTBd" and resid 56  and name HD1  ))
  (( segid "PTBd" and resid 56  and name HB2  ))
     6 6 0 peak 9122 weight  0.11000E+01 volume 14.54850 ppm1 3.128 ppm2 1.481
ASSI {  9132}
  (( segid "PTBd" and resid 56  and name HD1  ))
  (( segid "PTBd" and resid 56  and name HB1  ))
     6 6 0 peak 9132 weight  0.11000E+01 volume 67.61110 ppm1 3.128 ppm2 1.951
ASSI {  9142}
  (( segid "PTBd" and resid 56  and name HD1  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9142 weight  0.11000E+01 volume 90.36980 ppm1 3.137 ppm2 4.705
ASSI {  9152}
  (( segid "PTBd" and resid 56  and name HB1  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9152 weight  0.11000E+01 volume 74.59170 ppm1 1.941 ppm2 4.705
ASSI {  9162}
  (( segid "PTBd" and resid 56  and name HB2  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9162 weight  0.11000E+01 volume 43.15500 ppm1 1.489 ppm2 4.705
ASSI {  9172}
  (( segid "PTBd" and resid 56  and name HD1  ))
  (( segid "PTBd" and resid 56  and name HG1  ))
     6 6 0 peak 9172 weight  0.11000E+01 volume 298.72159 ppm1 3.127 ppm2 1.699
ASSI {  9182}
  (( segid "PTBd" and resid 56  and name HG1  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9182 weight  0.11000E+01 volume 107.53870 ppm1 1.701 ppm2 4.705
ASSI {  9192}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9192 weight  0.10000E+01 volume 1.70608 ppm1 2.136 ppm2 4.705
ASSI {  9202}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9202 weight  0.10000E+01 volume 0.42343 ppm1 1.004 ppm2 4.705
ASSI {  9212}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 9212 weight  0.10000E+01 volume 1.01029 ppm1 0.847 ppm2 4.705
ASSI {  9222}
  (( segid "PTBd" and resid 71  and name HD1  ))
  (( segid "PTBd" and resid 71  and name HB1  ))
     6 6 0 peak 9222 weight  0.11000E+01 volume 298.21799 ppm1 3.241 ppm2 1.924
ASSI {  9232}
  (( segid "PTBd" and resid 71  and name HD1  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 9232 weight  0.11000E+01 volume 37.72830 ppm1 3.241 ppm2 4.073
ASSI {  9242}
  (( segid "PTBd" and resid 71  and name HB1  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 9242 weight  0.11000E+01 volume 427.45529 ppm1 1.924 ppm2 4.073
ASSI {  9252}
  (( segid "PTBd" and resid 71  and name HA  ))
  (( segid "PTBd" and resid 71  and name HB1  ))
     6 6 0 peak 9252 weight  0.11000E+01 volume 224.15800 ppm1 4.074 ppm2 1.924
ASSI {  9262}
  (( segid "PTBd" and resid 71  and name HG1  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 9262 weight  0.11000E+01 volume 66.62480 ppm1 1.779 ppm2 4.073
ASSI {  9272}
  (( segid "PTBd" and resid 71  and name HG2  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 9272 weight  0.11000E+01 volume 96.20420 ppm1 1.722 ppm2 4.073
ASSI {  9282}
  (( segid "PTBd" and resid 71  and name HA  ))
  (( segid "PTBd" and resid 71  and name HG2  ))
     6 6 0 peak 9282 weight  0.11000E+01 volume 211.48000 ppm1 4.075 ppm2 1.722
ASSI {  9292}
  (( segid "PTBd" and resid 71  and name HA  ))
  (( segid "PTBd" and resid 71  and name HG1  ))
     6 6 0 peak 9292 weight  0.11000E+01 volume 86.04310 ppm1 4.075 ppm2 1.779
ASSI {  9302}
  (( segid "PTBd" and resid 77  and name HG1  ))
  (( segid "PTBd" and resid 71  and name HB1  ))
     6 6 0 peak 9302 weight  0.11000E+01 volume 44.85550 ppm1 2.479 ppm2 1.924
ASSI {  9312}
  (( segid "PTBd" and resid 71  and name HD1  ))
  (( segid "PTBd" and resid 71  and name HG1  ))
     6 6 0 peak 9312 weight  0.11000E+01 volume 211.48000 ppm1 3.241 ppm2 1.779
ASSI {  9322}
  (( segid "PTBd" and resid 71  and name HD1  ))
  (( segid "PTBd" and resid 71  and name HG2  ))
     6 6 0 peak 9322 weight  0.11000E+01 volume 203.69659 ppm1 3.241 ppm2 1.722
ASSI {  9332}
  (( segid "PTBd" and resid 77  and name HG1  ))
  (( segid "PTBd" and resid 71  and name HG1  ))
     6 6 0 peak 9332 weight  0.11000E+01 volume 32.30730 ppm1 2.480 ppm2 1.779
ASSI {  9342}
  (( segid "PTBd" and resid 77  and name HG1  ))
  (( segid "PTBd" and resid 71  and name HG2  ))
     6 6 0 peak 9342 weight  0.11000E+01 volume 20.94000 ppm1 2.480 ppm2 1.722
ASSI {  9352}
  (( segid "PTBd" and resid 71  and name HA  ))
  (( segid "PTBd" and resid 71  and name HD1  ))
     6 6 0 peak 9352 weight  0.11000E+01 volume 96.17840 ppm1 4.075 ppm2 3.237
ASSI {  9362}
  (( segid "PTBd" and resid 72  and name HD1  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 9362 weight  0.11000E+01 volume 53.45730 ppm1 3.177 ppm2 4.524
ASSI {  9372}
  (( segid "PTBd" and resid 72  and name HB1  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 9372 weight  0.11000E+01 volume 99.39400 ppm1 1.873 ppm2 4.524
ASSI {  9382}
  (( segid "PTBd" and resid 72  and name HB2  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 9382 weight  0.11000E+01 volume 40.75440 ppm1 1.783 ppm2 4.524
ASSI {  9392}
  (( segid "PTBd" and resid 72  and name HG1  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 9392 weight  0.11000E+01 volume 142.48759 ppm1 1.656 ppm2 4.524
ASSI {  9402}
  (( segid "PTBd" and resid 72  and name HG2  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 9402 weight  0.11000E+01 volume 67.02490 ppm1 1.560 ppm2 4.524
ASSI {  9412}
  (( segid "PTBd" and resid 72  and name HA  ))
  (( segid "PTBd" and resid 72  and name HB1  ))
     6 6 0 peak 9412 weight  0.11000E+01 volume 16.30570 ppm1 4.524 ppm2 1.884
ASSI {  9422}
  (( segid "PTBd" and resid 72  and name HA  ))
  (( segid "PTBd" and resid 72  and name HB2  ))
     6 6 0 peak 9422 weight  0.11000E+01 volume 53.46230 ppm1 4.524 ppm2 1.784
ASSI {  9432}
  (( segid "PTBd" and resid 72  and name HD1  ))
  (( segid "PTBd" and resid 72  and name HB2  ))
     6 6 0 peak 9432 weight  0.11000E+01 volume 60.68780 ppm1 3.177 ppm2 1.784
ASSI {  9442}
  (( segid "PTBd" and resid 72  and name HD1  ))
  (( segid "PTBd" and resid 72  and name HB1  ))
     6 6 0 peak 9442 weight  0.11000E+01 volume 45.54180 ppm1 3.177 ppm2 1.884
ASSI {  9452}
  (( segid "PTBd" and resid 72  and name HA  ))
  (( segid "PTBd" and resid 72  and name HG2  ))
     6 6 0 peak 9452 weight  0.11000E+01 volume 153.37280 ppm1 4.524 ppm2 1.562
ASSI {  9462}
  (( segid "PTBd" and resid 72  and name HA  ))
  (( segid "PTBd" and resid 72  and name HG1  ))
     6 6 0 peak 9462 weight  0.11000E+01 volume 122.27140 ppm1 4.524 ppm2 1.666
ASSI {  9472}
  (( segid "PTBd" and resid 72  and name HD1  ))
  (( segid "PTBd" and resid 72  and name HG2  ))
     6 6 0 peak 9472 weight  0.11000E+01 volume 382.12579 ppm1 3.177 ppm2 1.562
ASSI {  9482}
  (( segid "PTBd" and resid 72  and name HD1  ))
  (( segid "PTBd" and resid 72  and name HG1  ))
     6 6 0 peak 9482 weight  0.11000E+01 volume 231.96840 ppm1 3.177 ppm2 1.666
ASSI {  9492}
  (( segid "PTBd" and resid 72  and name HA  ))
  (( segid "PTBd" and resid 72  and name HD1  ))
     6 6 0 peak 9492 weight  0.11000E+01 volume 114.86550 ppm1 4.524 ppm2 3.166
ASSI {  9502}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 86  and name HD1  ))
     6 6 0 peak 9502 weight  0.11000E+01 volume 18.83010 ppm1 4.981 ppm2 3.415
ASSI {  9512}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 86  and name HD2  ))
     6 6 0 peak 9512 weight  0.11000E+01 volume 8.78130 ppm1 4.982 ppm2 3.234
ASSI {  9522}
  (( segid "PTBd" and resid 86  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9522 weight  0.11000E+01 volume 11.79840 ppm1 3.431 ppm2 4.977
ASSI {  9532}
  (( segid "PTBd" and resid 86  and name HD2  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9532 weight  0.11000E+01 volume 10.22370 ppm1 3.234 ppm2 4.977
ASSI {  9542}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HB2  ))
     6 6 0 peak 9542 weight  0.11000E+01 volume 10.40360 ppm1 6.922 ppm2 1.654
ASSI {  9552}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 9552 weight  0.11000E+01 volume 6.40430 ppm1 6.922 ppm2 2.763
ASSI {  9562}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 86  and name HB2  ))
     6 6 0 peak 9562 weight  0.11000E+01 volume 17.66250 ppm1 4.982 ppm2 1.654
ASSI {  9572}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 9572 weight  0.11000E+01 volume 57.85020 ppm1 4.982 ppm2 2.762
ASSI {  9582}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9582 weight  0.11000E+01 volume 23.45770 ppm1 2.747 ppm2 4.977
ASSI {  9592}
  (( segid "PTBd" and resid 86  and name HB2  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9592 weight  0.11000E+01 volume 32.02910 ppm1 1.656 ppm2 4.977
ASSI {  9602}
  (( segid "PTBd" and resid 86  and name HD2  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9602 weight  0.11000E+01 volume 216.97430 ppm1 3.252 ppm2 1.764
ASSI {  9612}
  (( segid "PTBd" and resid 86  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9612 weight  0.11000E+01 volume 72.55150 ppm1 3.429 ppm2 1.764
ASSI {  9622}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9622 weight  0.11000E+01 volume 127.75320 ppm1 4.983 ppm2 1.764
ASSI {  9632}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 9632 weight  0.11000E+01 volume 55.28410 ppm1 2.248 ppm2 2.762
ASSI {  9652}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9652 weight  0.11000E+01 volume 82.80440 ppm1 2.747 ppm2 1.764
ASSI {  9662}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9662 weight  0.11000E+01 volume 11.29710 ppm1 6.922 ppm2 1.765
ASSI {  9672}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 9672 weight  0.11000E+01 volume 5.65040 ppm1 7.025 ppm2 1.765
ASSI {  9682}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 86  and name HB2  ))
     6 6 0 peak 9682 weight  0.11000E+01 volume 4.40380 ppm1 7.025 ppm2 1.654
ASSI {  9692}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 9692 weight  0.11000E+01 volume 8.79140 ppm1 7.025 ppm2 2.763
ASSI {  9702}
  (( segid "PTBd" and resid 86  and name HG1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9702 weight  0.11000E+01 volume 105.47860 ppm1 1.764 ppm2 4.977
ASSI {  9712}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9712 weight  0.11000E+01 volume 20.81850 ppm1 2.248 ppm2 4.977
ASSI {  9722}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9722 weight  0.11000E+01 volume 7.93240 ppm1 6.922 ppm2 4.977
ASSI {  9732}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 9732 weight  0.11000E+01 volume 22.13940 ppm1 7.025 ppm2 4.977
ASSI {  9742}
  (( segid "PTBd" and resid 113  and name HD1  ))
  (( segid "PTBd" and resid 113  and name HB2  ))
     6 6 0 peak 9742 weight  0.11000E+01 volume 188.29980 ppm1 3.135 ppm2 1.701
ASSI {  9752}
  (( segid "PTBd" and resid 113  and name HD1  ))
  (( segid "PTBd" and resid 113  and name HB1  ))
     6 6 0 peak 9752 weight  0.11000E+01 volume 21.23380 ppm1 3.135 ppm2 1.793
ASSI {  9762}
  (( segid "PTBd" and resid 113  and name HA  ))
  (( segid "PTBd" and resid 113  and name HB2  ))
     6 6 0 peak 9762 weight  0.11000E+01 volume 23.30020 ppm1 4.280 ppm2 1.699
ASSI {  9772}
  (( segid "PTBd" and resid 113  and name HA  ))
  (( segid "PTBd" and resid 113  and name HB1  ))
     6 6 0 peak 9772 weight  0.11000E+01 volume 106.22920 ppm1 4.280 ppm2 1.793
ASSI {  9782}
  (( segid "PTBd" and resid 113  and name HD1  ))
  (( segid "PTBd" and resid 113  and name HA  ))
     6 6 0 peak 9782 weight  0.11000E+01 volume 29.24160 ppm1 3.135 ppm2 4.298
ASSI {  9792}
  (( segid "PTBd" and resid 113  and name HB1  ))
  (( segid "PTBd" and resid 113  and name HA  ))
     6 6 0 peak 9792 weight  0.11000E+01 volume 169.67000 ppm1 1.793 ppm2 4.298
ASSI {  9802}
  (( segid "PTBd" and resid 113  and name HB2  ))
  (( segid "PTBd" and resid 113  and name HA  ))
     6 6 0 peak 9802 weight  0.11000E+01 volume 159.19290 ppm1 1.701 ppm2 4.298
ASSI {  9812}
  (( segid "PTBd" and resid 113  and name HG1  ))
  (( segid "PTBd" and resid 113  and name HA  ))
     6 6 0 peak 9812 weight  0.11000E+01 volume 244.88000 ppm1 1.591 ppm2 4.298
ASSI {  9822}
  (( segid "PTBd" and resid 113  and name HA  ))
  (( segid "PTBd" and resid 113  and name HG1  ))
     6 6 0 peak 9822 weight  0.11000E+01 volume 131.51740 ppm1 4.298 ppm2 1.591
ASSI {  9832}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 86  and name HD2  ))
     6 6 0 peak 9832 weight  0.11000E+01 volume 12.88720 ppm1 6.921 ppm2 3.235
ASSI {  9842}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HD1  ))
     6 6 0 peak 9842 weight  0.11000E+01 volume 22.11190 ppm1 2.747 ppm2 3.416
ASSI {  9852}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 86  and name HD2  ))
     6 6 0 peak 9852 weight  0.11000E+01 volume 22.24950 ppm1 2.747 ppm2 3.235
ASSI {  9862}
  (( segid "PTBd" and resid 86  and name HB2  ))
  (( segid "PTBd" and resid 86  and name HD1  ))
     6 6 0 peak 9862 weight  0.11000E+01 volume 114.22580 ppm1 1.656 ppm2 3.416
ASSI {  9872}
  (( segid "PTBd" and resid 86  and name HG1  ))
  (( segid "PTBd" and resid 86  and name HD1  ))
     6 6 0 peak 9872 weight  0.11000E+01 volume 168.13960 ppm1 1.764 ppm2 3.416
ASSI {  9882}
  (( segid "PTBd" and resid 86  and name HG1  ))
  (( segid "PTBd" and resid 86  and name HD2  ))
     6 6 0 peak 9882 weight  0.11000E+01 volume 406.95920 ppm1 1.764 ppm2 3.235
ASSI {  9892}
  (( segid "PTBd" and resid 86  and name HB2  ))
  (( segid "PTBd" and resid 86  and name HD2  ))
     6 6 0 peak 9892 weight  0.11000E+01 volume 131.80920 ppm1 1.656 ppm2 3.235
ASSI {  9902}
  (( segid "PTBd" and resid 113  and name HA  ))
  (( segid "PTBd" and resid 113  and name HD1  ))
     6 6 0 peak 9902 weight  0.11000E+01 volume 71.25920 ppm1 4.298 ppm2 3.135
ASSI {  9912}
  (( segid "PTBd" and resid 45  and name HD1  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 9912 weight  0.11000E+01 volume 18.92420 ppm1 3.180 ppm2 1.971
ASSI {  9922}
  (( segid "PTBd" and resid 45  and name HG1  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 9922 weight  0.11000E+01 volume 219.84200 ppm1 1.570 ppm2 1.971
ASSI {  9932}
  (( segid "PTBd" and resid 45  and name HA  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 9932 weight  0.11000E+01 volume 72.71050 ppm1 4.340 ppm2 1.971
ASSI {  9942}
  (( segid "PTBd" and resid 45  and name HA  ))
  (( segid "PTBd" and resid 45  and name HG1  ))
     6 6 0 peak 9942 weight  0.11000E+01 volume 66.41230 ppm1 4.341 ppm2 1.569
ASSI {  9952}
  (( segid "PTBd" and resid 45  and name HD1  ))
  (( segid "PTBd" and resid 45  and name HG1  ))
     6 6 0 peak 9952 weight  0.11000E+01 volume 422.02390 ppm1 3.180 ppm2 1.569
ASSI {  9962}
  (( segid "PTBd" and resid 45  and name HA  ))
  (( segid "PTBd" and resid 45  and name HD1  ))
     6 6 0 peak 9962 weight  0.11000E+01 volume 87.65030 ppm1 4.341 ppm2 3.180
ASSI {  9972}
  (( segid "PTBd" and resid 45  and name HD1  ))
  (( segid "PTBd" and resid 45  and name HB2  ))
     6 6 0 peak 9972 weight  0.11000E+01 volume 42.12970 ppm1 3.180 ppm2 1.897
ASSI {  9982}
  (( segid "PTBd" and resid 45  and name HB1  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 9982 weight  0.11000E+01 volume 126.44070 ppm1 1.970 ppm2 4.341
ASSI {  9992}
  (( segid "PTBd" and resid 45  and name HD1  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 9992 weight  0.11000E+01 volume 57.56790 ppm1 3.180 ppm2 4.341
ASSI { 10002}
  (( segid "PTBd" and resid 45  and name HB2  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 10002 weight  0.11000E+01 volume 71.35860 ppm1 1.880 ppm2 4.341
ASSI { 10012}
  (( segid "PTBd" and resid 45  and name HG1  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 10012 weight  0.11000E+01 volume 155.61140 ppm1 1.569 ppm2 4.341
ASSI { 10022}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 93  and name HG1  ))
     6 6 0 peak 10022 weight  0.11000E+01 volume 53.53010 ppm1 4.103 ppm2 2.649
ASSI { 10032}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 93  and name HG2  ))
     6 6 0 peak 10032 weight  0.11000E+01 volume 131.23860 ppm1 4.103 ppm2 2.470
ASSI { 10042}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 93  and name HG1  ))
     6 6 0 peak 10042 weight  0.11000E+01 volume 145.64259 ppm1 2.088 ppm2 2.649
ASSI { 10052}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 93  and name HG2  ))
     6 6 0 peak 10052 weight  0.11000E+01 volume 168.08470 ppm1 2.088 ppm2 2.470
ASSI { 10062}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10062 weight  0.11000E+01 volume 50.86590 ppm1 4.103 ppm2 2.084
ASSI { 10072}
  (( segid "PTBd" and resid 93  and name HG1  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10072 weight  0.11000E+01 volume 192.76961 ppm1 2.661 ppm2 2.084
ASSI { 10082}
  (( segid "PTBd" and resid 93  and name HG2  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10082 weight  0.11000E+01 volume 81.20390 ppm1 2.482 ppm2 2.084
ASSI { 10092}
  (( segid "PTBd" and resid 93  and name HG1  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 10092 weight  0.11000E+01 volume 120.94960 ppm1 2.658 ppm2 4.117
ASSI { 10102}
  (( segid "PTBd" and resid 93  and name HG2  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 10102 weight  0.11000E+01 volume 85.68910 ppm1 2.484 ppm2 4.117
ASSI { 10112}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 93  and name HB1  ))
     6 6 0 peak 10112 weight  0.11000E+01 volume 56.75720 ppm1 4.103 ppm2 2.197
ASSI { 10122}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 93  and name HB2  ))
     6 6 0 peak 10122 weight  0.11000E+01 volume 338.51880 ppm1 4.103 ppm2 1.973
ASSI { 10132}
  (( segid "PTBd" and resid 93  and name HB2  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 10132 weight  0.11000E+01 volume 191.13870 ppm1 1.973 ppm2 4.118
ASSI { 10142}
  (( segid "PTBd" and resid 93  and name HB1  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 10142 weight  0.11000E+01 volume 213.23511 ppm1 2.197 ppm2 4.118
ASSI { 10152}
  (( segid "PTBd" and resid 93  and name HB1  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10152 weight  0.11000E+01 volume 121.70660 ppm1 2.197 ppm2 2.084
ASSI { 10162}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10162 weight  0.11000E+01 volume 165.93340 ppm1 0.669 ppm2 2.084
ASSI { 10232}
  (( segid "PTBd" and resid 12  and name HB1  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10232 weight  0.11000E+01 volume 93.97110 ppm1 3.275 ppm2 2.084
ASSI { 10262}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10262 weight  0.11000E+01 volume 16.40430 ppm1 2.997 ppm2 2.084
ASSI { 10282}
  (( segid "PTBd" and resid 89  and name HA  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 10282 weight  0.11000E+01 volume 26.19530 ppm1 3.965 ppm2 2.084
ASSI { 10292}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10292 weight  0.11000E+01 volume 83.58900 ppm1 7.069 ppm2 2.084
ASSI { 10302}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10302 weight  0.11000E+01 volume 16.91880 ppm1 6.917 ppm2 2.084
ASSI { 10312}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 10312 weight  0.11000E+01 volume 117.40160 ppm1 7.025 ppm2 2.084
ASSI { 10322}
  (( segid "PTBd" and resid 31  and name HB2  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 10322 weight  0.11000E+01 volume 38.15730 ppm1 1.544 ppm2 5.630
ASSI { 10332}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 10332 weight  0.11000E+01 volume 42.36980 ppm1 3.881 ppm2 2.653
ASSI { 10342}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 10342 weight  0.11000E+01 volume 8.26250 ppm1 6.181 ppm2 2.652
ASSI { 10352}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 10352 weight  0.11000E+01 volume 50.04370 ppm1 1.864 ppm2 2.652
ASSI { 10362}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10362 weight  0.11000E+01 volume 96.42450 ppm1 2.644 ppm2 1.858
ASSI { 10372}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10372 weight  0.11000E+01 volume 32.79190 ppm1 3.881 ppm2 1.858
ASSI { 10382}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10382 weight  0.11000E+01 volume 90.40300 ppm1 6.177 ppm2 1.858
ASSI { 10392}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10392 weight  0.11000E+01 volume 127.54000 ppm1 2.651 ppm2 3.892
ASSI { 10402}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 10402 weight  0.11000E+01 volume 30.05020 ppm1 6.176 ppm2 3.913
ASSI { 10412}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 98  and name HG2  ))
     6 6 0 peak 10412 weight  0.11000E+01 volume 57.11160 ppm1 3.881 ppm2 2.219
ASSI { 10422}
  (( segid "PTBd" and resid 98  and name HG2  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10422 weight  0.11000E+01 volume 64.94160 ppm1 2.202 ppm2 1.858
ASSI { 10432}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 98  and name HG2  ))
     6 6 0 peak 10432 weight  0.11000E+01 volume 289.28741 ppm1 1.864 ppm2 2.220
ASSI { 10442}
  (( segid "PTBd" and resid 103  and name HB  ))
  (( segid "PTBd" and resid 98  and name HG2  ))
     6 6 0 peak 10442 weight  0.11000E+01 volume 6.00130 ppm1 1.721 ppm2 2.219
ASSI { 10452}
  (( segid "PTBd" and resid 103  and name HB  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 10452 weight  0.11000E+01 volume 9.79270 ppm1 1.721 ppm2 2.653
ASSI { 10462}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 10462 weight  0.11000E+01 volume 9.97360 ppm1 0.215 ppm2 2.652
ASSI { 10472}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 98  and name HG2  ))
     6 6 0 peak 10472 weight  0.11000E+01 volume 16.13300 ppm1 0.215 ppm2 2.220
ASSI { 10502}
  (( segid "PTBd" and resid 98  and name HG2  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10502 weight  0.11000E+01 volume 245.12801 ppm1 2.221 ppm2 3.892
ASSI { 10512}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10512 weight  0.11000E+01 volume 41.44720 ppm1 1.865 ppm2 3.892
ASSI { 10532}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 10532 weight  0.11000E+01 volume 50.37830 ppm1 3.881 ppm2 2.061
ASSI { 10542}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 10542 weight  0.11000E+01 volume 180.06709 ppm1 3.881 ppm2 1.902
ASSI { 10552}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 10552 weight  0.11000E+01 volume 50.53010 ppm1 2.642 ppm2 2.061
ASSI { 10562}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 10562 weight  0.11000E+01 volume 120.30060 ppm1 2.641 ppm2 1.902
ASSI { 10572}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10572 weight  0.11000E+01 volume 51.27080 ppm1 2.136 ppm2 1.858
ASSI { 10582}
  (( segid "PTBd" and resid 98  and name HB2  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10582 weight  0.11000E+01 volume 212.78169 ppm1 1.901 ppm2 3.892
ASSI { 10592}
  (( segid "PTBd" and resid 98  and name HB1  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10592 weight  0.11000E+01 volume 291.65781 ppm1 2.061 ppm2 3.892
ASSI { 10622}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 10622 weight  0.11000E+01 volume 46.01790 ppm1 0.860 ppm2 3.892
ASSI { 10642}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 10642 weight  0.11000E+01 volume 345.572 ppm1 0.908 ppm2 2.061
ASSI { 10652}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 10652 weight  0.11000E+01 volume 9.8637 ppm1 0.908 ppm2 1.901
ASSI { 10662}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 10662 weight  0.11000E+01 volume 18.3211 ppm1 0.854 ppm2 1.901
ASSI { 10672}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 10672 weight  0.11000E+01 volume 16.2987 ppm1 0.854 ppm2 2.061
ASSI { 10682}
  (( segid "FGFR" and resid 221  and name HA  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10682 weight  0.11000E+01 volume 20.70040 ppm1 4.181 ppm2 1.858
ASSI { 10692}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10692 weight  0.11000E+01 volume 35.26420 ppm1 4.298 ppm2 1.858
ASSI { 10712}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10712 weight  0.11000E+01 volume 4.88815 ppm1 3.015 ppm2 1.858
ASSI { 10722}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10722 weight  0.11000E+01 volume 20.47400 ppm1 6.406 ppm2 1.858
ASSI { 10732}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10732 weight  0.11000E+01 volume 70.08980 ppm1 6.646 ppm2 1.858
ASSI { 10742}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10742 weight  0.11000E+01 volume 73.20910 ppm1 6.769 ppm2 1.858
ASSI { 10782}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10782 weight  0.11000E+01 volume 51.32730 ppm1 0.617 ppm2 1.858
ASSI { 10792}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10792 weight  0.11000E+01 volume 247.46840 ppm1 0.752 ppm2 1.858
ASSI { 10802}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10802 weight  0.11000E+01 volume 121.549 ppm1 0.850 ppm2 1.858
ASSI { 10812}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10812 weight  0.11000E+01 volume 46.2055 ppm1 1.003 ppm2 1.858
ASSI { 10822}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10822 weight  0.11000E+01 volume 192.96910 ppm1 0.912 ppm2 1.858
ASSI { 10832}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10832 weight  0.11000E+01 volume 86.17010 ppm1 0.217 ppm2 1.858
ASSI { 10842}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 10842 weight  0.11000E+01 volume 43.67780 ppm1 -0.047 ppm2 1.858
ASSI { 10852}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 10852 weight  0.11000E+01 volume 48.29620 ppm1 3.981 ppm2 0.885
ASSI { 10862}
  (( segid "FGFR" and resid 222  and name HB1  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 10862 weight  0.11000E+01 volume 71.92300 ppm1 3.769 ppm2 0.885
ASSI { 10872}
  (( segid "PTBd" and resid 106  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 10872 weight  0.11000E+01 volume 422.47461 ppm1 4.352 ppm2 0.885
ASSI { 10882}
  (( segid "PTBd" and resid 106  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 10882 weight  0.11000E+01 volume 430.34241 ppm1 4.352 ppm2 0.864
ASSI { 10892}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 10892 weight  0.11000E+01 volume 83.74070 ppm1 3.980 ppm2 0.864
ASSI { 10902}
  (( segid "FGFR" and resid 222  and name HB1  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 10902 weight  0.11000E+01 volume 65.61060 ppm1 3.769 ppm2 0.864
ASSI { 10912}
  (( segid "PTBd" and resid 120  and name HD1#  ))
  (( segid "PTBd" and resid 120  and name HA  ))
     6 6 0 peak 10912 weight  0.11000E+01 volume 25.60000 ppm1 0.887 ppm2 4.298
ASSI { 10922}
  (( segid "PTBd" and resid 120  and name HD2#  ))
  (( segid "PTBd" and resid 120  and name HA  ))
     6 6 0 peak 10922 weight  0.11000E+01 volume 53.97110 ppm1 0.833 ppm2 4.298
ASSI { 10932}
  (( segid "PTBd" and resid 53  and name HB1  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 10932 weight  0.11000E+01 volume 409.96591 ppm1 1.820 ppm2 0.910
ASSI { 10942}
  (( segid "PTBd" and resid 53  and name HB2  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 10942 weight  0.11000E+01 volume 366.58691 ppm1 1.662 ppm2 0.910
ASSI { 10952}
  (( segid "PTBd" and resid 53  and name HB1  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 10952 weight  0.11000E+01 volume 208.04810 ppm1 1.821 ppm2 0.930
ASSI { 10962}
  (( segid "PTBd" and resid 53  and name HB2  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 10962 weight  0.11000E+01 volume 122.33710 ppm1 1.662 ppm2 0.930
ASSI { 10972}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 10972 weight  0.11000E+01 volume 37.7032 ppm1 4.305 ppm2 0.931
ASSI { 10982}
  (( segid "PTBd" and resid 53  and name HD1#  ))
  (( segid "PTBd" and resid 53  and name HA  ))
     6 6 0 peak 10982 weight  0.11000E+01 volume 130.63600 ppm1 0.927 ppm2 4.301
ASSI { 10992}
  (( segid "PTBd" and resid 53  and name HB2  ))
  (( segid "PTBd" and resid 53  and name HA  ))
     6 6 0 peak 10992 weight  0.11000E+01 volume 23.74420 ppm1 1.658 ppm2 4.300
ASSI { 11002}
  (( segid "PTBd" and resid 53  and name HB1  ))
  (( segid "PTBd" and resid 53  and name HA  ))
     6 6 0 peak 11002 weight  0.11000E+01 volume 43.13890 ppm1 1.812 ppm2 4.300
ASSI { 11012}
  (( segid "PTBd" and resid 53  and name HG  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 11012 weight  0.11000E+01 volume 108.02440 ppm1 1.571 ppm2 0.930
ASSI { 11022}
  (( segid "PTBd" and resid 120  and name HG  ))
  (( segid "PTBd" and resid 120  and name HD1#  ))
     6 6 0 peak 11022 weight  0.11000E+01 volume 112.61430 ppm1 1.587 ppm2 0.906
ASSI { 11032}
  (( segid "PTBd" and resid 120  and name HB1  ))
  (( segid "PTBd" and resid 120  and name HA  ))
     6 6 0 peak 11032 weight  0.11000E+01 volume 17.71430 ppm1 1.596 ppm2 4.298
ASSI { 11042}
  (( segid "PTBd" and resid 120  and name HB2  ))
  (( segid "PTBd" and resid 120  and name HA  ))
     6 6 0 peak 11042 weight  0.11000E+01 volume 31.76740 ppm1 1.574 ppm2 4.298
ASSI { 11052}
  (( segid "PTBd" and resid 120  and name HA  ))
  (( segid "PTBd" and resid 120  and name HB2  ))
     6 6 0 peak 11052 weight  0.11000E+01 volume 26.59000 ppm1 4.298 ppm2 1.574
ASSI { 11062}
  (( segid "PTBd" and resid 120  and name HA  ))
  (( segid "PTBd" and resid 120  and name HG  ))
     6 6 0 peak 11062 weight  0.11000E+01 volume 100.33590 ppm1 4.298 ppm2 1.587
ASSI { 11072}
  (( segid "PTBd" and resid 120  and name HB2  ))
  (( segid "PTBd" and resid 120  and name HD2#  ))
     6 6 0 peak 11072 weight  0.11000E+01 volume 95.09430 ppm1 1.574 ppm2 0.841
ASSI { 11082}
  (( segid "PTBd" and resid 109  and name HA  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 11082 weight  0.11000E+01 volume 44.48330 ppm1 4.455 ppm2 4.071
ASSI { 11092}
  (( segid "PTBd" and resid 112  and name HG1  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 11092 weight  0.11000E+01 volume 13.18110 ppm1 2.193 ppm2 4.073
ASSI { 11102}
  (( segid "PTBd" and resid 111  and name HB  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 11102 weight  0.11000E+01 volume 309.03299 ppm1 1.993 ppm2 4.072
ASSI { 11112}
  (( segid "PTBd" and resid 111  and name HG1#  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 11112 weight  0.11000E+01 volume 557.19513 ppm1 0.862 ppm2 4.071
ASSI { 11122}
  (( segid "PTBd" and resid 111  and name HG1#  ))
  (( segid "PTBd" and resid 111  and name HB  ))
     6 6 0 peak 11122 weight  0.11000E+01 volume 512.92242 ppm1 0.861 ppm2 1.995
ASSI { 11132}
  (( segid "PTBd" and resid 111  and name HA  ))
  (( segid "PTBd" and resid 111  and name HB  ))
     6 6 0 peak 11132 weight  0.11000E+01 volume 292.81030 ppm1 4.072 ppm2 1.995
ASSI { 11142}
  (( segid "PTBd" and resid 111  and name HA  ))
  (( segid "PTBd" and resid 111  and name HG1#  ))
     6 6 0 peak 11142 weight  0.11000E+01 volume 268.07379 ppm1 4.072 ppm2 0.865
ASSI { 11152}
  (( segid "PTBd" and resid 111  and name HB  ))
  (( segid "PTBd" and resid 111  and name HG1#  ))
     6 6 0 peak 11152 weight  0.11000E+01 volume 557.70282 ppm1 1.995 ppm2 0.865
ASSI { 11162}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 109  and name HA  ))
     6 6 0 peak 11162 weight  0.11000E+01 volume 18.27160 ppm1 3.813 ppm2 4.457
ASSI { 11172}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 109  and name HA  ))
     6 6 0 peak 11172 weight  0.11000E+01 volume 5.60570 ppm1 3.688 ppm2 4.457
ASSI { 11182}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 109  and name HB1  ))
     6 6 0 peak 11182 weight  0.11000E+01 volume 37.48170 ppm1 3.812 ppm2 2.261
ASSI { 11192}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 109  and name HB1  ))
     6 6 0 peak 11192 weight  0.11000E+01 volume 18.04820 ppm1 3.688 ppm2 2.261
ASSI { 11202}
  (( segid "PTBd" and resid 109  and name HD1  ))
  (( segid "PTBd" and resid 109  and name HB2  ))
     6 6 0 peak 11202 weight  0.11000E+01 volume 89.39200 ppm1 3.812 ppm2 1.838
ASSI { 11212}
  (( segid "PTBd" and resid 109  and name HD2  ))
  (( segid "PTBd" and resid 109  and name HB2  ))
     6 6 0 peak 11212 weight  0.11000E+01 volume 47.21430 ppm1 3.689 ppm2 1.838
ASSI { 11222}
  (( segid "PTBd" and resid 109  and name HA  ))
  (( segid "PTBd" and resid 109  and name HD1  ))
     6 6 0 peak 11222 weight  0.11000E+01 volume 16.30210 ppm1 4.457 ppm2 3.823
ASSI { 11232}
  (( segid "PTBd" and resid 109  and name HA  ))
  (( segid "PTBd" and resid 109  and name HD2  ))
     6 6 0 peak 11232 weight  0.11000E+01 volume 53.03850 ppm1 4.457 ppm2 3.687
ASSI { 11242}
  (( segid "PTBd" and resid 108  and name HA  ))
  (( segid "PTBd" and resid 109  and name HD2  ))
     6 6 0 peak 11242 weight  0.11000E+01 volume 175.34320 ppm1 4.669 ppm2 3.687
ASSI { 11252}
  (( segid "PTBd" and resid 108  and name HA  ))
  (( segid "PTBd" and resid 109  and name HD1  ))
     6 6 0 peak 11252 weight  0.11000E+01 volume 39.83240 ppm1 4.669 ppm2 3.823
ASSI { 11262}
  (( segid "PTBd" and resid 109  and name HB1  ))
  (( segid "PTBd" and resid 109  and name HD1  ))
     6 6 0 peak 11262 weight  0.11000E+01 volume 104.40980 ppm1 2.262 ppm2 3.823
ASSI { 11272}
  (( segid "PTBd" and resid 109  and name HB1  ))
  (( segid "PTBd" and resid 109  and name HD2  ))
     6 6 0 peak 11272 weight  0.11000E+01 volume 110.05650 ppm1 2.262 ppm2 3.687
ASSI { 11282}
  (( segid "PTBd" and resid 108  and name HG1  ))
  (( segid "PTBd" and resid 109  and name HD2  ))
     6 6 0 peak 11282 weight  0.11000E+01 volume 32.11980 ppm1 2.193 ppm2 3.687
ASSI { 11292}
  (( segid "PTBd" and resid 108  and name HG1  ))
  (( segid "PTBd" and resid 109  and name HD1  ))
     6 6 0 peak 11292 weight  0.11000E+01 volume 47.48760 ppm1 2.193 ppm2 3.823
ASSI { 11302}
  (( segid "PTBd" and resid 109  and name HA  ))
  (( segid "PTBd" and resid 109  and name HG1  ))
     6 6 0 peak 11302 weight  0.11000E+01 volume 165.20551 ppm1 4.459 ppm2 1.995
ASSI { 11312}
  (( segid "PTBd" and resid 109  and name HG1  ))
  (( segid "PTBd" and resid 109  and name HA  ))
     6 6 0 peak 11312 weight  0.11000E+01 volume 46.45480 ppm1 1.995 ppm2 4.457
ASSI { 11322}
  (( segid "PTBd" and resid 110  and name HG1#  ))
  (( segid "PTBd" and resid 110  and name HB  ))
     6 6 0 peak 11322 weight  0.11000E+01 volume 319.31290 ppm1 0.915 ppm2 2.015
ASSI { 11332}
  (( segid "PTBd" and resid 110  and name HA  ))
  (( segid "PTBd" and resid 110  and name HB  ))
     6 6 0 peak 11332 weight  0.11000E+01 volume 189.96449 ppm1 4.050 ppm2 2.015
ASSI { 11342}
  (( segid "PTBd" and resid 110  and name HA  ))
  (( segid "PTBd" and resid 110  and name HG1#  ))
     6 6 0 peak 11342 weight  0.11000E+01 volume 1001.02332 ppm1 4.059 ppm2 0.915
ASSI { 11352}
  (( segid "PTBd" and resid 110  and name HB  ))
  (( segid "PTBd" and resid 110  and name HG1#  ))
     6 6 0 peak 11352 weight  0.11000E+01 volume 625.84991 ppm1 2.004 ppm2 0.915
ASSI { 11362}
  (( segid "PTBd" and resid 110  and name HG1#  ))
  (( segid "PTBd" and resid 109  and name HA  ))
     6 6 0 peak 11362 weight  0.11000E+01 volume 8.88830 ppm1 0.915 ppm2 4.456
ASSI { 11372}
  (( segid "PTBd" and resid 6  and name HG1#  ))
  (( segid "PTBd" and resid 6  and name HA  ))
     6 6 0 peak 11372 weight  0.11000E+01 volume 265.74451 ppm1 0.875 ppm2 4.391
ASSI { 11382}
  (( segid "PTBd" and resid 6  and name HB  ))
  (( segid "PTBd" and resid 6  and name HA  ))
     6 6 0 peak 11382 weight  0.11000E+01 volume 29.32510 ppm1 2.019 ppm2 4.391
ASSI { 11392}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 6  and name HA  ))
     6 6 0 peak 11392 weight  0.11000E+01 volume 602.07318 ppm1 3.838 ppm2 4.391
ASSI { 11402}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 6  and name HA  ))
     6 6 0 peak 11402 weight  0.11000E+01 volume 247.36501 ppm1 3.625 ppm2 4.390
ASSI { 11412}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 7  and name HA  ))
     6 6 0 peak 11412 weight  0.11000E+01 volume 20.56140 ppm1 3.837 ppm2 4.367
ASSI { 11422}
  (( segid "PTBd" and resid 6  and name HA  ))
  (( segid "PTBd" and resid 7  and name HD1  ))
     6 6 0 peak 11422 weight  0.11000E+01 volume 570.16351 ppm1 4.381 ppm2 3.845
ASSI { 11432}
  (( segid "PTBd" and resid 6  and name HA  ))
  (( segid "PTBd" and resid 7  and name HD2  ))
     6 6 0 peak 11432 weight  0.11000E+01 volume 152.41750 ppm1 4.381 ppm2 3.616
ASSI { 11442}
  (( segid "PTBd" and resid 7  and name HB1  ))
  (( segid "PTBd" and resid 7  and name HD1  ))
     6 6 0 peak 11442 weight  0.11000E+01 volume 32.66800 ppm1 2.257 ppm2 3.844
ASSI { 11452}
  (( segid "PTBd" and resid 7  and name HB1  ))
  (( segid "PTBd" and resid 7  and name HD2  ))
     6 6 0 peak 11452 weight  0.11000E+01 volume 18.48740 ppm1 2.256 ppm2 3.616
ASSI { 11462}
  (( segid "PTBd" and resid 7  and name HA  ))
  (( segid "PTBd" and resid 7  and name HG1  ))
     6 6 0 peak 11462 weight  0.11000E+01 volume 213.05240 ppm1 4.382 ppm2 1.955
ASSI { 11472}
  (( segid "PTBd" and resid 7  and name HG1  ))
  (( segid "PTBd" and resid 7  and name HA  ))
     6 6 0 peak 11472 weight  0.11000E+01 volume 95.02680 ppm1 1.955 ppm2 4.368
ASSI { 11482}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 7  and name HB2  ))
     6 6 0 peak 11482 weight  0.11000E+01 volume 49.88440 ppm1 3.838 ppm2 1.858
ASSI { 11492}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 7  and name HB1  ))
     6 6 0 peak 11492 weight  0.11000E+01 volume 54.06690 ppm1 3.838 ppm2 2.261
ASSI { 11502}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 7  and name HB2  ))
     6 6 0 peak 11502 weight  0.11000E+01 volume 38.73720 ppm1 3.623 ppm2 1.858
ASSI { 11512}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 7  and name HB1  ))
     6 6 0 peak 11512 weight  0.11000E+01 volume 25.74640 ppm1 3.623 ppm2 2.261
ASSI { 11522}
  (( segid "PTBd" and resid 6  and name HA  ))
  (( segid "PTBd" and resid 6  and name HB  ))
     6 6 0 peak 11522 weight  0.11000E+01 volume 179.74040 ppm1 4.381 ppm2 2.016
ASSI { 11532}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 6  and name HB  ))
     6 6 0 peak 11532 weight  0.11000E+01 volume 20.67320 ppm1 3.623 ppm2 2.015
ASSI { 11542}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 6  and name HB  ))
     6 6 0 peak 11542 weight  0.11000E+01 volume 40.23320 ppm1 3.838 ppm2 2.015
ASSI { 11552}
  (( segid "PTBd" and resid 6  and name HG1#  ))
  (( segid "PTBd" and resid 6  and name HB  ))
     6 6 0 peak 11552 weight  0.11000E+01 volume 713.35938 ppm1 0.875 ppm2 2.015
ASSI { 11562}
  (( segid "PTBd" and resid 6  and name HA  ))
  (( segid "PTBd" and resid 6  and name HG1#  ))
     6 6 0 peak 11562 weight  0.11000E+01 volume 231.75250 ppm1 4.381 ppm2 0.875
ASSI { 11572}
  (( segid "PTBd" and resid 5  and name HG2#  ))
  (( segid "PTBd" and resid 5  and name HA  ))
     6 6 0 peak 11572 weight  0.11000E+01 volume 42.73620 ppm1 1.131 ppm2 4.278
ASSI { 11582}
  (( segid "PTBd" and resid 5  and name HG2#  ))
  (( segid "PTBd" and resid 5  and name HB  ))
     6 6 0 peak 11582 weight  0.11000E+01 volume 269.55499 ppm1 1.131 ppm2 4.120
ASSI { 11592}
  (( segid "PTBd" and resid 5  and name HB  ))
  (( segid "PTBd" and resid 5  and name HG2#  ))
     6 6 0 peak 11592 weight  0.11000E+01 volume 234.13800 ppm1 4.122 ppm2 1.134
ASSI { 11602}
  (( segid "PTBd" and resid 5  and name HA  ))
  (( segid "PTBd" and resid 5  and name HG2#  ))
     6 6 0 peak 11602 weight  0.11000E+01 volume 279.10440 ppm1 4.278 ppm2 1.134
ASSI { 11612}
  (( segid "PTBd" and resid 8  and name HA  ))
  (( segid "PTBd" and resid 8  and name HB1  ))
     6 6 0 peak 11612 weight  0.11000E+01 volume 262.14871 ppm1 4.449 ppm2 2.649
ASSI { 11622}
  (( segid "PTBd" and resid 8  and name HA  ))
  (( segid "PTBd" and resid 8  and name HB2  ))
     6 6 0 peak 11622 weight  0.11000E+01 volume 317.36240 ppm1 4.449 ppm2 2.559
ASSI { 11632}
  (( segid "PTBd" and resid 8  and name HB2  ))
  (( segid "PTBd" and resid 8  and name HA  ))
     6 6 0 peak 11632 weight  0.11000E+01 volume 117.95910 ppm1 2.551 ppm2 4.456
ASSI { 11642}
  (( segid "PTBd" and resid 8  and name HB1  ))
  (( segid "PTBd" and resid 8  and name HA  ))
     6 6 0 peak 11642 weight  0.11000E+01 volume 76.31310 ppm1 2.649 ppm2 4.457
ASSI { 11652}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 34  and name HB  ))
     6 6 0 peak 11652 weight  0.11000E+01 volume 256.84839 ppm1 1.192 ppm2 4.744
ASSI { 11662}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 34  and name HA  ))
     6 6 0 peak 11662 weight  0.11000E+01 volume 210.09480 ppm1 1.193 ppm2 4.954
ASSI { 11672}
  (( segid "PTBd" and resid 34  and name HA  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 11672 weight  0.11000E+01 volume 209.14740 ppm1 4.962 ppm2 1.201
ASSI { 11682}
  (( segid "PTBd" and resid 34  and name HB  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 11682 weight  0.11000E+01 volume 304.78851 ppm1 4.746 ppm2 1.201
ASSI { 11692}
  (( segid "PTBd" and resid 12  and name HB1  ))
  (( segid "PTBd" and resid 12  and name HA  ))
     6 6 0 peak 11692 weight  0.11000E+01 volume 42.07080 ppm1 3.260 ppm2 4.682
ASSI { 11702}
  (( segid "PTBd" and resid 12  and name HB2  ))
  (( segid "PTBd" and resid 12  and name HA  ))
     6 6 0 peak 11702 weight  0.11000E+01 volume 88.06380 ppm1 2.720 ppm2 4.682
ASSI { 11712}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 12  and name HA  ))
     6 6 0 peak 11712 weight  0.11000E+01 volume 34.12540 ppm1 2.088 ppm2 4.682
ASSI { 11722}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 12  and name HA  ))
     6 6 0 peak 11722 weight  0.11000E+01 volume 45.11470 ppm1 7.025 ppm2 4.682
ASSI { 11732}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 12  and name HB1  ))
     6 6 0 peak 11732 weight  0.11000E+01 volume 8.09840 ppm1 2.087 ppm2 3.281
ASSI { 11742}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 12  and name HB2  ))
     6 6 0 peak 11742 weight  0.11000E+01 volume 33.64880 ppm1 2.088 ppm2 2.740
ASSI { 11752}
  (( segid "PTBd" and resid 16  and name HA  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 11752 weight  0.11000E+01 volume 52.09070 ppm1 5.585 ppm2 2.280
ASSI { 11762}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 32  and name HB1  ))
     6 6 0 peak 11762 weight  0.11000E+01 volume 36.91250 ppm1 6.795 ppm2 2.238
ASSI { 11772}
  (( segid "PTBd" and resid 32  and name HB1  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 11772 weight  0.11000E+01 volume 67.47230 ppm1 2.231 ppm2 5.429
ASSI { 11782}
  (( segid "PTBd" and resid 32  and name HG1  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 11782 weight  0.11000E+01 volume 66.06100 ppm1 2.089 ppm2 5.429
ASSI { 11792}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 11792 weight  0.11000E+01 volume 46.28720 ppm1 1.969 ppm2 5.430
ASSI { 11802}
  (( segid "PTBd" and resid 32  and name HB2  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 11802 weight  0.11000E+01 volume 84.85950 ppm1 1.829 ppm2 5.429
ASSI { 11812}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 32  and name HG1  ))
     6 6 0 peak 11812 weight  0.11000E+01 volume 10.21300 ppm1 6.797 ppm2 2.108
ASSI { 11822}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 32  and name HG2  ))
     6 6 0 peak 11822 weight  0.11000E+01 volume 22.21440 ppm1 6.796 ppm2 1.948
ASSI { 11832}
  (( segid "PTBd" and resid 48  and name HA  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 11832 weight  0.11000E+01 volume 83.67390 ppm1 3.974 ppm2 1.446
ASSI { 11842}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 10  and name HB1  ))
     6 6 0 peak 11842 weight  0.11000E+01 volume 10.55910 ppm1 7.028 ppm2 3.166
ASSI { 11852}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 10  and name HB2  ))
     6 6 0 peak 11852 weight  0.11000E+01 volume 30.63080 ppm1 7.028 ppm2 3.009
ASSI { 11862}
  (( segid "PTBd" and resid 10  and name HA  ))
  (( segid "PTBd" and resid 10  and name HB2  ))
     6 6 0 peak 11862 weight  0.11000E+01 volume 141.86880 ppm1 4.445 ppm2 3.009
ASSI { 11872}
  (( segid "PTBd" and resid 10  and name HA  ))
  (( segid "PTBd" and resid 10  and name HB1  ))
     6 6 0 peak 11872 weight  0.11000E+01 volume 55.82670 ppm1 4.445 ppm2 3.166
ASSI { 11882}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 10  and name HA  ))
     6 6 0 peak 11882 weight  0.11000E+01 volume 40.01970 ppm1 7.027 ppm2 4.440
ASSI { 11892}
  (( segid "PTBd" and resid 10  and name HB1  ))
  (( segid "PTBd" and resid 10  and name HA  ))
     6 6 0 peak 11892 weight  0.11000E+01 volume 109.47840 ppm1 3.161 ppm2 4.440
ASSI { 11902}
  (( segid "PTBd" and resid 10  and name HB2  ))
  (( segid "PTBd" and resid 10  and name HA  ))
     6 6 0 peak 11902 weight  0.11000E+01 volume 83.50560 ppm1 3.006 ppm2 4.440
ASSI { 11912}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 84  and name HB1  ))
     6 6 0 peak 11912 weight  0.11000E+01 volume 43.68310 ppm1 0.785 ppm2 3.124
ASSI { 11922}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 84  and name HB2  ))
     6 6 0 peak 11922 weight  0.11000E+01 volume 37.53490 ppm1 0.786 ppm2 2.290
ASSI { 11932}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 84  and name HB1  ))
     6 6 0 peak 11932 weight  0.11000E+01 volume 16.83270 ppm1 1.803 ppm2 3.124
ASSI { 11942}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 84  and name HB2  ))
     6 6 0 peak 11942 weight  0.11000E+01 volume 40.90290 ppm1 1.803 ppm2 2.290
ASSI { 11952}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 84  and name HA  ))
     6 6 0 peak 11952 weight  0.11000E+01 volume 36.94750 ppm1 0.786 ppm2 4.683
ASSI { 11962}
  (( segid "PTBd" and resid 84  and name HB2  ))
  (( segid "PTBd" and resid 84  and name HA  ))
     6 6 0 peak 11962 weight  0.11000E+01 volume 52.47650 ppm1 2.284 ppm2 4.682
ASSI { 11972}
  (( segid "PTBd" and resid 84  and name HB1  ))
  (( segid "PTBd" and resid 84  and name HA  ))
     6 6 0 peak 11972 weight  0.11000E+01 volume 54.06900 ppm1 3.121 ppm2 4.683
ASSI { 11982}
  (( segid "PTBd" and resid 16  and name HA  ))
  (( segid "PTBd" and resid 84  and name HA  ))
     6 6 0 peak 11982 weight  0.11000E+01 volume 23.18290 ppm1 5.585 ppm2 4.683
ASSI { 12002}
  (( segid "PTBd" and resid 35  and name HB1  ))
  (( segid "PTBd" and resid 35  and name HA  ))
     6 6 0 peak 12002 weight  0.11000E+01 volume 31.47130 ppm1 2.807 ppm2 4.571
ASSI { 12012}
  (( segid "PTBd" and resid 35  and name HB2  ))
  (( segid "PTBd" and resid 35  and name HA  ))
     6 6 0 peak 12012 weight  0.11000E+01 volume 40.89890 ppm1 2.733 ppm2 4.571
ASSI { 12022}
  (( segid "PTBd" and resid 35  and name HA  ))
  (( segid "PTBd" and resid 35  and name HB1  ))
     6 6 0 peak 12022 weight  0.11000E+01 volume 40.69550 ppm1 4.569 ppm2 2.807
ASSI { 12032}
  (( segid "PTBd" and resid 35  and name HA  ))
  (( segid "PTBd" and resid 35  and name HB2  ))
     6 6 0 peak 12032 weight  0.11000E+01 volume 37.83780 ppm1 4.569 ppm2 2.733
ASSI { 12042}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 88  and name HB1  ))
     6 6 0 peak 12042 weight  0.11000E+01 volume 93.50940 ppm1 6.343 ppm2 1.771
ASSI { 12052}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 88  and name HB1  ))
     6 6 0 peak 12052 weight  0.11000E+01 volume 99.59130 ppm1 2.631 ppm2 1.771
ASSI { 12062}
  (( segid "PTBd" and resid 91  and name HB2  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12062 weight  0.11000E+01 volume 58.96490 ppm1 2.983 ppm2 2.626
ASSI { 12072}
  (( segid "PTBd" and resid 91  and name HB1  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12072 weight  0.11000E+01 volume 30.67300 ppm1 3.111 ppm2 2.627
ASSI { 12082}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12082 weight  0.11000E+01 volume 14.63400 ppm1 6.343 ppm2 2.627
ASSI { 12092}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12092 weight  0.11000E+01 volume 10.13420 ppm1 6.453 ppm2 2.627
ASSI { 12102}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 88  and name HG1  ))
     6 6 0 peak 12102 weight  0.11000E+01 volume 8.32390 ppm1 6.344 ppm2 1.950
ASSI { 12112}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 88  and name HG2  ))
     6 6 0 peak 12112 weight  0.11000E+01 volume 7.08900 ppm1 6.344 ppm2 1.787
ASSI { 12122}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 88  and name HG2  ))
     6 6 0 peak 12122 weight  0.11000E+01 volume 143.41879 ppm1 2.631 ppm2 1.787
ASSI { 12132}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 88  and name HG1  ))
     6 6 0 peak 12132 weight  0.11000E+01 volume 69.48470 ppm1 2.631 ppm2 1.950
ASSI { 12142}
  (( segid "PTBd" and resid 88  and name HG1  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12142 weight  0.11000E+01 volume 58.89000 ppm1 1.951 ppm2 2.626
ASSI { 12152}
  (( segid "PTBd" and resid 88  and name HG2  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12152 weight  0.11000E+01 volume 47.52650 ppm1 1.787 ppm2 2.626
ASSI { 12162}
  (( segid "PTBd" and resid 88  and name HB1  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 12162 weight  0.11000E+01 volume 51.42630 ppm1 1.771 ppm2 2.626
ASSI { 12172}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12172 weight  0.11000E+01 volume 312.09061 ppm1 2.075 ppm2 1.267
ASSI { 12182}
  (( segid "PTBd" and resid 31  and name HB2  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12182 weight  0.11000E+01 volume 90.60120 ppm1 1.550 ppm2 1.267
ASSI { 12192}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12192 weight  0.11000E+01 volume 98.28590 ppm1 1.924 ppm2 1.267
ASSI { 12202}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12202 weight  0.11000E+01 volume 86.37870 ppm1 5.623 ppm2 1.266
ASSI { 12212}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12212 weight  0.11000E+01 volume 14.82360 ppm1 -0.591 ppm2 1.267
ASSI { 12222}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12222 weight  0.11000E+01 volume 35.87000 ppm1 -0.258 ppm2 1.267
ASSI { 12232}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HB1  ))
     6 6 0 peak 12232 weight  0.11000E+01 volume 45.37480 ppm1 -0.591 ppm2 0.908
ASSI { 12242}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12242 weight  0.11000E+01 volume 131.16051 ppm1 0.407 ppm2 1.266
ASSI { 12252}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 12252 weight  0.11000E+01 volume 90.55620 ppm1 0.292 ppm2 1.266
ASSI { 12262}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 12262 weight  0.11000E+01 volume 277.48761 ppm1 1.259 ppm2 0.410
ASSI { 12272}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 12272 weight  0.11000E+01 volume 173.91769 ppm1 1.258 ppm2 0.299
ASSI { 12282}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 12282 weight  0.11000E+01 volume 23.51670 ppm1 -0.258 ppm2 0.410
ASSI { 12292}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 12292 weight  0.11000E+01 volume 21.06490 ppm1 -0.590 ppm2 0.410
ASSI { 12302}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 12302 weight  0.11000E+01 volume 22.02800 ppm1 -0.259 ppm2 0.299
ASSI { 12312}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 12312 weight  0.11000E+01 volume 51.78230 ppm1 -0.590 ppm2 0.299
ASSI { 12322}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 12322 weight  0.11000E+01 volume 15.96590 ppm1 1.257 ppm2 -0.247
ASSI { 12332}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 12332 weight  0.11000E+01 volume 62.86570 ppm1 1.256 ppm2 -0.584
ASSI { 12342}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 57  and name HD1  ))
     6 6 0 peak 12342 weight  0.11000E+01 volume 32.88580 ppm1 3.972 ppm2 3.146
ASSI { 12352}
  (( segid "PTBd" and resid 30  and name HG11  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 12352 weight  0.11000E+01 volume 39.50230 ppm1 1.498 ppm2 4.999
ASSI { 12362}
  (( segid "PTBd" and resid 30  and name HG12  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 12362 weight  0.11000E+01 volume 49.71620 ppm1 1.229 ppm2 4.998
ASSI { 12372}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 12372 weight  0.11000E+01 volume 45.74280 ppm1 1.787 ppm2 4.999
ASSI { 12382}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 12382 weight  0.11000E+01 volume 55.57090 ppm1 5.694 ppm2 4.185
ASSI { 12392}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HG1  ))
     6 6 0 peak 12392 weight  0.11000E+01 volume 72.42870 ppm1 1.084 ppm2 2.325
ASSI { 12402}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HG2  ))
     6 6 0 peak 12402 weight  0.11000E+01 volume 84.80030 ppm1 1.084 ppm2 2.262
ASSI { 12412}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 74  and name HG2  ))
     6 6 0 peak 12412 weight  0.11000E+01 volume 9.45300 ppm1 0.556 ppm2 2.262
ASSI { 12422}
  (( segid "PTBd" and resid 74  and name HA  ))
  (( segid "PTBd" and resid 74  and name HG1  ))
     6 6 0 peak 12422 weight  0.11000E+01 volume 176.40540 ppm1 4.054 ppm2 2.325
ASSI { 12432}
  (( segid "PTBd" and resid 74  and name HA  ))
  (( segid "PTBd" and resid 74  and name HG2  ))
     6 6 0 peak 12432 weight  0.11000E+01 volume 143.23849 ppm1 4.054 ppm2 2.262
ASSI { 12442}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 74  and name HB2  ))
     6 6 0 peak 12442 weight  0.11000E+01 volume 4.33080 ppm1 0.555 ppm2 1.925
ASSI { 12452}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 74  and name HB1  ))
     6 6 0 peak 12452 weight  0.11000E+01 volume 4.97210 ppm1 0.555 ppm2 2.150
ASSI { 12462}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HB1  ))
     6 6 0 peak 12462 weight  0.11000E+01 volume 6.28210 ppm1 1.084 ppm2 2.150
ASSI { 12472}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HB2  ))
     6 6 0 peak 12472 weight  0.11000E+01 volume 29.60030 ppm1 1.083 ppm2 1.925
ASSI { 12482}
  (( segid "PTBd" and resid 74  and name HA  ))
  (( segid "PTBd" and resid 74  and name HB1  ))
     6 6 0 peak 12482 weight  0.11000E+01 volume 374.26819 ppm1 4.055 ppm2 2.150
ASSI { 12492}
  (( segid "PTBd" and resid 74  and name HA  ))
  (( segid "PTBd" and resid 74  and name HB2  ))
     6 6 0 peak 12492 weight  0.11000E+01 volume 353.95251 ppm1 4.055 ppm2 1.925
ASSI { 12502}
  (( segid "PTBd" and resid 74  and name HB2  ))
  (( segid "PTBd" and resid 74  and name HA  ))
     6 6 0 peak 12502 weight  0.11000E+01 volume 134.14120 ppm1 1.931 ppm2 4.054
ASSI { 12512}
  (( segid "PTBd" and resid 74  and name HB1  ))
  (( segid "PTBd" and resid 74  and name HA  ))
     6 6 0 peak 12512 weight  0.11000E+01 volume 121.25430 ppm1 2.150 ppm2 4.054
ASSI { 12522}
  (( segid "PTBd" and resid 44  and name HE1  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12522 weight  0.11000E+01 volume 19.44580 ppm1 2.961 ppm2 4.098
ASSI { 12532}
  (( segid "PTBd" and resid 44  and name HG2  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12532 weight  0.11000E+01 volume 79.03430 ppm1 1.389 ppm2 4.098
ASSI { 12542}
  (( segid "PTBd" and resid 44  and name HG1  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12542 weight  0.11000E+01 volume 61.05760 ppm1 1.441 ppm2 4.098
ASSI { 12552}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HG1  ))
     6 6 0 peak 12552 weight  0.11000E+01 volume 64.84090 ppm1 4.099 ppm2 1.441
ASSI { 12562}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HG2  ))
     6 6 0 peak 12562 weight  0.11000E+01 volume 123.13010 ppm1 4.099 ppm2 1.389
ASSI { 12572}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HD1  ))
     6 6 0 peak 12572 weight  0.11000E+01 volume 139.44501 ppm1 4.099 ppm2 1.679
ASSI { 12582}
  (( segid "PTBd" and resid 44  and name HD1  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12582 weight  0.11000E+01 volume 133.60100 ppm1 1.680 ppm2 4.098
ASSI { 12592}
  (( segid "PTBd" and resid 44  and name HB1  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12592 weight  0.11000E+01 volume 295.60751 ppm1 1.968 ppm2 4.098
ASSI { 12602}
  (( segid "PTBd" and resid 44  and name HB2  ))
  (( segid "PTBd" and resid 44  and name HA  ))
     6 6 0 peak 12602 weight  0.11000E+01 volume 65.35630 ppm1 1.848 ppm2 4.098
ASSI { 12612}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HB1  ))
     6 6 0 peak 12612 weight  0.11000E+01 volume 220.43491 ppm1 4.099 ppm2 1.969
ASSI { 12622}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HB2  ))
     6 6 0 peak 12622 weight  0.11000E+01 volume 90.94140 ppm1 4.099 ppm2 1.848
ASSI { 12632}
  (( segid "PTBd" and resid 44  and name HA  ))
  (( segid "PTBd" and resid 44  and name HE1  ))
     6 6 0 peak 12632 weight  0.11000E+01 volume 43.59530 ppm1 4.099 ppm2 2.966
ASSI { 12642}
  (( segid "PTBd" and resid 118  and name HG2#  ))
  (( segid "PTBd" and resid 118  and name HA  ))
     6 6 0 peak 12642 weight  0.11000E+01 volume 35.17590 ppm1 1.173 ppm2 4.275
ASSI { 12652}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 36  and name HA  ))
     6 6 0 peak 12652 weight  0.11000E+01 volume 56.51410 ppm1 6.650 ppm2 4.366
ASSI { 12662}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 36  and name HA  ))
     6 6 0 peak 12662 weight  0.11000E+01 volume 43.48330 ppm1 6.403 ppm2 4.366
ASSI { 12672}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 36  and name HB  ))
     6 6 0 peak 12672 weight  0.11000E+01 volume 19.92880 ppm1 6.651 ppm2 3.982
ASSI { 12682}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 12682 weight  0.11000E+01 volume 35.34070 ppm1 6.650 ppm2 1.089
ASSI { 12692}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 12692 weight  0.11000E+01 volume 49.77880 ppm1 6.403 ppm2 1.089
ASSI { 12702}
  (( segid "PTBd" and resid 118  and name HG2#  ))
  (( segid "PTBd" and resid 118  and name HB  ))
     6 6 0 peak 12702 weight  0.11000E+01 volume 117.62580 ppm1 1.173 ppm2 4.186
ASSI { 12712}
  (( segid "PTBd" and resid 118  and name HA  ))
  (( segid "PTBd" and resid 118  and name HG2#  ))
     6 6 0 peak 12712 weight  0.11000E+01 volume 87.71640 ppm1 4.275 ppm2 1.179
ASSI { 12722}
  (( segid "PTBd" and resid 118  and name HB  ))
  (( segid "PTBd" and resid 118  and name HG2#  ))
     6 6 0 peak 12722 weight  0.11000E+01 volume 87.35840 ppm1 4.181 ppm2 1.179
ASSI { 12732}
  (( segid "PTBd" and resid 84  and name HB1  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12732 weight  0.11000E+01 volume 49.30700 ppm1 3.121 ppm2 3.599
ASSI { 12742}
  (( segid "PTBd" and resid 84  and name HB2  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12742 weight  0.11000E+01 volume 13.04110 ppm1 2.284 ppm2 3.599
ASSI { 12752}
  (( segid "PTBd" and resid 90  and name HB1  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12752 weight  0.11000E+01 volume 16.74280 ppm1 0.908 ppm2 3.598
ASSI { 12762}
  (( segid "PTBd" and resid 90  and name HB2  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12762 weight  0.11000E+01 volume 26.56620 ppm1 0.271 ppm2 3.598
ASSI { 12772}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12772 weight  0.11000E+01 volume 19.48680 ppm1 -0.258 ppm2 3.598
ASSI { 12782}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 12782 weight  0.11000E+01 volume 17.68960 ppm1 -0.591 ppm2 3.598
ASSI { 12792}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 12792 weight  0.11000E+01 volume 31.70520 ppm1 -0.591 ppm2 3.011
ASSI { 12802}
  (( segid "PTBd" and resid 87  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 12802 weight  0.11000E+01 volume 66.17320 ppm1 3.595 ppm2 -0.584
ASSI { 12812}
  (( segid "PTBd" and resid 87  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 12812 weight  0.11000E+01 volume 80.19140 ppm1 3.595 ppm2 -0.247
ASSI { 12822}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HB2  ))
     6 6 0 peak 12822 weight  0.11000E+01 volume 29.08600 ppm1 -0.592 ppm2 0.275
ASSI { 12832}
  (( segid "PTBd" and resid 87  and name HA  ))
  (( segid "PTBd" and resid 90  and name HB2  ))
     6 6 0 peak 12832 weight  0.11000E+01 volume 6.49430 ppm1 3.593 ppm2 0.275
ASSI { 12842}
  (( segid "PTBd" and resid 87  and name HA  ))
  (( segid "PTBd" and resid 90  and name HB1  ))
     6 6 0 peak 12842 weight  0.11000E+01 volume 27.68270 ppm1 3.593 ppm2 0.908
ASSI { 12852}
  (( segid "PTBd" and resid 110  and name HB  ))
  (( segid "PTBd" and resid 110  and name HA  ))
     6 6 0 peak 12852 weight  0.11000E+01 volume 39.36300 ppm1 2.004 ppm2 4.050
ASSI { 12862}
  (( segid "PTBd" and resid 110  and name HG1#  ))
  (( segid "PTBd" and resid 110  and name HA  ))
     6 6 0 peak 12862 weight  0.11000E+01 volume 181.27350 ppm1 0.915 ppm2 4.050
ASSI { 12872}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG12  ))
     6 6 0 peak 12872 weight  0.11000E+01 volume 63.94380 ppm1 4.989 ppm2 1.233
ASSI { 12882}
  (( segid "PTBd" and resid 66  and name HB1  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 12882 weight  0.11000E+01 volume 39.86860 ppm1 3.447 ppm2 5.182
ASSI { 12892}
  (( segid "PTBd" and resid 66  and name HB2  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 12892 weight  0.11000E+01 volume 13.38700 ppm1 3.231 ppm2 5.182
ASSI { 12902}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 12902 weight  0.11000E+01 volume 2.14980 ppm1 0.817 ppm2 5.182
ASSI { 12912}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 12912 weight  0.11000E+01 volume 31.75420 ppm1 0.657 ppm2 5.182
ASSI { 12922}
  (( segid "PTBd" and resid 66  and name HA  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 12922 weight  0.11000E+01 volume 142.33530 ppm1 5.410 ppm2 5.182
ASSI { 12942}
  (( segid "PTBd" and resid 66  and name HA  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 12942 weight  0.11000E+01 volume 71.05850 ppm1 5.409 ppm2 1.150
ASSI { 12952}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 12952 weight  0.11000E+01 volume 10.79380 ppm1 5.540 ppm2 1.150
ASSI { 12972}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 12972 weight  0.11000E+01 volume 377.86969 ppm1 5.181 ppm2 5.407
ASSI { 12982}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 12982 weight  0.11000E+01 volume 21.93860 ppm1 1.145 ppm2 5.407
ASSI { 12992}
  (( segid "PTBd" and resid 66  and name HB2  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 12992 weight  0.11000E+01 volume 55.01960 ppm1 3.232 ppm2 1.150
ASSI { 13002}
  (( segid "PTBd" and resid 66  and name HB1  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13002 weight  0.11000E+01 volume 64.15550 ppm1 3.447 ppm2 1.150
ASSI { 13022}
  (( segid "FGFR" and resid 209  and name HA  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13022 weight  0.11000E+01 volume 12.25540 ppm1 4.312 ppm2 1.150
ASSI { 13032}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13032 weight  0.11000E+01 volume 10.97900 ppm1 1.883 ppm2 1.150
ASSI { 13042}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13042 weight  0.11000E+01 volume 72.11580 ppm1 1.666 ppm2 1.150
ASSI { 13052}
  (( segid "FGFR" and resid 209  and name HB2  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13052 weight  0.11000E+01 volume 13.30100 ppm1 1.551 ppm2 1.150
ASSI { 13062}
  (( segid "PTBd" and resid 64  and name HG  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13062 weight  0.11000E+01 volume 14.46620 ppm1 1.467 ppm2 1.150
ASSI { 13072}
  (( segid "FGFR" and resid 213  and name HG11  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13072 weight  0.11000E+01 volume 34.31370 ppm1 1.324 ppm2 1.150
ASSI { 13092}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13092 weight  0.11000E+01 volume 787.70251 ppm1 0.657 ppm2 1.150
ASSI { 13102}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 13102 weight  0.11000E+01 volume 279.47980 ppm1 0.791 ppm2 1.150
ASSI { 13112}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13112 weight  0.11000E+01 volume 122.99820 ppm1 5.181 ppm2 3.443
ASSI { 13122}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13122 weight  0.11000E+01 volume 73.72570 ppm1 5.181 ppm2 3.235
ASSI { 13132}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13132 weight  0.11000E+01 volume 33.33950 ppm1 1.144 ppm2 3.444
ASSI { 13142}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13142 weight  0.11000E+01 volume 24.47550 ppm1 0.786 ppm2 3.444
ASSI { 13152}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13152 weight  0.11000E+01 volume 55.24830 ppm1 0.657 ppm2 3.444
ASSI { 13162}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13162 weight  0.11000E+01 volume 146.46230 ppm1 0.600 ppm2 3.444
ASSI { 13172}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 13172 weight  0.11000E+01 volume 34.37580 ppm1 0.516 ppm2 3.444
ASSI { 13182}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13182 weight  0.11000E+01 volume 77.09010 ppm1 0.516 ppm2 3.235
ASSI { 13192}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13192 weight  0.11000E+01 volume 96.70320 ppm1 0.600 ppm2 3.235
ASSI { 13202}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13202 weight  0.11000E+01 volume 12.65680 ppm1 0.657 ppm2 3.235
ASSI { 13212}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13212 weight  0.11000E+01 volume 11.87820 ppm1 0.788 ppm2 3.235
ASSI { 13222}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 13222 weight  0.11000E+01 volume 23.83580 ppm1 1.144 ppm2 3.235
ASSI { 13232}
  (( segid "PTBd" and resid 63  and name HA  ))
  (( segid "PTBd" and resid 85  and name HA  ))
     6 6 0 peak 13232 weight  0.11000E+01 volume 20.99880 ppm1 5.166 ppm2 4.569
ASSI { 13242}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 13242 weight  0.11000E+01 volume 15.35470 ppm1 4.979 ppm2 1.630
ASSI { 13252}
  (( segid "PTBd" and resid 63  and name HA  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 13252 weight  0.11000E+01 volume 15.45260 ppm1 5.166 ppm2 1.630
ASSI { 13262}
  (( segid "PTBd" and resid 63  and name HB2  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 13262 weight  0.11000E+01 volume 7.93630 ppm1 2.833 ppm2 1.630
ASSI { 13272}
  (( segid "PTBd" and resid 63  and name HB1  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 13272 weight  0.11000E+01 volume 10.54720 ppm1 3.012 ppm2 1.630
ASSI { 13282}
  (( segid "PTBd" and resid 86  and name HD2  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 13282 weight  0.11000E+01 volume 4.08080 ppm1 3.234 ppm2 1.631
ASSI { 13292}
  (( segid "PTBd" and resid 85  and name HA  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 13292 weight  0.11000E+01 volume 26.09620 ppm1 4.583 ppm2 3.014
ASSI { 13302}
  (( segid "PTBd" and resid 85  and name HA  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 13302 weight  0.11000E+01 volume 22.73390 ppm1 4.583 ppm2 2.826
ASSI { 13312}
  (( segid "PTBd" and resid 26  and name HG  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 13312 weight  0.11000E+01 volume 73.76190 ppm1 1.470 ppm2 5.541
ASSI { 13322}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 13322 weight  0.11000E+01 volume 52.16390 ppm1 4.013 ppm2 5.541
ASSI { 13332}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 13332 weight  0.11000E+01 volume 67.32310 ppm1 5.545 ppm2 4.007
ASSI { 13342}
  (( segid "PTBd" and resid 23  and name HA2  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 13342 weight  0.11000E+01 volume 77.88570 ppm1 3.377 ppm2 1.881
ASSI { 13352}
  (( segid "PTBd" and resid 26  and name HD2#  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 13352 weight  0.11000E+01 volume 30.47060 ppm1 0.555 ppm2 5.541
ASSI { 13362}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 13362 weight  0.11000E+01 volume 38.50090 ppm1 0.895 ppm2 5.541
ASSI { 13372}
  (( segid "PTBd" and resid 23  and name HA2  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13372 weight  0.11000E+01 volume 60.11630 ppm1 3.376 ppm2 0.637
ASSI { 13382}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13382 weight  0.11000E+01 volume 26.27360 ppm1 5.183 ppm2 0.637
ASSI { 13392}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13392 weight  0.11000E+01 volume 164.44749 ppm1 5.409 ppm2 0.637
ASSI { 13402}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13402 weight  0.11000E+01 volume 38.42630 ppm1 5.409 ppm2 0.817
ASSI { 13412}
  (( segid "PTBd" and resid 81  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13412 weight  0.11000E+01 volume 17.50770 ppm1 5.183 ppm2 0.817
ASSI { 13422}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13422 weight  0.11000E+01 volume 67.94230 ppm1 4.015 ppm2 0.637
ASSI { 13432}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13432 weight  0.11000E+01 volume 347.65179 ppm1 4.015 ppm2 0.817
ASSI { 13442}
  (( segid "PTBd" and resid 23  and name HA2  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13442 weight  0.11000E+01 volume 101.02150 ppm1 3.376 ppm2 0.817
ASSI { 13452}
  (( segid "PTBd" and resid 23  and name HA1  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13452 weight  0.11000E+01 volume 93.56090 ppm1 4.142 ppm2 0.637
ASSI { 13462}
  (( segid "PTBd" and resid 23  and name HA1  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13462 weight  0.11000E+01 volume 100.57150 ppm1 4.142 ppm2 0.817
ASSI { 13482}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13482 weight  0.11000E+01 volume 19.35190 ppm1 4.530 ppm2 0.637
ASSI { 13492}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 13492 weight  0.11000E+01 volume 533.13593 ppm1 1.145 ppm2 0.637
ASSI { 13502}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 13502 weight  0.11000E+01 volume 102.15440 ppm1 4.532 ppm2 0.816
ASSI { 13522}
  (( segid "PTBd" and resid 17  and name HG2#  ))
  (( segid "PTBd" and resid 25  and name HB2  ))
     6 6 0 peak 13522 weight  0.11000E+01 volume 113.11020 ppm1 0.895 ppm2 1.862
ASSI { 13542}
  (( segid "PTBd" and resid 84  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 13542 weight  0.11000E+01 volume 14.58130 ppm1 3.121 ppm2 5.586
ASSI { 13552}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 13552 weight  0.11000E+01 volume 9.60390 ppm1 3.042 ppm2 5.586
ASSI { 13562}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 13562 weight  0.11000E+01 volume 10.52430 ppm1 2.853 ppm2 5.586
ASSI { 13572}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 13572 weight  0.11000E+01 volume 68.14640 ppm1 5.426 ppm2 4.840
ASSI { 13582}
  (( segid "PTBd" and resid 28  and name HB2  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 13582 weight  0.11000E+01 volume 215.78931 ppm1 4.049 ppm2 5.430
ASSI { 13592}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 28  and name HB2  ))
     6 6 0 peak 13592 weight  0.11000E+01 volume 296.47180 ppm1 5.426 ppm2 4.049
ASSI { 13602}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 28  and name HB1  ))
     6 6 0 peak 13602 weight  0.11000E+01 volume 4.62620 ppm1 4.840 ppm2 4.079
ASSI { 13612}
  (( segid "PTBd" and resid 28  and name HB2  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 13612 weight  0.11000E+01 volume 21.73360 ppm1 4.049 ppm2 4.840
ASSI { 13622}
  (( segid "PTBd" and resid 17  and name HG12  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 13622 weight  0.11000E+01 volume 44.32700 ppm1 1.133 ppm2 1.718
ASSI { 13632}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 13632 weight  0.11000E+01 volume 10.90510 ppm1 0.814 ppm2 1.718
ASSI { 13642}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 13642 weight  0.11000E+01 volume 34.79850 ppm1 1.942 ppm2 1.719
ASSI { 13652}
  (( segid "PTBd" and resid 17  and name HA  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 13652 weight  0.11000E+01 volume 16.04990 ppm1 4.848 ppm2 1.719
ASSI { 13662}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG11  ))
     6 6 0 peak 13662 weight  0.11000E+01 volume 47.34590 ppm1 5.426 ppm2 1.630
ASSI { 13672}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG12  ))
     6 6 0 peak 13672 weight  0.11000E+01 volume 18.31350 ppm1 5.427 ppm2 1.133
ASSI { 13682}
  (( segid "PTBd" and resid 28  and name HB2  ))
  (( segid "PTBd" and resid 17  and name HG12  ))
     6 6 0 peak 13682 weight  0.11000E+01 volume 34.74030 ppm1 4.049 ppm2 1.133
ASSI { 13692}
  (( segid "PTBd" and resid 28  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HG12  ))
     6 6 0 peak 13692 weight  0.11000E+01 volume 64.94230 ppm1 4.079 ppm2 1.133
ASSI { 13702}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13702 weight  0.11000E+01 volume 16.44410 ppm1 5.544 ppm2 0.887
ASSI { 13712}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13712 weight  0.11000E+01 volume 107.75630 ppm1 5.425 ppm2 0.887
ASSI { 13722}
  (( segid "PTBd" and resid 28  and name HA  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13722 weight  0.11000E+01 volume 55.04270 ppm1 5.426 ppm2 0.887
ASSI { 13732}
  (( segid "PTBd" and resid 16  and name HA  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13732 weight  0.11000E+01 volume 27.74770 ppm1 5.580 ppm2 0.887
ASSI { 13742}
  (( segid "PTBd" and resid 28  and name HB2  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13742 weight  0.11000E+01 volume 51.99750 ppm1 4.049 ppm2 0.887
ASSI { 13752}
  (( segid "PTBd" and resid 28  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13752 weight  0.11000E+01 volume 48.84830 ppm1 4.079 ppm2 0.887
ASSI { 13762}
  (( segid "PTBd" and resid 83  and name HE1  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13762 weight  0.11000E+01 volume 66.62440 ppm1 2.970 ppm2 0.887
ASSI { 13772}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13772 weight  0.11000E+01 volume 23.39630 ppm1 2.872 ppm2 0.887
ASSI { 13782}
  (( segid "PTBd" and resid 25  and name HG1  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13782 weight  0.11000E+01 volume 38.53350 ppm1 2.567 ppm2 0.887
ASSI { 13792}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13792 weight  0.11000E+01 volume 112.61720 ppm1 4.007 ppm2 0.887
ASSI { 13802}
  (( segid "PTBd" and resid 28  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13802 weight  0.11000E+01 volume 64.86930 ppm1 4.080 ppm2 0.887
ASSI { 13812}
  (( segid "PTBd" and resid 25  and name HG1  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13812 weight  0.11000E+01 volume 65.52470 ppm1 2.568 ppm2 0.887
ASSI { 13822}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13822 weight  0.11000E+01 volume 18.96460 ppm1 2.871 ppm2 0.887
ASSI { 13832}
  (( segid "PTBd" and resid 83  and name HE1  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 13832 weight  0.11000E+01 volume 17.31820 ppm1 2.970 ppm2 0.887
ASSI { 13852}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13852 weight  0.11000E+01 volume 38.53750 ppm1 1.505 ppm2 0.887
ASSI { 13862}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 13862 weight  0.11000E+01 volume 21.81480 ppm1 1.942 ppm2 0.887
ASSI { 13872}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 13872 weight  0.11000E+01 volume 38.25580 ppm1 1.255 ppm2 5.226
ASSI { 13882}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 13882 weight  0.11000E+01 volume 6.38220 ppm1 1.931 ppm2 5.226
ASSI { 13892}
  (( segid "PTBd" and resid 40  and name HB1  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 13892 weight  0.11000E+01 volume 66.13160 ppm1 2.055 ppm2 5.226
ASSI { 13902}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 13902 weight  0.11000E+01 volume 72.70930 ppm1 5.628 ppm2 5.226
ASSI { 13912}
  (( segid "PTBd" and resid 40  and name HA  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 13912 weight  0.11000E+01 volume 47.30580 ppm1 5.231 ppm2 1.266
ASSI { 13922}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 40  and name HB1  ))
     6 6 0 peak 13922 weight  0.11000E+01 volume 12.61380 ppm1 6.680 ppm2 2.035
ASSI { 13932}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 40  and name HB2  ))
     6 6 0 peak 13932 weight  0.11000E+01 volume 9.65130 ppm1 6.680 ppm2 1.271
ASSI { 13942}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 13942 weight  0.11000E+01 volume 6.20440 ppm1 5.086 ppm2 0.705
ASSI { 13952}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 13952 weight  0.11000E+01 volume 298.51840 ppm1 0.707 ppm2 1.266
ASSI { 13962}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 13962 weight  0.11000E+01 volume 158.82370 ppm1 1.024 ppm2 1.267
ASSI { 13972}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 13972 weight  0.11000E+01 volume 294.51331 ppm1 1.260 ppm2 1.021
ASSI { 13982}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 13982 weight  0.11000E+01 volume 486.69061 ppm1 1.260 ppm2 0.704
ASSI { 13992}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 13992 weight  0.11000E+01 volume 63.29130 ppm1 5.628 ppm2 0.704
ASSI { 14002}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14002 weight  0.11000E+01 volume 10.23470 ppm1 7.258 ppm2 0.704
ASSI { 14012}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14012 weight  0.11000E+01 volume 15.37080 ppm1 7.107 ppm2 0.704
ASSI { 14022}
  (( segid "PTBd" and resid 67  and name HZ  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14022 weight  0.11000E+01 volume 23.24150 ppm1 7.053 ppm2 0.704
ASSI { 14032}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14032 weight  0.11000E+01 volume 72.81660 ppm1 7.258 ppm2 1.021
ASSI { 14042}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14042 weight  0.11000E+01 volume 15.65750 ppm1 7.107 ppm2 1.021
ASSI { 14052}
  (( segid "PTBd" and resid 67  and name HZ  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14052 weight  0.11000E+01 volume 48.79850 ppm1 7.054 ppm2 1.021
ASSI { 14062}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14062 weight  0.11000E+01 volume 7.55770 ppm1 6.681 ppm2 0.704
ASSI { 14072}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14072 weight  0.11000E+01 volume 50.59140 ppm1 6.638 ppm2 0.704
ASSI { 14082}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14082 weight  0.11000E+01 volume 16.95340 ppm1 6.682 ppm2 1.021
ASSI { 14092}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14092 weight  0.11000E+01 volume 36.20680 ppm1 6.638 ppm2 1.021
ASSI { 14102}
  (( segid "PTBd" and resid 50  and name HZ2  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14102 weight  0.11000E+01 volume 4.36710 ppm1 5.995 ppm2 1.021
ASSI { 14112}
  (( segid "PTBd" and resid 42  and name HB  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14112 weight  0.11000E+01 volume 10.60840 ppm1 4.447 ppm2 0.704
ASSI { 14122}
  (( segid "PTBd" and resid 29  and name HA1  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14122 weight  0.11000E+01 volume 27.83320 ppm1 4.562 ppm2 0.704
ASSI { 14132}
  (( segid "PTBd" and resid 29  and name HA2  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14132 weight  0.11000E+01 volume 53.63580 ppm1 4.102 ppm2 0.704
ASSI { 14142}
  (( segid "FGFR" and resid 206  and name HA  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14142 weight  0.11000E+01 volume 23.05630 ppm1 4.265 ppm2 1.021
ASSI { 14152}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14152 weight  0.11000E+01 volume 154.90480 ppm1 2.062 ppm2 1.021
ASSI { 14162}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14162 weight  0.11000E+01 volume 31.91200 ppm1 0.618 ppm2 1.021
ASSI { 14172}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14172 weight  0.11000E+01 volume 35.25330 ppm1 0.555 ppm2 1.021
ASSI { 14182}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14182 weight  0.11000E+01 volume 14.73790 ppm1 -0.066 ppm2 1.021
ASSI { 14192}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 14192 weight  0.11000E+01 volume 66.33100 ppm1 1.931 ppm2 1.021
ASSI { 14202}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14202 weight  0.11000E+01 volume 69.49860 ppm1 1.930 ppm2 0.705
ASSI { 14212}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14212 weight  0.11000E+01 volume 69.41280 ppm1 2.062 ppm2 0.705
ASSI { 14222}
  (( segid "PTBd" and resid 31  and name HB2  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14222 weight  0.11000E+01 volume 28.05140 ppm1 1.544 ppm2 0.704
ASSI { 14232}
  (( segid "PTBd" and resid 48  and name HB  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14232 weight  0.11000E+01 volume 16.38650 ppm1 1.438 ppm2 0.704
ASSI { 14242}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 14242 weight  0.11000E+01 volume 14.45050 ppm1 0.405 ppm2 0.705
ASSI { 14252}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14252 weight  0.11000E+01 volume 20.71980 ppm1 7.451 ppm2 1.266
ASSI { 14262}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14262 weight  0.11000E+01 volume 62.08350 ppm1 7.250 ppm2 1.266
ASSI { 14272}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14272 weight  0.11000E+01 volume 180.93880 ppm1 7.111 ppm2 1.266
ASSI { 14282}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14282 weight  0.11000E+01 volume 82.85250 ppm1 6.643 ppm2 1.266
ASSI { 14302}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14302 weight  0.11000E+01 volume 53.88320 ppm1 6.680 ppm2 1.266
ASSI { 14312}
  (( segid "PTBd" and resid 50  and name HZ2  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14312 weight  0.11000E+01 volume 10.17040 ppm1 5.998 ppm2 1.265
ASSI { 14322}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14322 weight  0.11000E+01 volume 205.58760 ppm1 5.844 ppm2 1.266
ASSI { 14362}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14362 weight  0.11000E+01 volume 9.31340 ppm1 3.044 ppm2 1.266
ASSI { 14372}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14372 weight  0.11000E+01 volume 7.11140 ppm1 2.855 ppm2 1.266
ASSI { 14392}
  (( segid "PTBd" and resid 14  and name HB1  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14392 weight  0.11000E+01 volume 13.70560 ppm1 2.615 ppm2 1.266
ASSI { 14432}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14432 weight  0.11000E+01 volume 65.21480 ppm1 0.784 ppm2 1.266
ASSI { 14442}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 14442 weight  0.11000E+01 volume 304.33331 ppm1 0.621 ppm2 1.266
ASSI { 14452}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 14452 weight  0.11000E+01 volume 34.02070 ppm1 0.620 ppm2 5.000
ASSI { 14462}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14462 weight  0.11000E+01 volume 20.02650 ppm1 5.431 ppm2 0.773
ASSI { 14472}
  (( segid "PTBd" and resid 31  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14472 weight  0.11000E+01 volume 8.75590 ppm1 5.628 ppm2 0.773
ASSI { 14482}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14482 weight  0.11000E+01 volume 45.80310 ppm1 6.798 ppm2 0.773
ASSI { 14492}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14492 weight  0.11000E+01 volume 5.47210 ppm1 7.030 ppm2 0.773
ASSI { 14502}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14502 weight  0.11000E+01 volume 31.99260 ppm1 5.159 ppm2 0.773
ASSI { 14512}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14512 weight  0.11000E+01 volume 20.40010 ppm1 7.031 ppm2 0.772
ASSI { 14522}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14522 weight  0.11000E+01 volume 15.01030 ppm1 6.797 ppm2 0.772
ASSI { 14532}
  (( segid "PTBd" and resid 15  and name HE1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14532 weight  0.11000E+01 volume 51.35250 ppm1 2.967 ppm2 0.772
ASSI { 14542}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14542 weight  0.11000E+01 volume 12.10310 ppm1 2.689 ppm2 0.771
ASSI { 14562}
  (( segid "PTBd" and resid 41  and name HB2  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14562 weight  0.11000E+01 volume 52.15090 ppm1 2.924 ppm2 0.773
ASSI { 14572}
  (( segid "PTBd" and resid 41  and name HB1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14572 weight  0.11000E+01 volume 22.18800 ppm1 3.027 ppm2 0.773
ASSI { 14582}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14582 weight  0.11000E+01 volume 39.19520 ppm1 2.689 ppm2 0.773
ASSI { 14592}
  (( segid "PTBd" and resid 15  and name HB2  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14592 weight  0.11000E+01 volume 38.97380 ppm1 1.850 ppm2 0.772
ASSI { 14602}
  (( segid "PTBd" and resid 15  and name HB1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14602 weight  0.11000E+01 volume 32.84320 ppm1 1.990 ppm2 0.772
ASSI { 14612}
  (( segid "PTBd" and resid 15  and name HG1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14612 weight  0.11000E+01 volume 126.84750 ppm1 1.585 ppm2 0.772
ASSI { 14622}
  (( segid "PTBd" and resid 15  and name HG2  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14622 weight  0.11000E+01 volume 234.79260 ppm1 1.424 ppm2 0.772
ASSI { 14632}
  (( segid "PTBd" and resid 32  and name HG1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14632 weight  0.11000E+01 volume 49.49530 ppm1 2.095 ppm2 0.773
ASSI { 14642}
  (( segid "PTBd" and resid 32  and name HB1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14642 weight  0.11000E+01 volume 11.66030 ppm1 2.231 ppm2 0.773
ASSI { 14652}
  (( segid "PTBd" and resid 15  and name HB1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14652 weight  0.11000E+01 volume 32.54130 ppm1 1.990 ppm2 0.773
ASSI { 14662}
  (( segid "PTBd" and resid 13  and name HD1  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14662 weight  0.11000E+01 volume 127.02670 ppm1 1.450 ppm2 0.773
ASSI { 14672}
  (( segid "PTBd" and resid 13  and name HG2  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 14672 weight  0.11000E+01 volume 30.14110 ppm1 1.006 ppm2 0.773
ASSI { 14682}
  (( segid "PTBd" and resid 30  and name HG12  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 14682 weight  0.11000E+01 volume 60.05740 ppm1 1.229 ppm2 1.791
ASSI { 14692}
  (( segid "PTBd" and resid 30  and name HG11  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 14692 weight  0.11000E+01 volume 86.20160 ppm1 1.498 ppm2 1.791
ASSI { 14702}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 14702 weight  0.11000E+01 volume 36.43260 ppm1 7.030 ppm2 1.790
ASSI { 14712}
  (( segid "PTBd" and resid 41  and name HB2  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 14712 weight  0.11000E+01 volume 37.91710 ppm1 2.929 ppm2 1.790
ASSI { 14722}
  (( segid "PTBd" and resid 41  and name HB1  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 14722 weight  0.11000E+01 volume 17.83890 ppm1 3.035 ppm2 1.790
ASSI { 14732}
  (( segid "PTBd" and resid 15  and name HD1  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 14732 weight  0.11000E+01 volume 132.27180 ppm1 1.761 ppm2 0.772
ASSI { 14742}
  (( segid "PTBd" and resid 58  and name HB2  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 14742 weight  0.11000E+01 volume 23.57410 ppm1 3.189 ppm2 5.315
ASSI { 14752}
  (( segid "PTBd" and resid 67  and name HB1  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 14752 weight  0.11000E+01 volume 26.79210 ppm1 3.250 ppm2 5.475
ASSI { 14762}
  (( segid "PTBd" and resid 29  and name HA1  ))
  (( segid "PTBd" and resid 42  and name HA  ))
     6 6 0 peak 14762 weight  0.11000E+01 volume 17.04310 ppm1 4.561 ppm2 4.752
ASSI { 14772}
  (( segid "PTBd" and resid 29  and name HA2  ))
  (( segid "PTBd" and resid 42  and name HA  ))
     6 6 0 peak 14772 weight  0.11000E+01 volume 33.48500 ppm1 4.102 ppm2 4.752
ASSI { 14782}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 14782 weight  0.11000E+01 volume 18.06590 ppm1 3.817 ppm2 1.247
ASSI { 14792}
  (( segid "PTBd" and resid 97  and name HB  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14792 weight  0.11000E+01 volume 82.57820 ppm1 1.567 ppm2 3.573
ASSI { 14802}
  (( segid "PTBd" and resid 97  and name HG11  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14802 weight  0.11000E+01 volume 84.01880 ppm1 1.691 ppm2 3.573
ASSI { 14812}
  (( segid "PTBd" and resid 97  and name HB  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 14812 weight  0.11000E+01 volume 44.28920 ppm1 1.566 ppm2 3.642
ASSI { 14822}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 14822 weight  0.11000E+01 volume 26.92350 ppm1 0.217 ppm2 1.564
ASSI { 14832}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 14832 weight  0.11000E+01 volume 47.60040 ppm1 3.576 ppm2 1.564
ASSI { 14842}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 14842 weight  0.11000E+01 volume 20.76300 ppm1 3.629 ppm2 1.564
ASSI { 14852}
  (( segid "PTBd" and resid 97  and name HG11  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 14852 weight  0.11000E+01 volume 8.45190 ppm1 1.685 ppm2 3.641
ASSI { 14862}
  (( segid "PTBd" and resid 97  and name HG12  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14862 weight  0.11000E+01 volume 26.28430 ppm1 0.931 ppm2 3.574
ASSI { 14872}
  (( segid "PTBd" and resid 96  and name HB1  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14872 weight  0.11000E+01 volume 18.20440 ppm1 2.100 ppm2 3.573
ASSI { 14882}
  (( segid "PTBd" and resid 100  and name HB2  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14882 weight  0.11000E+01 volume 30.61380 ppm1 2.838 ppm2 3.573
ASSI { 14892}
  (( segid "PTBd" and resid 100  and name HB1  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 14892 weight  0.11000E+01 volume 8.50540 ppm1 2.951 ppm2 3.574
ASSI { 14902}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 14902 weight  0.11000E+01 volume 34.66660 ppm1 0.785 ppm2 5.203
ASSI { 14912}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 14912 weight  0.11000E+01 volume 32.42840 ppm1 5.397 ppm2 1.949
ASSI { 14922}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 14922 weight  0.11000E+01 volume 8.69640 ppm1 5.191 ppm2 1.520
ASSI { 14932}
  (( segid "PTBd" and resid 61  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 14932 weight  0.11000E+01 volume 41.61460 ppm1 2.801 ppm2 1.520
ASSI { 14942}
  (( segid "PTBd" and resid 61  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 14942 weight  0.11000E+01 volume 60.60790 ppm1 2.801 ppm2 1.383
ASSI { 14952}
  (( segid "PTBd" and resid 61  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 14952 weight  0.11000E+01 volume 16.88560 ppm1 2.553 ppm2 1.383
ASSI { 14962}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 14962 weight  0.11000E+01 volume 6.82540 ppm1 0.657 ppm2 1.383
ASSI { 14972}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 14972 weight  0.11000E+01 volume 19.58320 ppm1 0.515 ppm2 1.383
ASSI { 14982}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 14982 weight  0.11000E+01 volume 6.58310 ppm1 0.515 ppm2 1.520
ASSI { 14992}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 14992 weight  0.11000E+01 volume 71.61720 ppm1 5.189 ppm2 0.817
ASSI { 15002}
  (( segid "PTBd" and resid 83  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15002 weight  0.11000E+01 volume 83.91430 ppm1 5.189 ppm2 0.773
ASSI { 15022}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 15022 weight  0.11000E+01 volume 28.02490 ppm1 0.659 ppm2 5.407
ASSI { 15032}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 15032 weight  0.11000E+01 volume 8.63650 ppm1 0.515 ppm2 5.407
ASSI { 15042}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 15042 weight  0.11000E+01 volume 9.35690 ppm1 0.600 ppm2 5.407
ASSI { 15052}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HG11  ))
     6 6 0 peak 15052 weight  0.11000E+01 volume 36.60340 ppm1 0.224 ppm2 1.473
ASSI { 15062}
  (( segid "FGFR" and resid 215  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15062 weight  0.11000E+01 volume 17.78520 ppm1 4.355 ppm2 0.817
ASSI { 15072}
  (( segid "FGFR" and resid 215  and name HA  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15072 weight  0.11000E+01 volume 24.89420 ppm1 4.355 ppm2 0.773
ASSI { 15082}
  (( segid "PTBd" and resid 66  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15082 weight  0.11000E+01 volume 16.45360 ppm1 3.447 ppm2 0.773
ASSI { 15092}
  (( segid "PTBd" and resid 66  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15092 weight  0.11000E+01 volume 76.29620 ppm1 3.231 ppm2 0.773
ASSI { 15102}
  (( segid "PTBd" and resid 66  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15102 weight  0.11000E+01 volume 21.55800 ppm1 3.447 ppm2 0.817
ASSI { 15122}
  (( segid "PTBd" and resid 61  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15122 weight  0.11000E+01 volume 65.98140 ppm1 2.802 ppm2 0.773
ASSI { 15132}
  (( segid "PTBd" and resid 61  and name HB2  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15132 weight  0.11000E+01 volume 48.70010 ppm1 2.553 ppm2 0.773
ASSI { 15142}
  (( segid "PTBd" and resid 61  and name HB1  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15142 weight  0.11000E+01 volume 93.31890 ppm1 2.802 ppm2 0.817
ASSI { 15172}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15172 weight  0.11000E+01 volume 104.93980 ppm1 1.145 ppm2 0.817
ASSI { 15182}
  (( segid "PTBd" and resid 81  and name HB#  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15182 weight  0.11000E+01 volume 122.04730 ppm1 1.145 ppm2 0.773
ASSI { 15202}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15202 weight  0.11000E+01 volume 87.20780 ppm1 0.515 ppm2 0.817
ASSI { 15212}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 15212 weight  0.11000E+01 volume 626.75928 ppm1 0.657 ppm2 0.817
ASSI { 15222}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15222 weight  0.11000E+01 volume 232.35229 ppm1 0.515 ppm2 0.773
ASSI { 15232}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 15232 weight  0.11000E+01 volume 370.70010 ppm1 0.657 ppm2 0.773
ASSI { 15252}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 15252 weight  0.11000E+01 volume 13.79590 ppm1 0.566 ppm2 4.683
ASSI { 15262}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 15262 weight  0.11000E+01 volume 12.66780 ppm1 1.070 ppm2 4.684
ASSI { 15272}
  (( segid "PTBd" and resid 39  and name HG11  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 15272 weight  0.11000E+01 volume 15.27930 ppm1 1.465 ppm2 4.684
ASSI { 15282}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 15282 weight  0.11000E+01 volume 49.60270 ppm1 5.279 ppm2 4.684
ASSI { 15292}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15292 weight  0.11000E+01 volume 25.19530 ppm1 5.280 ppm2 0.750
ASSI { 15302}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15302 weight  0.11000E+01 volume 82.08570 ppm1 5.280 ppm2 0.230
ASSI { 15312}
  (( segid "PTBd" and resid 47  and name HA  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15312 weight  0.11000E+01 volume 39.77280 ppm1 5.146 ppm2 0.230
ASSI { 15322}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15322 weight  0.11000E+01 volume 7.75120 ppm1 4.886 ppm2 0.750
ASSI { 15332}
  (( segid "PTBd" and resid 34  and name HA  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15332 weight  0.11000E+01 volume 6.52740 ppm1 4.960 ppm2 0.750
ASSI { 15342}
  (( segid "PTBd" and resid 49  and name HE1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15342 weight  0.11000E+01 volume 35.29480 ppm1 2.692 ppm2 0.750
ASSI { 15352}
  (( segid "PTBd" and resid 32  and name HB1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15352 weight  0.11000E+01 volume 26.48580 ppm1 2.231 ppm2 0.750
ASSI { 15382}
  (( segid "PTBd" and resid 39  and name HG11  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 15382 weight  0.11000E+01 volume 119.73340 ppm1 1.465 ppm2 1.631
ASSI { 15392}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 15392 weight  0.11000E+01 volume 31.01520 ppm1 0.566 ppm2 1.631
ASSI { 15402}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 15402 weight  0.11000E+01 volume 38.66480 ppm1 6.798 ppm2 1.631
ASSI { 15412}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 39  and name HG12  ))
     6 6 0 peak 15412 weight  0.11000E+01 volume 38.15190 ppm1 1.070 ppm2 0.569
ASSI { 15422}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HG12  ))
     6 6 0 peak 15422 weight  0.11000E+01 volume 49.33650 ppm1 1.193 ppm2 0.569
ASSI { 15432}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15432 weight  0.11000E+01 volume 44.96250 ppm1 6.799 ppm2 0.230
ASSI { 15442}
  (( segid "PTBd" and resid 47  and name HB1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15442 weight  0.11000E+01 volume 46.51010 ppm1 3.610 ppm2 0.230
ASSI { 15452}
  (( segid "PTBd" and resid 47  and name HB2  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15452 weight  0.11000E+01 volume 14.42180 ppm1 3.352 ppm2 0.230
ASSI { 15462}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15462 weight  0.11000E+01 volume 26.23630 ppm1 7.031 ppm2 0.230
ASSI { 15472}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15472 weight  0.11000E+01 volume 7.96960 ppm1 7.031 ppm2 0.750
ASSI { 15482}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15482 weight  0.11000E+01 volume 31.30230 ppm1 6.798 ppm2 0.750
ASSI { 15492}
  (( segid "PTBd" and resid 47  and name HB2  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15492 weight  0.11000E+01 volume 7.34840 ppm1 3.354 ppm2 0.749
ASSI { 15502}
  (( segid "PTBd" and resid 49  and name HE1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15502 weight  0.11000E+01 volume 70.30740 ppm1 2.692 ppm2 0.230
ASSI { 15512}
  (( segid "PTBd" and resid 32  and name HB1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15512 weight  0.11000E+01 volume 24.54740 ppm1 2.231 ppm2 0.229
ASSI { 15532}
  (( segid "PTBd" and resid 32  and name HB2  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15532 weight  0.11000E+01 volume 18.02790 ppm1 1.829 ppm2 0.229
ASSI { 15572}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15572 weight  0.11000E+01 volume 55.92700 ppm1 1.196 ppm2 0.229
ASSI { 15582}
  (( segid "PTBd" and resid 49  and name HB1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15582 weight  0.11000E+01 volume 120.13650 ppm1 1.398 ppm2 0.229
ASSI { 15592}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 15592 weight  0.11000E+01 volume 161.35451 ppm1 1.074 ppm2 0.229
ASSI { 15612}
  (( segid "PTBd" and resid 49  and name HB1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15612 weight  0.11000E+01 volume 218.07941 ppm1 1.398 ppm2 0.750
ASSI { 15622}
  (( segid "PTBd" and resid 34  and name HG2#  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15622 weight  0.11000E+01 volume 411.11911 ppm1 1.195 ppm2 0.749
ASSI { 15632}
  (( segid "PTBd" and resid 49  and name HG1  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15632 weight  0.11000E+01 volume 112.77180 ppm1 1.074 ppm2 0.749
ASSI { 15642}
  (( segid "PTBd" and resid 32  and name HB2  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 15642 weight  0.11000E+01 volume 18.12710 ppm1 1.829 ppm2 0.750
ASSI { 15652}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 15652 weight  0.11000E+01 volume 13.80760 ppm1 7.451 ppm2 5.281
ASSI { 15662}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 15662 weight  0.11000E+01 volume 16.54590 ppm1 1.083 ppm2 3.983
ASSI { 15672}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 15672 weight  0.11000E+01 volume 62.62540 ppm1 1.023 ppm2 3.982
ASSI { 15682}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 15682 weight  0.11000E+01 volume 87.26660 ppm1 1.024 ppm2 1.445
ASSI { 15692}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 15692 weight  0.11000E+01 volume 30.13000 ppm1 1.084 ppm2 1.445
ASSI { 15702}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 15702 weight  0.11000E+01 volume 125.24540 ppm1 2.062 ppm2 1.445
ASSI { 15712}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 15712 weight  0.11000E+01 volume 11.51400 ppm1 6.680 ppm2 1.445
ASSI { 15722}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 15722 weight  0.11000E+01 volume 10.16330 ppm1 6.633 ppm2 1.445
ASSI { 15732}
  (( segid "PTBd" and resid 37  and name HA  ))
  (( segid "PTBd" and resid 37  and name HB2  ))
     6 6 0 peak 15732 weight  0.11000E+01 volume 114.69500 ppm1 4.481 ppm2 1.444
ASSI { 15742}
  (( segid "PTBd" and resid 50  and name HZ2  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15742 weight  0.11000E+01 volume 13.82720 ppm1 5.998 ppm2 0.567
ASSI { 15752}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15752 weight  0.11000E+01 volume 49.77240 ppm1 6.638 ppm2 0.567
ASSI { 15762}
  (( segid "PTBd" and resid 50  and name HE3  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15762 weight  0.11000E+01 volume 12.52430 ppm1 6.680 ppm2 0.567
ASSI { 15772}
  (( segid "PTBd" and resid 47  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15772 weight  0.11000E+01 volume 39.54040 ppm1 5.146 ppm2 0.567
ASSI { 15782}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15782 weight  0.11000E+01 volume 12.44260 ppm1 5.281 ppm2 -0.063
ASSI { 15792}
  (( segid "PTBd" and resid 75  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15792 weight  0.11000E+01 volume 17.35020 ppm1 4.474 ppm2 0.567
ASSI { 15802}
  (( segid "FGFR" and resid 205  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15802 weight  0.11000E+01 volume 12.94780 ppm1 4.289 ppm2 0.567
ASSI { 15812}
  (( segid "PTBd" and resid 75  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15812 weight  0.11000E+01 volume 36.95140 ppm1 4.473 ppm2 -0.063
ASSI { 15822}
  (( segid "PTBd" and resid 75  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15822 weight  0.11000E+01 volume 24.19420 ppm1 4.156 ppm2 -0.063
ASSI { 15832}
  (( segid "FGFR" and resid 205  and name HA  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15832 weight  0.11000E+01 volume 15.17850 ppm1 4.289 ppm2 -0.063
ASSI { 15842}
  (( segid "PTBd" and resid 74  and name HG1  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15842 weight  0.11000E+01 volume 28.25710 ppm1 2.341 ppm2 -0.063
ASSI { 15852}
  (( segid "PTBd" and resid 74  and name HG2  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15852 weight  0.11000E+01 volume 16.95480 ppm1 2.269 ppm2 -0.063
ASSI { 15862}
  (( segid "PTBd" and resid 74  and name HB1  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15862 weight  0.11000E+01 volume 24.38490 ppm1 2.150 ppm2 -0.063
ASSI { 15872}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15872 weight  0.11000E+01 volume 66.87270 ppm1 2.062 ppm2 -0.063
ASSI { 15882}
  (( segid "PTBd" and resid 74  and name HB2  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15882 weight  0.11000E+01 volume 24.72140 ppm1 1.931 ppm2 -0.063
ASSI { 15892}
  (( segid "PTBd" and resid 74  and name HG2  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15892 weight  0.11000E+01 volume 6.83820 ppm1 2.269 ppm2 0.567
ASSI { 15902}
  (( segid "FGFR" and resid 203  and name HG1  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15902 weight  0.11000E+01 volume 6.76420 ppm1 2.371 ppm2 0.567
ASSI { 15912}
  (( segid "FGFR" and resid 204  and name HG1  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15912 weight  0.11000E+01 volume 11.38870 ppm1 2.569 ppm2 0.567
ASSI { 15922}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15922 weight  0.11000E+01 volume 61.53410 ppm1 2.062 ppm2 0.567
ASSI { 15932}
  (( segid "PTBd" and resid 74  and name HB1  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 15932 weight  0.11000E+01 volume 6.17280 ppm1 2.150 ppm2 0.567
ASSI { 15942}
  (( segid "PTBd" and resid 14  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 15942 weight  0.11000E+01 volume 282.15250 ppm1 2.619 ppm2 0.795
ASSI { 15962}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15962 weight  0.11000E+01 volume 58.05740 ppm1 1.360 ppm2 -0.063
ASSI { 15972}
  (( segid "PTBd" and resid 42  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15972 weight  0.11000E+01 volume 64.84040 ppm1 1.261 ppm2 -0.063
ASSI { 15982}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15982 weight  0.11000E+01 volume 380.75461 ppm1 1.083 ppm2 -0.063
ASSI { 15992}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 15992 weight  0.11000E+01 volume 24.95810 ppm1 0.705 ppm2 -0.062
ASSI { 16002}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 16002 weight  0.11000E+01 volume 201.67990 ppm1 1.361 ppm2 0.567
ASSI { 16012}
  (( segid "PTBd" and resid 42  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 16012 weight  0.11000E+01 volume 119.53570 ppm1 1.261 ppm2 0.567
ASSI { 16022}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 16022 weight  0.11000E+01 volume 161.30499 ppm1 1.084 ppm2 0.567
ASSI { 16032}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 16032 weight  0.11000E+01 volume 31.98630 ppm1 0.223 ppm2 3.349
ASSI { 16042}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 16042 weight  0.11000E+01 volume 48.75280 ppm1 0.223 ppm2 3.599
ASSI { 16052}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 16052 weight  0.11000E+01 volume 9.10630 ppm1 0.224 ppm2 5.151
ASSI { 16062}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 16062 weight  0.11000E+01 volume 7.72780 ppm1 0.558 ppm2 5.151
ASSI { 16072}
  (( segid "PTBd" and resid 41  and name HD1  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 16072 weight  0.11000E+01 volume 18.44300 ppm1 7.027 ppm2 3.599
ASSI { 16082}
  (( segid "PTBd" and resid 41  and name HE1  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 16082 weight  0.11000E+01 volume 32.93910 ppm1 6.797 ppm2 3.599
ASSI { 16092}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 16092 weight  0.11000E+01 volume 10.93590 ppm1 5.083 ppm2 3.349
ASSI { 16102}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 16102 weight  0.11000E+01 volume 29.68760 ppm1 5.083 ppm2 3.599
ASSI { 16112}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 33  and name HB1  ))
     6 6 0 peak 16112 weight  0.11000E+01 volume 32.28550 ppm1 5.007 ppm2 1.702
ASSI { 16122}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 33  and name HB2  ))
     6 6 0 peak 16122 weight  0.11000E+01 volume 19.57820 ppm1 5.007 ppm2 1.600
ASSI { 16132}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16132 weight  0.11000E+01 volume 37.50910 ppm1 5.009 ppm2 0.410
ASSI { 16142}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16142 weight  0.11000E+01 volume 17.10080 ppm1 5.010 ppm2 0.299
ASSI { 16152}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 16152 weight  0.11000E+01 volume 13.30710 ppm1 0.406 ppm2 5.001
ASSI { 16162}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 16162 weight  0.11000E+01 volume 3.20270 ppm1 0.291 ppm2 5.001
ASSI { 16172}
  (( segid "PTBd" and resid 38  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16172 weight  0.11000E+01 volume 51.91420 ppm1 4.886 ppm2 0.659
ASSI { 16182}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 16182 weight  0.11000E+01 volume 28.66090 ppm1 0.657 ppm2 4.891
ASSI { 16192}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 16192 weight  0.11000E+01 volume 42.03810 ppm1 6.403 ppm2 1.588
ASSI { 16202}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 16202 weight  0.11000E+01 volume 42.23280 ppm1 7.451 ppm2 1.588
ASSI { 16212}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 16212 weight  0.11000E+01 volume 22.28830 ppm1 7.451 ppm2 1.724
ASSI { 16222}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 16222 weight  0.11000E+01 volume 113.80950 ppm1 6.407 ppm2 1.494
ASSI { 16232}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 16232 weight  0.11000E+01 volume 41.71180 ppm1 6.648 ppm2 1.494
ASSI { 16242}
  (( segid "PTBd" and resid 50  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 16242 weight  0.11000E+01 volume 17.68840 ppm1 3.027 ppm2 1.588
ASSI { 16252}
  (( segid "PTBd" and resid 50  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 16252 weight  0.11000E+01 volume 16.45200 ppm1 3.027 ppm2 1.724
ASSI { 16262}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16262 weight  0.11000E+01 volume 27.08040 ppm1 5.845 ppm2 0.409
ASSI { 16272}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16272 weight  0.11000E+01 volume 40.48790 ppm1 5.845 ppm2 0.299
ASSI { 16282}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16282 weight  0.11000E+01 volume 23.07040 ppm1 6.762 ppm2 0.410
ASSI { 16292}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16292 weight  0.11000E+01 volume 67.14330 ppm1 6.643 ppm2 0.410
ASSI { 16302}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16302 weight  0.11000E+01 volume 22.01870 ppm1 6.406 ppm2 0.410
ASSI { 16312}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16312 weight  0.11000E+01 volume 37.71100 ppm1 6.762 ppm2 0.298
ASSI { 16322}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16322 weight  0.11000E+01 volume 73.24690 ppm1 6.643 ppm2 0.299
ASSI { 16332}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16332 weight  0.11000E+01 volume 36.35010 ppm1 6.405 ppm2 0.299
ASSI { 16342}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16342 weight  0.11000E+01 volume 54.60680 ppm1 7.111 ppm2 0.410
ASSI { 16352}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16352 weight  0.11000E+01 volume 56.97580 ppm1 7.112 ppm2 0.299
ASSI { 16362}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16362 weight  0.11000E+01 volume 19.45190 ppm1 7.451 ppm2 0.298
ASSI { 16372}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16372 weight  0.11000E+01 volume 26.33200 ppm1 7.451 ppm2 0.410
ASSI { 16382}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16382 weight  0.11000E+01 volume 13.51740 ppm1 4.306 ppm2 0.409
ASSI { 16392}
  (( segid "PTBd" and resid 53  and name HA  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16392 weight  0.11000E+01 volume 12.17460 ppm1 4.306 ppm2 0.299
ASSI { 16402}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16402 weight  0.11000E+01 volume 20.86900 ppm1 3.015 ppm2 0.299
ASSI { 16412}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16412 weight  0.11000E+01 volume 11.93940 ppm1 3.015 ppm2 0.409
ASSI { 16422}
  (( segid "PTBd" and resid 52  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16422 weight  0.11000E+01 volume 10.63370 ppm1 2.608 ppm2 0.299
ASSI { 16432}
  (( segid "PTBd" and resid 52  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16432 weight  0.11000E+01 volume 1.64310 ppm1 2.608 ppm2 0.409
ASSI { 16442}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16442 weight  0.11000E+01 volume 62.06750 ppm1 2.081 ppm2 0.410
ASSI { 16452}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16452 weight  0.11000E+01 volume 60.33940 ppm1 1.929 ppm2 0.410
ASSI { 16462}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16462 weight  0.11000E+01 volume 33.58570 ppm1 1.861 ppm2 0.409
ASSI { 16472}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16472 weight  0.11000E+01 volume 57.39070 ppm1 2.080 ppm2 0.299
ASSI { 16482}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16482 weight  0.11000E+01 volume 53.43250 ppm1 1.930 ppm2 0.299
ASSI { 16492}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16492 weight  0.11000E+01 volume 22.32250 ppm1 1.864 ppm2 0.299
ASSI { 16502}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16502 weight  0.11000E+01 volume 101.47070 ppm1 -0.047 ppm2 0.299
ASSI { 16512}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16512 weight  0.11000E+01 volume 47.30110 ppm1 -0.047 ppm2 0.410
ASSI { 16522}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16522 weight  0.11000E+01 volume 145.26961 ppm1 0.217 ppm2 0.299
ASSI { 16532}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16532 weight  0.11000E+01 volume 75.33020 ppm1 0.217 ppm2 0.410
ASSI { 16542}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16542 weight  0.11000E+01 volume 171.93990 ppm1 0.664 ppm2 0.410
ASSI { 16552}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 16552 weight  0.11000E+01 volume 32.04660 ppm1 0.752 ppm2 0.410
ASSI { 16562}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16562 weight  0.11000E+01 volume 141.99730 ppm1 0.752 ppm2 0.299
ASSI { 16572}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 16572 weight  0.11000E+01 volume 279.14880 ppm1 0.655 ppm2 0.299
ASSI { 16592}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16592 weight  0.11000E+01 volume 16.09600 ppm1 5.431 ppm2 0.659
ASSI { 16602}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16602 weight  0.11000E+01 volume 94.28780 ppm1 6.406 ppm2 0.659
ASSI { 16612}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16612 weight  0.11000E+01 volume 25.79050 ppm1 6.764 ppm2 0.659
ASSI { 16622}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16622 weight  0.11000E+01 volume 76.19490 ppm1 6.922 ppm2 0.660
ASSI { 16642}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16642 weight  0.11000E+01 volume 17.44020 ppm1 7.070 ppm2 0.659
ASSI { 16672}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16672 weight  0.11000E+01 volume 22.88330 ppm1 7.025 ppm2 0.659
ASSI { 16682}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16682 weight  0.11000E+01 volume 22.51300 ppm1 4.108 ppm2 0.659
ASSI { 16692}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16692 weight  0.11000E+01 volume 60.91290 ppm1 3.634 ppm2 0.659
ASSI { 16702}
  (( segid "PTBd" and resid 12  and name HB1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16702 weight  0.11000E+01 volume 12.15230 ppm1 3.260 ppm2 0.659
ASSI { 16712}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16712 weight  0.11000E+01 volume 74.81450 ppm1 3.001 ppm2 0.659
ASSI { 16722}
  (( segid "PTBd" and resid 93  and name HG1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16722 weight  0.11000E+01 volume 126.78580 ppm1 2.661 ppm2 0.659
ASSI { 16732}
  (( segid "PTBd" and resid 93  and name HG2  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16732 weight  0.11000E+01 volume 41.67210 ppm1 2.483 ppm2 0.659
ASSI { 16742}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16742 weight  0.11000E+01 volume 254.03101 ppm1 2.088 ppm2 0.659
ASSI { 16752}
  (( segid "PTBd" and resid 93  and name HB1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16752 weight  0.11000E+01 volume 101.28020 ppm1 2.197 ppm2 0.659
ASSI { 16762}
  (( segid "PTBd" and resid 93  and name HB2  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16762 weight  0.11000E+01 volume 213.52240 ppm1 1.973 ppm2 0.659
ASSI { 16772}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16772 weight  0.11000E+01 volume 113.05070 ppm1 1.496 ppm2 0.659
ASSI { 16782}
  (( segid "PTBd" and resid 94  and name HB1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16782 weight  0.11000E+01 volume 41.5399 ppm1 1.261 ppm2 0.659
ASSI { 16792}
  (( segid "PTBd" and resid 94  and name HB2  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16792 weight  0.11000E+01 volume 13.0756 ppm1 0.963 ppm2 0.659
ASSI { 16802}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16802 weight  0.11000E+01 volume 133.06940 ppm1 0.406 ppm2 0.659
ASSI { 16812}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16812 weight  0.11000E+01 volume 194.16119 ppm1 0.291 ppm2 0.659
ASSI { 16822}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16822 weight  0.11000E+01 volume 219.82520 ppm1 0.217 ppm2 0.659
ASSI { 16832}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16832 weight  0.11000E+01 volume 19.26270 ppm1 -0.258 ppm2 0.659
ASSI { 16842}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16842 weight  0.11000E+01 volume 147.17349 ppm1 -0.590 ppm2 0.659
ASSI { 16852}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 16852 weight  0.11000E+01 volume 386.47421 ppm1 0.656 ppm2 -0.585
ASSI { 16862}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 16862 weight  0.11000E+01 volume 330.46661 ppm1 0.656 ppm2 -0.247
ASSI { 16872}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 16872 weight  0.11000E+01 volume 21.19620 ppm1 0.407 ppm2 -0.585
ASSI { 16882}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 16882 weight  0.11000E+01 volume 58.10700 ppm1 0.406 ppm2 -0.247
ASSI { 16892}
  (( segid "PTBd" and resid 90  and name HG  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16892 weight  0.11000E+01 volume 33.65140 ppm1 -0.200 ppm2 0.659
ASSI { 16902}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 16902 weight  0.11000E+01 volume 89.62690 ppm1 -0.047 ppm2 0.659
ASSI { 16912}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 16912 weight  0.11000E+01 volume 199.58450 ppm1 0.657 ppm2 -0.041
ASSI { 16922}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 16922 weight  0.11000E+01 volume 88.28770 ppm1 1.860 ppm2 0.209
ASSI { 16932}
  (( segid "PTBd" and resid 33  and name HG  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 16932 weight  0.11000E+01 volume 65.04160 ppm1 1.698 ppm2 0.209
ASSI { 16942}
  (( segid "PTBd" and resid 97  and name HB  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 16942 weight  0.11000E+01 volume 48.30630 ppm1 1.569 ppm2 0.209
ASSI { 16952}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 16952 weight  0.11000E+01 volume 226.75040 ppm1 0.658 ppm2 0.209
ASSI { 16962}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 16962 weight  0.11000E+01 volume 16.79070 ppm1 -0.589 ppm2 0.209
ASSI { 16972}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 16972 weight  0.11000E+01 volume 62.28610 ppm1 -0.047 ppm2 -0.584
ASSI { 16982}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 16982 weight  0.11000E+01 volume 94.23570 ppm1 0.216 ppm2 -0.584
ASSI { 16992}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 16992 weight  0.11000E+01 volume 76.04380 ppm1 0.786 ppm2 -0.584
ASSI { 17002}
  (( segid "PTBd" and resid 94  and name HB2  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17002 weight  0.11000E+01 volume 15.40640 ppm1 0.979 ppm2 -0.584
ASSI { 17012}
  (( segid "PTBd" and resid 33  and name HG  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17012 weight  0.11000E+01 volume 49.16910 ppm1 1.692 ppm2 -0.584
ASSI { 17022}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17022 weight  0.11000E+01 volume 18.59310 ppm1 1.809 ppm2 -0.584
ASSI { 17032}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17032 weight  0.11000E+01 volume 31.23270 ppm1 1.929 ppm2 -0.584
ASSI { 17042}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17042 weight  0.11000E+01 volume 16.42090 ppm1 2.081 ppm2 -0.584
ASSI { 17062}
  (( segid "PTBd" and resid 65  and name HB2  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17062 weight  0.11000E+01 volume 58.62480 ppm1 2.799 ppm2 -0.584
ASSI { 17072}
  (( segid "PTBd" and resid 65  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17072 weight  0.11000E+01 volume 33.34660 ppm1 3.130 ppm2 -0.584
ASSI { 17082}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17082 weight  0.11000E+01 volume 26.54880 ppm1 3.824 ppm2 -0.584
ASSI { 17102}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17102 weight  0.11000E+01 volume 25.26350 ppm1 6.919 ppm2 -0.584
ASSI { 17112}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17112 weight  0.11000E+01 volume 117.45520 ppm1 7.111 ppm2 -0.584
ASSI { 17122}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 17122 weight  0.11000E+01 volume 30.83060 ppm1 7.248 ppm2 -0.584
ASSI { 17132}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17132 weight  0.11000E+01 volume 35.46240 ppm1 -0.590 ppm2 -0.040
ASSI { 17142}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17142 weight  0.11000E+01 volume 47.12250 ppm1 -0.258 ppm2 -0.040
ASSI { 17152}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17152 weight  0.11000E+01 volume 97.88650 ppm1 0.216 ppm2 -0.247
ASSI { 17162}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17162 weight  0.11000E+01 volume 115.59290 ppm1 -0.047 ppm2 -0.247
ASSI { 17172}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17172 weight  0.11000E+01 volume 62.02410 ppm1 0.407 ppm2 -0.041
ASSI { 17182}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17182 weight  0.11000E+01 volume 133.55510 ppm1 0.292 ppm2 -0.041
ASSI { 17192}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17192 weight  0.11000E+01 volume 1120.98523 ppm1 0.292 ppm2 0.209
ASSI { 17202}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17202 weight  0.11000E+01 volume 344.88129 ppm1 0.408 ppm2 0.209
ASSI { 17212}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 17212 weight  0.11000E+01 volume 9.66280 ppm1 0.594 ppm2 3.642
ASSI { 17222}
  (( segid "PTBd" and resid 97  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 17222 weight  0.11000E+01 volume 35.23980 ppm1 0.697 ppm2 3.642
ASSI { 17232}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 17232 weight  0.11000E+01 volume 23.83470 ppm1 0.656 ppm2 0.976
ASSI { 17242}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 17242 weight  0.11000E+01 volume 60.76840 ppm1 0.656 ppm2 1.248
ASSI { 17252}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17252 weight  0.11000E+01 volume 36.53800 ppm1 3.825 ppm2 -0.040
ASSI { 17262}
  (( segid "PTBd" and resid 58  and name HB2  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17262 weight  0.11000E+01 volume 15.02500 ppm1 3.199 ppm2 -0.039
ASSI { 17272}
  (( segid "PTBd" and resid 97  and name HG11  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17272 weight  0.11000E+01 volume 39.73400 ppm1 1.691 ppm2 -0.041
ASSI { 17282}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17282 weight  0.11000E+01 volume 59.60310 ppm1 1.859 ppm2 -0.041
ASSI { 17292}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17292 weight  0.11000E+01 volume 29.17550 ppm1 2.651 ppm2 0.209
ASSI { 17302}
  (( segid "PTBd" and resid 98  and name HG2  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17302 weight  0.11000E+01 volume 41.39970 ppm1 2.212 ppm2 0.209
ASSI { 17312}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17312 weight  0.11000E+01 volume 11.51550 ppm1 1.496 ppm2 0.209
ASSI { 17322}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17322 weight  0.11000E+01 volume 53.96630 ppm1 0.613 ppm2 0.209
ASSI { 17332}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17332 weight  0.11000E+01 volume 62.61590 ppm1 6.178 ppm2 -0.039
ASSI { 17342}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17342 weight  0.11000E+01 volume 27.28570 ppm1 6.405 ppm2 -0.039
ASSI { 17352}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17352 weight  0.11000E+01 volume 27.64960 ppm1 6.643 ppm2 -0.039
ASSI { 17362}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17362 weight  0.11000E+01 volume 126.88250 ppm1 6.762 ppm2 -0.039
ASSI { 17372}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 17372 weight  0.11000E+01 volume 100.21360 ppm1 7.111 ppm2 -0.039
ASSI { 17382}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17382 weight  0.11000E+01 volume 54.41680 ppm1 6.643 ppm2 0.209
ASSI { 17392}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17392 weight  0.11000E+01 volume 46.51950 ppm1 6.762 ppm2 0.209
ASSI { 17402}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17402 weight  0.11000E+01 volume 23.13310 ppm1 7.112 ppm2 0.208
ASSI { 17412}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17412 weight  0.11000E+01 volume 112.69770 ppm1 6.405 ppm2 0.210
ASSI { 17422}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 17422 weight  0.11000E+01 volume 13.96100 ppm1 6.178 ppm2 0.209
ASSI { 17432}
  (( segid "PTBd" and resid 14  and name HZ  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 17432 weight  0.11000E+01 volume 39.69490 ppm1 7.070 ppm2 3.011
ASSI { 17442}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 17442 weight  0.11000E+01 volume 29.92640 ppm1 7.027 ppm2 3.011
ASSI { 17452}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 17452 weight  0.11000E+01 volume 30.61640 ppm1 0.657 ppm2 3.010
ASSI { 17462}
  (( segid "PTBd" and resid 90  and name HG  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 17462 weight  0.11000E+01 volume 22.00640 ppm1 -0.200 ppm2 3.010
ASSI { 17472}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17472 weight  0.11000E+01 volume 79.72260 ppm1 0.786 ppm2 -0.247
ASSI { 17502}
  (( segid "PTBd" and resid 33  and name HG  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17502 weight  0.11000E+01 volume 21.65610 ppm1 1.691 ppm2 -0.247
ASSI { 17512}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17512 weight  0.11000E+01 volume 31.03720 ppm1 1.809 ppm2 -0.247
ASSI { 17522}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17522 weight  0.11000E+01 volume 68.62870 ppm1 1.928 ppm2 -0.247
ASSI { 17532}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17532 weight  0.11000E+01 volume 55.81690 ppm1 2.081 ppm2 -0.247
ASSI { 17542}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17542 weight  0.11000E+01 volume 23.41800 ppm1 2.250 ppm2 -0.247
ASSI { 17552}
  (( segid "PTBd" and resid 65  and name HB2  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17552 weight  0.11000E+01 volume 19.83470 ppm1 2.799 ppm2 -0.247
ASSI { 17562}
  (( segid "PTBd" and resid 65  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17562 weight  0.11000E+01 volume 37.67010 ppm1 3.131 ppm2 -0.247
ASSI { 17572}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17572 weight  0.11000E+01 volume 26.82400 ppm1 7.111 ppm2 -0.247
ASSI { 17582}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 17582 weight  0.11000E+01 volume 25.68350 ppm1 7.248 ppm2 -0.247
ASSI { 17592}
  (( segid "PTBd" and resid 65  and name HB1  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17592 weight  0.11000E+01 volume 216.19231 ppm1 3.131 ppm2 1.811
ASSI { 17602}
  (( segid "PTBd" and resid 60  and name HB2  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17602 weight  0.11000E+01 volume 55.32300 ppm1 2.943 ppm2 1.811
ASSI { 17612}
  (( segid "PTBd" and resid 65  and name HB2  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17612 weight  0.11000E+01 volume 67.57110 ppm1 2.803 ppm2 1.812
ASSI { 17622}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17622 weight  0.11000E+01 volume 10.91730 ppm1 2.632 ppm2 1.812
ASSI { 17632}
  (( segid "PTBd" and resid 84  and name HB2  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17632 weight  0.11000E+01 volume 49.79700 ppm1 2.298 ppm2 1.812
ASSI { 17642}
  (( segid "PTBd" and resid 62  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17642 weight  0.11000E+01 volume 7.55530 ppm1 4.239 ppm2 1.812
ASSI { 17652}
  (( segid "PTBd" and resid 60  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17652 weight  0.11000E+01 volume 31.64300 ppm1 5.756 ppm2 1.812
ASSI { 17662}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17662 weight  0.11000E+01 volume 40.29130 ppm1 5.559 ppm2 1.812
ASSI { 17672}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17672 weight  0.11000E+01 volume 13.23060 ppm1 5.397 ppm2 1.812
ASSI { 17682}
  (( segid "PTBd" and resid 63  and name HA  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17682 weight  0.11000E+01 volume 56.09380 ppm1 5.166 ppm2 1.812
ASSI { 17692}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17692 weight  0.11000E+01 volume 98.82160 ppm1 6.451 ppm2 1.811
ASSI { 17702}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17702 weight  0.11000E+01 volume 23.07680 ppm1 6.339 ppm2 1.812
ASSI { 17722}
  (( segid "PTBd" and resid 65  and name HD1  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17722 weight  0.11000E+01 volume 14.87630 ppm1 7.248 ppm2 1.812
ASSI { 17742}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17742 weight  0.11000E+01 volume 32.30840 ppm1 -0.258 ppm2 1.812
ASSI { 17752}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 17752 weight  0.11000E+01 volume 6.23650 ppm1 -0.589 ppm2 1.812
ASSI { 17762}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17762 weight  0.11000E+01 volume 29.34940 ppm1 3.044 ppm2 0.615
ASSI { 17772}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17772 weight  0.11000E+01 volume 25.56970 ppm1 2.856 ppm2 0.615
ASSI { 17792}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17792 weight  0.11000E+01 volume 39.64080 ppm1 2.073 ppm2 0.615
ASSI { 17802}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17802 weight  0.11000E+01 volume 90.09150 ppm1 1.924 ppm2 0.615
ASSI { 17812}
  (( segid "PTBd" and resid 30  and name HA  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17812 weight  0.11000E+01 volume 28.96600 ppm1 4.989 ppm2 0.615
ASSI { 17822}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17822 weight  0.11000E+01 volume 137.65880 ppm1 7.107 ppm2 0.615
ASSI { 17832}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17832 weight  0.11000E+01 volume 38.04730 ppm1 7.259 ppm2 0.615
ASSI { 17842}
  (( segid "PTBd" and resid 31  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17842 weight  0.11000E+01 volume 57.36280 ppm1 1.544 ppm2 0.615
ASSI { 17852}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17852 weight  0.11000E+01 volume 196.36971 ppm1 1.258 ppm2 0.615
ASSI { 17862}
  (( segid "PTBd" and resid 40  and name HD1#  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17862 weight  0.11000E+01 volume 41.81860 ppm1 1.024 ppm2 0.615
ASSI { 17872}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17872 weight  0.11000E+01 volume 55.45580 ppm1 -0.258 ppm2 0.795
ASSI { 17882}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17882 weight  0.11000E+01 volume 6.18190 ppm1 -0.590 ppm2 0.795
ASSI { 17892}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17892 weight  0.11000E+01 volume 72.75760 ppm1 1.258 ppm2 0.795
ASSI { 17902}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17902 weight  0.11000E+01 volume 512.39899 ppm1 0.704 ppm2 0.615
ASSI { 17912}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 17912 weight  0.11000E+01 volume 49.99190 ppm1 2.856 ppm2 2.280
ASSI { 17922}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 17922 weight  0.11000E+01 volume 21.08270 ppm1 3.043 ppm2 2.280
ASSI { 17932}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 17932 weight  0.11000E+01 volume 87.76400 ppm1 7.111 ppm2 2.279
ASSI { 17942}
  (( segid "PTBd" and resid 31  and name HG2  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17942 weight  0.11000E+01 volume 192.77229 ppm1 1.924 ppm2 0.795
ASSI { 17952}
  (( segid "PTBd" and resid 31  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17952 weight  0.11000E+01 volume 118.30110 ppm1 1.544 ppm2 0.795
ASSI { 17962}
  (( segid "PTBd" and resid 31  and name HG1  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17962 weight  0.11000E+01 volume 47.11050 ppm1 2.073 ppm2 0.795
ASSI { 17972}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17972 weight  0.11000E+01 volume 63.32670 ppm1 3.043 ppm2 0.795
ASSI { 17982}
  (( segid "PTBd" and resid 84  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 17982 weight  0.11000E+01 volume 148.22240 ppm1 3.119 ppm2 0.795
ASSI { 17992}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 17992 weight  0.11000E+01 volume 151.69170 ppm1 2.857 ppm2 0.795
ASSI { 18002}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 18002 weight  0.11000E+01 volume 190.87109 ppm1 7.110 ppm2 0.795
ASSI { 18012}
  (( segid "PTBd" and resid 83  and name HE1  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18012 weight  0.11000E+01 volume 90.50930 ppm1 2.969 ppm2 0.817
ASSI { 18022}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18022 weight  0.11000E+01 volume 152.40491 ppm1 2.869 ppm2 0.817
ASSI { 18032}
  (( segid "PTBd" and resid 25  and name HG1  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18032 weight  0.11000E+01 volume 70.55450 ppm1 2.569 ppm2 0.817
ASSI { 18042}
  (( segid "PTBd" and resid 83  and name HE2  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 18042 weight  0.11000E+01 volume 25.38120 ppm1 2.869 ppm2 0.637
ASSI { 18052}
  (( segid "PTBd" and resid 83  and name HD1  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18052 weight  0.11000E+01 volume 144.72490 ppm1 1.707 ppm2 0.817
ASSI { 18062}
  (( segid "PTBd" and resid 83  and name HG1  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18062 weight  0.11000E+01 volume 141.75650 ppm1 1.635 ppm2 0.817
ASSI { 18072}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 18072 weight  0.11000E+01 volume 59.63090 ppm1 1.504 ppm2 0.817
ASSI { 18082}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 18082 weight  0.11000E+01 volume 38.36080 ppm1 1.506 ppm2 0.637
ASSI { 18092}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 18092 weight  0.11000E+01 volume 9.27690 ppm1 7.111 ppm2 5.586
ASSI { 18102}
  (( segid "PTBd" and resid 90  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 18102 weight  0.11000E+01 volume 5.86800 ppm1 -0.591 ppm2 1.248
ASSI { 18122}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 55  and name HA  ))
     6 6 0 peak 18122 weight  0.11000E+01 volume 17.56350 ppm1 5.283 ppm2 4.614
ASSI { 18132}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18132 weight  0.11000E+01 volume 22.40690 ppm1 6.640 ppm2 0.569
ASSI { 18142}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18142 weight  0.11000E+01 volume 40.00480 ppm1 5.543 ppm2 0.638
ASSI { 18152}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18152 weight  0.11000E+01 volume 10.16150 ppm1 6.640 ppm2 0.637
ASSI { 18162}
  (( segid "PTBd" and resid 25  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18162 weight  0.11000E+01 volume 10.53260 ppm1 4.014 ppm2 0.638
ASSI { 18172}
  (( segid "FGFR" and resid 207  and name HB1  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18172 weight  0.11000E+01 volume 36.49110 ppm1 2.963 ppm2 0.638
ASSI { 18182}
  (( segid "FGFR" and resid 207  and name HB2  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18182 weight  0.11000E+01 volume 46.63780 ppm1 2.803 ppm2 0.638
ASSI { 18192}
  (( segid "PTBd" and resid 20  and name HB1  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18192 weight  0.11000E+01 volume 42.36690 ppm1 2.840 ppm2 0.638
ASSI { 18202}
  (( segid "PTBd" and resid 24  and name HB2  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18202 weight  0.11000E+01 volume 32.00570 ppm1 2.467 ppm2 0.638
ASSI { 18212}
  (( segid "PTBd" and resid 20  and name HB2  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18212 weight  0.11000E+01 volume 97.97450 ppm1 2.155 ppm2 0.638
ASSI { 18222}
  (( segid "PTBd" and resid 25  and name HB1  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18222 weight  0.11000E+01 volume 23.11000 ppm1 1.883 ppm2 0.638
ASSI { 18232}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18232 weight  0.11000E+01 volume 9.54830 ppm1 5.544 ppm2 0.569
ASSI { 18242}
  (( segid "PTBd" and resid 20  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18242 weight  0.11000E+01 volume 57.33480 ppm1 4.446 ppm2 0.569
ASSI { 18252}
  (( segid "FGFR" and resid 207  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18252 weight  0.11000E+01 volume 46.17690 ppm1 4.573 ppm2 0.569
ASSI { 18262}
  (( segid "FGFR" and resid 207  and name HB1  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18262 weight  0.11000E+01 volume 175.83150 ppm1 2.962 ppm2 0.569
ASSI { 18272}
  (( segid "FGFR" and resid 207  and name HB2  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18272 weight  0.11000E+01 volume 322.72479 ppm1 2.803 ppm2 0.569
ASSI { 18282}
  (( segid "PTBd" and resid 20  and name HB2  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 18282 weight  0.11000E+01 volume 43.49240 ppm1 2.156 ppm2 0.569
ASSI { 18292}
  (( segid "FGFR" and resid 207  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18292 weight  0.11000E+01 volume 37.08090 ppm1 4.573 ppm2 0.638
ASSI { 18302}
  (( segid "PTBd" and resid 20  and name HA  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 18302 weight  0.11000E+01 volume 29.96890 ppm1 4.446 ppm2 0.638
ASSI { 18312}
  (( segid "PTBd" and resid 26  and name HA  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 18312 weight  0.11000E+01 volume 45.96250 ppm1 4.524 ppm2 1.471
ASSI { 18322}
  (( segid "PTBd" and resid 19  and name HA  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 18322 weight  0.11000E+01 volume 25.59620 ppm1 5.544 ppm2 1.471
ASSI { 18332}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 18332 weight  0.11000E+01 volume 6.79370 ppm1 0.516 ppm2 4.300
ASSI { 18342}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 18342 weight  0.11000E+01 volume 26.01040 ppm1 0.515 ppm2 2.807
ASSI { 18352}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "PTBd" and resid 61  and name HB2  ))
     6 6 0 peak 18352 weight  0.11000E+01 volume 47.34390 ppm1 0.515 ppm2 2.537
ASSI { 18362}
  (( segid "PTBd" and resid 64  and name HD2#  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 18362 weight  0.11000E+01 volume 21.54370 ppm1 0.786 ppm2 2.808
ASSI { 18372}
  (( segid "FGFR" and resid 216  and name HD1  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 18372 weight  0.11000E+01 volume 24.35590 ppm1 3.116 ppm2 4.300
ASSI { 18382}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18382 weight  0.11000E+01 volume 24.16940 ppm1 7.594 ppm2 0.613
ASSI { 18392}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18392 weight  0.11000E+01 volume 49.48310 ppm1 6.768 ppm2 0.613
ASSI { 18402}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18402 weight  0.11000E+01 volume 60.21360 ppm1 6.643 ppm2 0.613
ASSI { 18412}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18412 weight  0.11000E+01 volume 51.02630 ppm1 5.843 ppm2 0.612
ASSI { 18422}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18422 weight  0.11000E+01 volume 22.96260 ppm1 5.287 ppm2 0.612
ASSI { 18432}
  (( segid "PTBd" and resid 69  and name HB1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18432 weight  0.11000E+01 volume 51.43750 ppm1 4.916 ppm2 0.612
ASSI { 18442}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18442 weight  0.11000E+01 volume 55.47490 ppm1 4.298 ppm2 0.612
ASSI { 18452}
  (( segid "PTBd" and resid 69  and name HB2  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18452 weight  0.11000E+01 volume 54.39430 ppm1 4.013 ppm2 0.613
ASSI { 18472}
  (( segid "PTBd" and resid 67  and name HB1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18472 weight  0.11000E+01 volume 64.16620 ppm1 3.251 ppm2 0.612
ASSI { 18482}
  (( segid "PTBd" and resid 50  and name HB1  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18482 weight  0.11000E+01 volume 79.86550 ppm1 3.027 ppm2 0.613
ASSI { 18492}
  (( segid "PTBd" and resid 67  and name HB2  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18492 weight  0.11000E+01 volume 59.30220 ppm1 2.908 ppm2 0.612
ASSI { 18512}
  (( segid "PTBd" and resid 50  and name HB2  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18512 weight  0.11000E+01 volume 80.21140 ppm1 2.593 ppm2 0.613
ASSI { 18522}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18522 weight  0.11000E+01 volume 55.17540 ppm1 1.860 ppm2 0.613
ASSI { 18542}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18542 weight  0.11000E+01 volume 53.83320 ppm1 0.405 ppm2 0.613
ASSI { 18552}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18552 weight  0.11000E+01 volume 72.22390 ppm1 0.291 ppm2 0.613
ASSI { 18562}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18562 weight  0.11000E+01 volume 19.37370 ppm1 0.216 ppm2 0.613
ASSI { 18572}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 18572 weight  0.11000E+01 volume 12.25680 ppm1 -0.046 ppm2 0.613
ASSI { 18582}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18582 weight  0.11000E+01 volume 125.13740 ppm1 0.216 ppm2 0.751
ASSI { 18592}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18592 weight  0.11000E+01 volume 74.58780 ppm1 0.291 ppm2 0.751
ASSI { 18602}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18602 weight  0.11000E+01 volume 145.74580 ppm1 -0.047 ppm2 0.751
ASSI { 18612}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18612 weight  0.11000E+01 volume 79.51250 ppm1 0.406 ppm2 0.751
ASSI { 18632}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18632 weight  0.11000E+01 volume 226.72310 ppm1 1.861 ppm2 0.751
ASSI { 18662}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18662 weight  0.11000E+01 volume 73.30250 ppm1 4.298 ppm2 0.751
ASSI { 18672}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18672 weight  0.11000E+01 volume 15.61050 ppm1 5.288 ppm2 0.752
ASSI { 18682}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18682 weight  0.11000E+01 volume 15.30870 ppm1 5.843 ppm2 0.751
ASSI { 18692}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18692 weight  0.11000E+01 volume 45.27300 ppm1 6.179 ppm2 0.751
ASSI { 18702}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18702 weight  0.11000E+01 volume 43.59340 ppm1 6.405 ppm2 0.751
ASSI { 18712}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18712 weight  0.11000E+01 volume 222.46350 ppm1 6.643 ppm2 0.751
ASSI { 18722}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 18722 weight  0.11000E+01 volume 78.61030 ppm1 6.768 ppm2 0.752
ASSI { 18752}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 18752 weight  0.11000E+01 volume 26.24640 ppm1 0.613 ppm2 -0.041
ASSI { 18762}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 18762 weight  0.11000E+01 volume 131.89461 ppm1 0.617 ppm2 0.297
ASSI { 18772}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 38  and name HD1#  ))
     6 6 0 peak 18772 weight  0.11000E+01 volume 62.28370 ppm1 0.617 ppm2 0.411
ASSI { 18782}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 69  and name HB1  ))
     6 6 0 peak 18782 weight  0.11000E+01 volume 14.47130 ppm1 7.595 ppm2 4.909
ASSI { 18792}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 69  and name HB2  ))
     6 6 0 peak 18792 weight  0.11000E+01 volume 42.77160 ppm1 7.595 ppm2 4.025
ASSI { 18802}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 18802 weight  0.11000E+01 volume 6.93020 ppm1 7.594 ppm2 5.291
ASSI { 18812}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 18812 weight  0.11000E+01 volume 10.56850 ppm1 -0.257 ppm2 0.209
ASSI { 18822}
  (( segid "FGFR" and resid 211  and name HA  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18822 weight  0.11000E+01 volume 100.19340 ppm1 4.339 ppm2 0.501
ASSI { 18832}
  (( segid "FGFR" and resid 212  and name HA  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18832 weight  0.11000E+01 volume 115.58910 ppm1 4.014 ppm2 0.501
ASSI { 18842}
  (( segid "FGFR" and resid 212  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18842 weight  0.11000E+01 volume 50.28750 ppm1 3.653 ppm2 0.501
ASSI { 18852}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18852 weight  0.11000E+01 volume 19.39660 ppm1 5.690 ppm2 0.501
ASSI { 18862}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18862 weight  0.11000E+01 volume 54.49730 ppm1 5.690 ppm2 0.546
ASSI { 18872}
  (( segid "FGFR" and resid 209  and name HA  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18872 weight  0.11000E+01 volume 58.51980 ppm1 4.312 ppm2 0.547
ASSI { 18882}
  (( segid "FGFR" and resid 212  and name HA  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18882 weight  0.11000E+01 volume 251.98849 ppm1 4.014 ppm2 0.546
ASSI { 18892}
  (( segid "FGFR" and resid 212  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18892 weight  0.11000E+01 volume 58.57010 ppm1 3.654 ppm2 0.546
ASSI { 18902}
  (( segid "PTBd" and resid 68  and name HG1  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18902 weight  0.11000E+01 volume 22.21110 ppm1 2.297 ppm2 0.501
ASSI { 18912}
  (( segid "PTBd" and resid 68  and name HG2  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18912 weight  0.11000E+01 volume 53.77810 ppm1 1.980 ppm2 0.501
ASSI { 18922}
  (( segid "PTBd" and resid 68  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18922 weight  0.11000E+01 volume 26.10350 ppm1 1.790 ppm2 0.501
ASSI { 18932}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18932 weight  0.11000E+01 volume 29.77880 ppm1 1.666 ppm2 0.501
ASSI { 18942}
  (( segid "FGFR" and resid 209  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 18942 weight  0.11000E+01 volume 51.75860 ppm1 1.551 ppm2 0.501
ASSI { 18952}
  (( segid "PTBd" and resid 68  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 18952 weight  0.11000E+01 volume 12.91800 ppm1 1.791 ppm2 4.185
ASSI { 18962}
  (( segid "PTBd" and resid 68  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 18962 weight  0.11000E+01 volume 114.31090 ppm1 1.976 ppm2 4.185
ASSI { 18972}
  (( segid "PTBd" and resid 79  and name HG11  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 18972 weight  0.11000E+01 volume 26.13750 ppm1 1.388 ppm2 4.185
ASSI { 18982}
  (( segid "PTBd" and resid 68  and name HG1  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18982 weight  0.11000E+01 volume 22.14190 ppm1 2.297 ppm2 0.546
ASSI { 18992}
  (( segid "PTBd" and resid 68  and name HG2  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 18992 weight  0.11000E+01 volume 40.61290 ppm1 1.980 ppm2 0.546
ASSI { 19002}
  (( segid "PTBd" and resid 68  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 19002 weight  0.11000E+01 volume 26.32110 ppm1 1.790 ppm2 0.546
ASSI { 19012}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 19012 weight  0.11000E+01 volume 255.57919 ppm1 1.666 ppm2 0.546
ASSI { 19022}
  (( segid "FGFR" and resid 209  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 19022 weight  0.11000E+01 volume 61.62900 ppm1 1.551 ppm2 0.546
ASSI { 19032}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 19032 weight  0.11000E+01 volume 13.87560 ppm1 0.658 ppm2 1.182
ASSI { 19042}
  (( segid "FGFR" and resid 209  and name HB2  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 19042 weight  0.11000E+01 volume 15.54670 ppm1 1.551 ppm2 1.182
ASSI { 19052}
  (( segid "PTBd" and resid 79  and name HA  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 19052 weight  0.11000E+01 volume 10.51760 ppm1 4.176 ppm2 1.182
ASSI { 19062}
  (( segid "PTBd" and resid 68  and name HB2  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 19062 weight  0.11000E+01 volume 39.94390 ppm1 1.790 ppm2 5.699
ASSI { 19072}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 19072 weight  0.11000E+01 volume 20.52260 ppm1 6.643 ppm2 2.849
ASSI { 19082}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19082 weight  0.11000E+01 volume 2.62900 ppm1 0.251 ppm2 4.955
ASSI { 19092}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19092 weight  0.11000E+01 volume 18.46730 ppm1 0.745 ppm2 4.954
ASSI { 19102}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19102 weight  0.11000E+01 volume 10.70070 ppm1 1.430 ppm2 4.954
ASSI { 19112}
  (( segid "FGFR" and resid 221  and name HA  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19112 weight  0.11000E+01 volume 188.99400 ppm1 4.176 ppm2 4.954
ASSI { 19122}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19122 weight  0.11000E+01 volume 18.24790 ppm1 4.887 ppm2 1.922
ASSI { 19132}
  (( segid "FGFR" and resid 221  and name HA  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19132 weight  0.11000E+01 volume 61.13730 ppm1 4.176 ppm2 1.922
ASSI { 19142}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19142 weight  0.11000E+01 volume 86.61060 ppm1 1.432 ppm2 1.922
ASSI { 19152}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19152 weight  0.11000E+01 volume 125.49150 ppm1 0.745 ppm2 1.922
ASSI { 19162}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19162 weight  0.11000E+01 volume 42.13090 ppm1 0.252 ppm2 1.922
ASSI { 19172}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19172 weight  0.11000E+01 volume 16.22410 ppm1 1.003 ppm2 1.922
ASSI { 19182}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19182 weight  0.11000E+01 volume 6.25280 ppm1 2.136 ppm2 4.955
ASSI { 19192}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 19192 weight  0.11000E+01 volume 21.28570 ppm1 1.003 ppm2 4.954
ASSI { 19202}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 19202 weight  0.11000E+01 volume 149.03230 ppm1 2.135 ppm2 1.922
ASSI { 19212}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19212 weight  0.11000E+01 volume 14.18840 ppm1 4.887 ppm2 0.863
ASSI { 19222}
  (( segid "PTBd" and resid 104  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19222 weight  0.11000E+01 volume 11.57770 ppm1 4.631 ppm2 0.864
ASSI { 19232}
  (( segid "PTBd" and resid 106  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19232 weight  0.11000E+01 volume 14.74810 ppm1 4.347 ppm2 0.863
ASSI { 19242}
  (( segid "FGFR" and resid 221  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19242 weight  0.11000E+01 volume 54.50610 ppm1 4.176 ppm2 0.863
ASSI { 19272}
  (( segid "PTBd" and resid 99  and name HG2  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19272 weight  0.11000E+01 volume 13.37890 ppm1 2.392 ppm2 0.863
ASSI { 19282}
  (( segid "PTBd" and resid 99  and name HG1  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19282 weight  0.11000E+01 volume 8.62720 ppm1 2.479 ppm2 0.863
ASSI { 19292}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19292 weight  0.11000E+01 volume 24.44130 ppm1 2.135 ppm2 0.863
ASSI { 19302}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19302 weight  0.11000E+01 volume 68.65790 ppm1 1.435 ppm2 0.863
ASSI { 19312}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19312 weight  0.11000E+01 volume 40.48020 ppm1 0.252 ppm2 0.863
ASSI { 19322}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19322 weight  0.11000E+01 volume 296.73050 ppm1 0.745 ppm2 0.863
ASSI { 19332}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19332 weight  0.11000E+01 volume 103.21870 ppm1 1.003 ppm2 0.863
ASSI { 19342}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19342 weight  0.11000E+01 volume 12.41340 ppm1 6.176 ppm2 0.863
ASSI { 19352}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19352 weight  0.11000E+01 volume 38.09730 ppm1 6.177 ppm2 0.909
ASSI { 19362}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19362 weight  0.11000E+01 volume 28.27310 ppm1 4.879 ppm2 0.909
ASSI { 19372}
  (( segid "PTBd" and resid 104  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19372 weight  0.11000E+01 volume 7.78230 ppm1 4.631 ppm2 0.910
ASSI { 19382}
  (( segid "FGFR" and resid 221  and name HA  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19382 weight  0.11000E+01 volume 285.52869 ppm1 4.176 ppm2 0.909
ASSI { 19402}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19402 weight  0.11000E+01 volume 40.01540 ppm1 2.651 ppm2 0.909
ASSI { 19412}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19412 weight  0.11000E+01 volume 39.89600 ppm1 2.136 ppm2 0.909
ASSI { 19422}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19422 weight  0.11000E+01 volume 41.88450 ppm1 0.252 ppm2 0.909
ASSI { 19432}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19432 weight  0.11000E+01 volume 121.68690 ppm1 0.744 ppm2 0.909
ASSI { 19442}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19442 weight  0.11000E+01 volume 54.0001 ppm1 1.436 ppm2 0.909
ASSI { 19452}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 19452 weight  0.11000E+01 volume 297.04700 ppm1 1.001 ppm2 0.909
ASSI { 19462}
  (( segid "PTBd" and resid 98  and name HG1  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 19462 weight  0.11000E+01 volume 16.97470 ppm1 2.651 ppm2 0.863
ASSI { 19472}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19472 weight  0.11000E+01 volume 110.50770 ppm1 6.406 ppm2 0.592
ASSI { 19482}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19482 weight  0.11000E+01 volume 88.98340 ppm1 6.647 ppm2 0.592
ASSI { 19492}
  (( segid "PTBd" and resid 35  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19492 weight  0.11000E+01 volume 65.72840 ppm1 4.571 ppm2 0.592
ASSI { 19502}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19502 weight  0.11000E+01 volume 29.91350 ppm1 3.881 ppm2 0.591
ASSI { 19532}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19532 weight  0.11000E+01 volume 25.15050 ppm1 2.088 ppm2 0.591
ASSI { 19542}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19542 weight  0.11000E+01 volume 61.61210 ppm1 0.218 ppm2 0.591
ASSI { 19552}
  (( segid "PTBd" and resid 97  and name HG12  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19552 weight  0.11000E+01 volume 122.99460 ppm1 0.931 ppm2 0.591
ASSI { 19562}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19562 weight  0.11000E+01 volume 32.18780 ppm1 1.091 ppm2 0.591
ASSI { 19572}
  (( segid "PTBd" and resid 36  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19572 weight  0.11000E+01 volume 21.03350 ppm1 4.357 ppm2 0.591
ASSI { 19592}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 19592 weight  0.11000E+01 volume 35.63620 ppm1 3.630 ppm2 0.592
ASSI { 19632}
  (( segid "PTBd" and resid 93  and name HG2  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19632 weight  0.11000E+01 volume 76.59730 ppm1 2.481 ppm2 0.703
ASSI { 19642}
  (( segid "PTBd" and resid 93  and name HG1  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19642 weight  0.11000E+01 volume 61.40480 ppm1 2.658 ppm2 0.703
ASSI { 19652}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19652 weight  0.11000E+01 volume 105.67600 ppm1 2.087 ppm2 0.703
ASSI { 19662}
  (( segid "PTBd" and resid 97  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19662 weight  0.11000E+01 volume 67.17690 ppm1 3.572 ppm2 0.705
ASSI { 19672}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19672 weight  0.11000E+01 volume 38.21650 ppm1 3.630 ppm2 0.705
ASSI { 19682}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19682 weight  0.11000E+01 volume 120.24870 ppm1 0.217 ppm2 0.703
ASSI { 19692}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19692 weight  0.11000E+01 volume 12.53630 ppm1 -0.046 ppm2 0.703
ASSI { 19702}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19702 weight  0.11000E+01 volume 10.80250 ppm1 1.859 ppm2 0.704
ASSI { 19732}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19732 weight  0.11000E+01 volume 11.96330 ppm1 4.104 ppm2 0.705
ASSI { 19742}
  (( segid "PTBd" and resid 35  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19742 weight  0.11000E+01 volume 6.02540 ppm1 4.570 ppm2 0.705
ASSI { 19752}
  (( segid "PTBd" and resid 34  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19752 weight  0.11000E+01 volume 13.28070 ppm1 4.956 ppm2 0.705
ASSI { 19762}
  (( segid "PTBd" and resid 33  and name HA  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19762 weight  0.11000E+01 volume 27.64150 ppm1 5.007 ppm2 0.705
ASSI { 19772}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19772 weight  0.11000E+01 volume 6.72310 ppm1 6.652 ppm2 0.705
ASSI { 19782}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 19782 weight  0.11000E+01 volume 38.74490 ppm1 6.407 ppm2 0.705
ASSI { 19792}
  (( segid "PTBd" and resid 53  and name HD1#  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 19792 weight  0.11000E+01 volume 36.54560 ppm1 0.931 ppm2 4.074
ASSI { 19802}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 103  and name HB  ))
     6 6 0 peak 19802 weight  0.11000E+01 volume 23.52730 ppm1 3.880 ppm2 1.723
ASSI { 19812}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 103  and name HG11  ))
     6 6 0 peak 19812 weight  0.11000E+01 volume 226.72020 ppm1 0.858 ppm2 1.540
ASSI { 19822}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 103  and name HG12  ))
     6 6 0 peak 19822 weight  0.11000E+01 volume 207.92101 ppm1 0.858 ppm2 1.047
ASSI { 19832}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19832 weight  0.11000E+01 volume 60.47270 ppm1 1.862 ppm2 0.885
ASSI { 19842}
  (( segid "PTBd" and resid 52  and name HB2  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19842 weight  0.11000E+01 volume 129.56030 ppm1 2.618 ppm2 0.885
ASSI { 19852}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19852 weight  0.11000E+01 volume 54.02760 ppm1 3.015 ppm2 0.885
ASSI { 19862}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19862 weight  0.11000E+01 volume 29.26970 ppm1 3.881 ppm2 0.885
ASSI { 19882}
  (( segid "PTBd" and resid 98  and name HA  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 19882 weight  0.11000E+01 volume 29.53470 ppm1 3.881 ppm2 0.863
ASSI { 19892}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19892 weight  0.11000E+01 volume 13.10510 ppm1 6.406 ppm2 0.885
ASSI { 19902}
  (( segid "PTBd" and resid 52  and name HD1  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 19902 weight  0.11000E+01 volume 19.41470 ppm1 6.650 ppm2 0.885
ASSI { 19912}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 19912 weight  0.11000E+01 volume 201.23399 ppm1 1.862 ppm2 0.862
ASSI { 19922}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 19922 weight  0.11000E+01 volume 167.37770 ppm1 1.024 ppm2 0.567
ASSI { 19932}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 19932 weight  0.11000E+01 volume 204.82420 ppm1 1.025 ppm2 -0.063
ASSI { 19942}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 19942 weight  0.11000E+01 volume 52.01120 ppm1 1.167 ppm2 0.885
ASSI { 19952}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 19952 weight  0.11000E+01 volume 90.57080 ppm1 1.167 ppm2 0.864
ASSI { 19962}
  (( segid "FGFR" and resid 222  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 19962 weight  0.11000E+01 volume 24.00270 ppm1 4.517 ppm2 0.864
ASSI { 19972}
  (( segid "FGFR" and resid 222  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 19972 weight  0.11000E+01 volume 33.85340 ppm1 4.519 ppm2 0.885
ASSI { 19982}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 35  and name HB2  ))
     6 6 0 peak 19982 weight  0.11000E+01 volume 43.02720 ppm1 1.088 ppm2 2.732
ASSI { 19992}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 35  and name HB1  ))
     6 6 0 peak 19992 weight  0.11000E+01 volume 48.02820 ppm1 1.088 ppm2 2.807
ASSI { 20002}
  (( segid "PTBd" and resid 35  and name HB1  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 20002 weight  0.11000E+01 volume 96.20180 ppm1 2.808 ppm2 1.088
ASSI { 20012}
  (( segid "PTBd" and resid 35  and name HB2  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 20012 weight  0.11000E+01 volume 87.43500 ppm1 2.735 ppm2 1.088
ASSI { 20022}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HB2  ))
     6 6 0 peak 20022 weight  0.11000E+01 volume 23.07440 ppm1 -0.069 ppm2 1.925
ASSI { 20032}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HG1  ))
     6 6 0 peak 20032 weight  0.11000E+01 volume 20.49870 ppm1 -0.068 ppm2 2.325
ASSI { 20042}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 74  and name HG2  ))
     6 6 0 peak 20042 weight  0.11000E+01 volume 25.40230 ppm1 -0.068 ppm2 2.262
ASSI { 20052}
  (( segid "PTBd" and resid 74  and name HG1  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20052 weight  0.11000E+01 volume 32.04650 ppm1 2.332 ppm2 1.087
ASSI { 20062}
  (( segid "PTBd" and resid 74  and name HG2  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20062 weight  0.11000E+01 volume 40.62720 ppm1 2.262 ppm2 1.087
ASSI { 20072}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20072 weight  0.11000E+01 volume 171.61580 ppm1 -0.069 ppm2 1.087
ASSI { 20082}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20082 weight  0.11000E+01 volume 51.49280 ppm1 0.555 ppm2 1.087
ASSI { 20092}
  (( segid "PTBd" and resid 48  and name HB  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20092 weight  0.11000E+01 volume 34.82090 ppm1 1.438 ppm2 1.087
ASSI { 20132}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 75  and name HB  ))
     6 6 0 peak 20132 weight  0.11000E+01 volume 30.47470 ppm1 1.023 ppm2 4.479
ASSI { 20142}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 75  and name HA  ))
     6 6 0 peak 20142 weight  0.11000E+01 volume 30.92190 ppm1 1.022 ppm2 4.144
ASSI { 20172}
  (( segid "PTBd" and resid 50  and name HZ2  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20172 weight  0.11000E+01 volume 107.09690 ppm1 5.998 ppm2 1.088
ASSI { 20182}
  (( segid "PTBd" and resid 50  and name HH2  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 20182 weight  0.11000E+01 volume 39.80530 ppm1 6.638 ppm2 1.087
ASSI { 20192}
  (( segid "PTBd" and resid 19  and name HB  ))
  (( segid "PTBd" and resid 23  and name HA1  ))
     6 6 0 peak 20192 weight  0.11000E+01 volume 10.64120 ppm1 1.886 ppm2 4.135
ASSI { 20202}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 20202 weight  0.11000E+01 volume 18.47270 ppm1 7.086 ppm2 0.910
ASSI { 20212}
  (( segid "PTBd" and resid 51  and name HB2  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 20212 weight  0.11000E+01 volume 10.25630 ppm1 3.094 ppm2 0.909
ASSI { 20232}
  (( segid "PTBd" and resid 51  and name HB1  ))
  (( segid "PTBd" and resid 53  and name HD2#  ))
     6 6 0 peak 20232 weight  0.11000E+01 volume 9.62530 ppm1 3.255 ppm2 0.909
ASSI { 20262}
  (( segid "FGFR" and resid 222  and name HA  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 20262 weight  0.11000E+01 volume 18.27330 ppm1 4.522 ppm2 2.742
ASSI { 20272}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 20272 weight  0.11000E+01 volume 20.01320 ppm1 6.775 ppm2 0.909
ASSI { 20282}
  (( segid "FGFR" and resid 218  and name HA  ))
  (( segid "PTBd" and resid 59  and name HA1  ))
     6 6 0 peak 20282 weight  0.11000E+01 volume 27.98840 ppm1 5.162 ppm2 4.613
ASSI { 20292}
  (( segid "PTBd" and resid 101  and name HA  ))
  (( segid "PTBd" and resid 101  and name HB2  ))
     6 6 0 peak 20292 weight  0.11000E+01 volume 19.70430 ppm1 4.786 ppm2 2.643
ASSI { 20302}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 7  and name HG1  ))
     6 6 0 peak 20302 weight  0.11000E+01 volume 32.11900 ppm1 7.025 ppm2 1.956
ASSI { 20312}
  (( segid "PTBd" and resid 101  and name HB1  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 20312 weight  0.11000E+01 volume 21.18960 ppm1 2.992 ppm2 0.885
ASSI { 20322}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 20322 weight  0.11000E+01 volume 42.42510 ppm1 7.453 ppm2 1.494
ASSI { 20332}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 20332 weight  0.11000E+01 volume 22.28960 ppm1 3.824 ppm2 0.209
ASSI { 20342}
  (( segid "PTBd" and resid 91  and name HZ  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 20342 weight  0.11000E+01 volume 14.71390 ppm1 7.380 ppm2 2.016
ASSI { 20352}
  (( segid "PTBd" and resid 91  and name HZ  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 20352 weight  0.11000E+01 volume 8.88140 ppm1 7.380 ppm2 1.697
ASSI { 20362}
  (( segid "PTBd" and resid 12  and name HB2  ))
  (( segid "PTBd" and resid 93  and name HE#  ))
     6 6 0 peak 20362 weight  0.11000E+01 volume 53.91480 ppm1 2.740 ppm2 2.084
ASSI { 20372}
  (( segid "PTBd" and resid 14  and name HD1  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 20372 weight  0.11000E+01 volume 7.45990 ppm1 6.922 ppm2 5.157
ASSI { 20382}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 94  and name HG  ))
     6 6 0 peak 20382 weight  0.11000E+01 volume 26.61530 ppm1 3.633 ppm2 0.771
ASSI { 20392}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 13  and name HB1  ))
     6 6 0 peak 20392 weight  0.11000E+01 volume 9.82490 ppm1 5.431 ppm2 1.381
ASSI { 20402}
  (( segid "PTBd" and resid 13  and name HB1  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 20402 weight  0.11000E+01 volume 16.73210 ppm1 1.381 ppm2 5.429
ASSI { 20412}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 13  and name HG2  ))
     6 6 0 peak 20412 weight  0.11000E+01 volume 9.77480 ppm1 5.431 ppm2 0.998
ASSI { 20422}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HD2  ))
     6 6 0 peak 20422 weight  0.11000E+01 volume 25.24610 ppm1 0.776 ppm2 1.369
ASSI { 20432}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 13  and name HD1  ))
     6 6 0 peak 20432 weight  0.11000E+01 volume 40.40160 ppm1 0.776 ppm2 1.451
ASSI { 20442}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 20442 weight  0.11000E+01 volume 44.14980 ppm1 5.413 ppm2 0.615
ASSI { 20462}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 20462 weight  0.11000E+01 volume 21.77340 ppm1 5.396 ppm2 1.495
ASSI { 20472}
  (( segid "PTBd" and resid 64  and name HA  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 20472 weight  0.11000E+01 volume 10.29580 ppm1 5.396 ppm2 1.632
ASSI { 20482}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 18  and name HB1  ))
     6 6 0 peak 20482 weight  0.11000E+01 volume 12.95300 ppm1 4.530 ppm2 3.100
ASSI { 20492}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 20492 weight  0.11000E+01 volume 48.74540 ppm1 7.107 ppm2 4.521
ASSI { 20502}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 20502 weight  0.11000E+01 volume 6.59230 ppm1 7.259 ppm2 4.521
ASSI { 20512}
  (( segid "PTBd" and resid 29  and name HA2  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 20512 weight  0.11000E+01 volume 26.72430 ppm1 4.106 ppm2 0.614
ASSI { 20522}
  (( segid "PTBd" and resid 29  and name HA1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 20522 weight  0.11000E+01 volume 15.11660 ppm1 4.553 ppm2 0.615
ASSI { 20532}
  (( segid "PTBd" and resid 16  and name HG2#  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 20532 weight  0.11000E+01 volume 14.80910 ppm1 0.619 ppm2 2.854
ASSI { 20552}
  (( segid "PTBd" and resid 31  and name HB1  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 20552 weight  0.11000E+01 volume 47.33880 ppm1 1.902 ppm2 0.614
ASSI { 20562}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 20562 weight  0.11000E+01 volume 14.53260 ppm1 0.630 ppm2 2.763
ASSI { 20572}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 20572 weight  0.11000E+01 volume 9.41320 ppm1 0.630 ppm2 2.467
ASSI { 20582}
  (( segid "PTBd" and resid 17  and name HB  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 20582 weight  0.11000E+01 volume 4.08650 ppm1 1.715 ppm2 5.430
ASSI { 20592}
  (( segid "PTBd" and resid 83  and name HG2  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 20592 weight  0.11000E+01 volume 10.70760 ppm1 1.505 ppm2 0.887
ASSI { 20602}
  (( segid "PTBd" and resid 83  and name HB1  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 20602 weight  0.11000E+01 volume 31.43980 ppm1 1.942 ppm2 0.887
ASSI { 20612}
  (( segid "PTBd" and resid 19  and name HG1#  ))
  (( segid "PTBd" and resid 23  and name HA1  ))
     6 6 0 peak 20612 weight  0.11000E+01 volume 22.08110 ppm1 0.814 ppm2 4.135
ASSI { 20622}
  (( segid "PTBd" and resid 23  and name HA1  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 20622 weight  0.11000E+01 volume 85.77120 ppm1 4.142 ppm2 1.881
ASSI { 20632}
  (( segid "PTBd" and resid 26  and name HD1#  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 20632 weight  0.11000E+01 volume 37.95940 ppm1 0.630 ppm2 2.153
ASSI { 20642}
  (( segid "PTBd" and resid 83  and name HD1  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 20642 weight  0.11000E+01 volume 94.10800 ppm1 1.707 ppm2 0.637
ASSI { 20652}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 20652 weight  0.11000E+01 volume 27.19250 ppm1 0.656 ppm2 3.642
ASSI { 20662}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 20662 weight  0.11000E+01 volume 52.11000 ppm1 6.179 ppm2 0.659
ASSI { 20672}
  (( segid "PTBd" and resid 52  and name HE1  ))
  (( segid "PTBd" and resid 33  and name HG  ))
     6 6 0 peak 20672 weight  0.11000E+01 volume 14.54030 ppm1 6.406 ppm2 1.700
ASSI { 20682}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HG  ))
     6 6 0 peak 20682 weight  0.11000E+01 volume 36.16150 ppm1 0.406 ppm2 1.699
ASSI { 20692}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 33  and name HG  ))
     6 6 0 peak 20692 weight  0.11000E+01 volume 7.56040 ppm1 0.291 ppm2 1.699
ASSI { 20702}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 33  and name HG  ))
     6 6 0 peak 20702 weight  0.11000E+01 volume 9.44300 ppm1 0.217 ppm2 1.699
ASSI { 20712}
  (( segid "PTBd" and resid 32  and name HG1  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 20712 weight  0.11000E+01 volume 62.64510 ppm1 2.089 ppm2 1.200
ASSI { 20722}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 20722 weight  0.11000E+01 volume 83.40390 ppm1 1.964 ppm2 1.200
ASSI { 20752}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 20752 weight  0.11000E+01 volume 107.91610 ppm1 0.745 ppm2 1.201
ASSI { 20762}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 20762 weight  0.11000E+01 volume 25.29650 ppm1 0.222 ppm2 1.201
ASSI { 20772}
  (( segid "PTBd" and resid 50  and name HB2  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 20772 weight  0.11000E+01 volume 9.43070 ppm1 2.594 ppm2 1.724
ASSI { 20782}
  (( segid "PTBd" and resid 93  and name HA  ))
  (( segid "PTBd" and resid 96  and name HB1  ))
     6 6 0 peak 20782 weight  0.11000E+01 volume 83.42360 ppm1 4.102 ppm2 2.107
ASSI { 20792}
  (( segid "PTBd" and resid 94  and name HA  ))
  (( segid "PTBd" and resid 97  and name HG11  ))
     6 6 0 peak 20792 weight  0.11000E+01 volume 13.56640 ppm1 3.630 ppm2 1.700
ASSI { 20802}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 20802 weight  0.11000E+01 volume 12.48930 ppm1 5.566 ppm2 -0.247
ASSI { 20822}
  (( segid "PTBd" and resid 65  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 20822 weight  0.11000E+01 volume 14.92420 ppm1 5.565 ppm2 -0.584
ASSI { 20832}
  (( segid "PTBd" and resid 29  and name HA1  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20832 weight  0.11000E+01 volume 36.86580 ppm1 4.561 ppm2 1.269
ASSI { 20842}
  (( segid "PTBd" and resid 29  and name HA2  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20842 weight  0.11000E+01 volume 27.03380 ppm1 4.102 ppm2 1.269
ASSI { 20862}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20862 weight  0.11000E+01 volume 43.55890 ppm1 0.708 ppm2 1.269
ASSI { 20872}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20872 weight  0.11000E+01 volume 113.09860 ppm1 1.023 ppm2 1.269
ASSI { 20882}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20882 weight  0.11000E+01 volume 25.51070 ppm1 0.558 ppm2 1.269
ASSI { 20892}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20892 weight  0.11000E+01 volume 417.99509 ppm1 1.360 ppm2 1.269
ASSI { 20902}
  (( segid "FGFR" and resid 204  and name HG1  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20902 weight  0.11000E+01 volume 34.01740 ppm1 2.567 ppm2 1.269
ASSI { 20912}
  (( segid "FGFR" and resid 204  and name HB1  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20912 weight  0.11000E+01 volume 32.37850 ppm1 2.090 ppm2 1.269
ASSI { 20922}
  (( segid "FGFR" and resid 205  and name HA  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 20922 weight  0.11000E+01 volume 82.98450 ppm1 4.288 ppm2 1.269
ASSI { 20952}
  (( segid "PTBd" and resid 50  and name HZ3  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 20952 weight  0.11000E+01 volume 14.74470 ppm1 7.449 ppm2 -0.063
ASSI { 20962}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 20962 weight  0.11000E+01 volume 53.12270 ppm1 0.706 ppm2 0.567
ASSI { 20972}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 36  and name HB  ))
     6 6 0 peak 20972 weight  0.11000E+01 volume 30.49140 ppm1 7.086 ppm2 3.983
ASSI { 20982}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 20982 weight  0.11000E+01 volume 37.64860 ppm1 7.087 ppm2 1.089
ASSI { 20992}
  (( segid "PTBd" and resid 37  and name HA  ))
  (( segid "PTBd" and resid 37  and name HG2  ))
     6 6 0 peak 20992 weight  0.11000E+01 volume 16.28180 ppm1 4.481 ppm2 1.694
ASSI { 21002}
  (( segid "PTBd" and resid 37  and name HA  ))
  (( segid "PTBd" and resid 37  and name HG1  ))
     6 6 0 peak 21002 weight  0.11000E+01 volume 16.76020 ppm1 4.481 ppm2 1.910
ASSI { 21012}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 37  and name HG2  ))
     6 6 0 peak 21012 weight  0.11000E+01 volume 11.05290 ppm1 7.086 ppm2 1.694
ASSI { 21022}
  (( segid "PTBd" and resid 51  and name HD2  ))
  (( segid "PTBd" and resid 37  and name HG1  ))
     6 6 0 peak 21022 weight  0.11000E+01 volume 11.14950 ppm1 7.086 ppm2 1.910
ASSI { 21032}
  (( segid "PTBd" and resid 14  and name HA  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 21032 weight  0.11000E+01 volume 12.33030 ppm1 4.480 ppm2 -0.247
ASSI { 21042}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 56  and name HD1  ))
     6 6 0 peak 21042 weight  0.10000E+01 volume 1.75924 ppm1 0.847 ppm2 3.145
ASSI { 21052}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 21052 weight  0.11000E+01 volume 43.65030 ppm1 3.979 ppm2 1.971
ASSI { 21062}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 21062 weight  0.11000E+01 volume 45.37680 ppm1 1.171 ppm2 1.544
ASSI { 21072}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 21072 weight  0.11000E+01 volume 30.76110 ppm1 1.171 ppm2 1.618
ASSI { 21082}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 21082 weight  0.11000E+01 volume 8.28460 ppm1 6.776 ppm2 0.863
ASSI { 21092}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "PTBd" and resid 59  and name HA1  ))
     6 6 0 peak 21092 weight  0.11000E+01 volume 6.60100 ppm1 0.600 ppm2 4.613
ASSI { 21102}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 21102 weight  0.11000E+01 volume 6.31090 ppm1 6.450 ppm2 4.300
ASSI { 21112}
  (( segid "PTBd" and resid 63  and name HB1  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 21112 weight  0.11000E+01 volume 14.27570 ppm1 3.014 ppm2 1.811
ASSI { 21122}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 21122 weight  0.11000E+01 volume 64.69190 ppm1 0.657 ppm2 0.501
ASSI { 21132}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 21132 weight  0.11000E+01 volume 389.13089 ppm1 0.657 ppm2 0.546
ASSI { 21142}
  (( segid "PTBd" and resid 70  and name HA2  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 21142 weight  0.11000E+01 volume 85.34460 ppm1 4.075 ppm2 2.488
ASSI { 21162}
  (( segid "PTBd" and resid 98  and name HG2  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 21162 weight  0.11000E+01 volume 15.84360 ppm1 2.221 ppm2 0.863
ASSI { 21172}
  (( segid "PTBd" and resid 98  and name HG2  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 21172 weight  0.11000E+01 volume 24.86060 ppm1 2.221 ppm2 0.909
ASSI { 21182}
  (( segid "PTBd" and resid 105  and name HG2#  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 21182 weight  0.11000E+01 volume 22.94500 ppm1 0.855 ppm2 2.652
ASSI { 21192}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 21192 weight  0.11000E+01 volume 15.07590 ppm1 0.909 ppm2 2.652
ASSI { 21212}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 21212 weight  0.11000E+01 volume 23.81580 ppm1 3.981 ppm2 4.344
ASSI { 21222}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 21222 weight  0.11000E+01 volume 34.38820 ppm1 1.431 ppm2 1.950
ASSI { 21232}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 21232 weight  0.11000E+01 volume 6.06570 ppm1 1.429 ppm2 2.284
ASSI { 21242}
  (( segid "PTBd" and resid 105  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 21242 weight  0.11000E+01 volume 69.52930 ppm1 4.949 ppm2 0.885
ASSI { 21252}
  (( segid "PTBd" and resid 105  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 21252 weight  0.11000E+01 volume 38.80460 ppm1 4.949 ppm2 0.864
ASSI { 21262}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 6  and name HG1#  ))
     6 6 0 peak 21262 weight  0.11000E+01 volume 31.11950 ppm1 3.622 ppm2 0.875
ASSI { 21272}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 6  and name HG1#  ))
     6 6 0 peak 21272 weight  0.11000E+01 volume 60.89370 ppm1 3.838 ppm2 0.875
ASSI { 21282}
  (( segid "FGFR" and resid 219  and name HA  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 21282 weight  0.11000E+01 volume 25.84990 ppm1 4.879 ppm2 0.885
ASSI { 21312}
  (( segid "PTBd" and resid 108  and name HG1  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 21312 weight  0.11000E+01 volume 67.44370 ppm1 2.192 ppm2 0.885
ASSI { 21372}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 21372 weight  0.11000E+01 volume 116.43820 ppm1 0.791 ppm2 0.546
ASSI { 21382}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 21382 weight  0.11000E+01 volume 5.77950 ppm1 1.666 ppm2 1.182
ASSI { 21392}
  (( segid "PTBd" and resid 14  and name HE1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 21392 weight  0.11000E+01 volume 36.11090 ppm1 7.024 ppm2 -0.584
ASSI { 21402}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 21402 weight  0.11000E+01 volume 5.30120 ppm1 -0.254 ppm2 1.543
ASSI { 21412}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 21412 weight  0.11000E+01 volume 15.81020 ppm1 2.249 ppm2 -0.584
ASSI { 21422}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 21422 weight  0.11000E+01 volume 2.96250 ppm1 -0.048 ppm2 3.825
ASSI { 21432}
  (( segid "PTBd" and resid 58  and name HB1  ))
  (( segid "PTBd" and resid 94  and name HD2#  ))
     6 6 0 peak 21432 weight  0.11000E+01 volume 11.83160 ppm1 3.489 ppm2 -0.040
ASSI { 21442}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 21442 weight  0.11000E+01 volume 33.82000 ppm1 0.252 ppm2 1.858
ASSI { 21452}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 98  and name HE#  ))
     6 6 0 peak 21452 weight  0.11000E+01 volume 120.26910 ppm1 0.745 ppm2 1.858
ASSI { 21462}
  (( segid "FGFR" and resid 209  and name HA  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 21462 weight  0.11000E+01 volume 6.65450 ppm1 4.313 ppm2 1.182
ASSI { 21482}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 21482 weight  0.11000E+01 volume 2.49100 ppm1 2.117 ppm2 5.338
ASSI { 21502}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 93  and name HB1  ))
     6 6 0 peak 21502 weight  0.11000E+01 volume 16.96070 ppm1 0.671 ppm2 2.199
ASSI { 21512}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 95  and name HB2  ))
     6 6 0 peak 21512 weight  0.11000E+01 volume 16.66090 ppm1 6.176 ppm2 1.763
ASSI { 21522}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 21522 weight  0.11000E+01 volume 22.36640 ppm1 6.340 ppm2 4.251
ASSI { 21532}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 21532 weight  0.11000E+01 volume 12.93140 ppm1 6.451 ppm2 4.251
ASSI { 21542}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 7  and name HD2  ))
     6 6 0 peak 21542 weight  0.11000E+01 volume 40.07310 ppm1 7.025 ppm2 3.616
ASSI { 21552}
  (( segid "PTBd" and resid 10  and name HD2  ))
  (( segid "PTBd" and resid 7  and name HD1  ))
     6 6 0 peak 21552 weight  0.11000E+01 volume 4.78140 ppm1 7.025 ppm2 3.845
ASSI { 21562}
  (( segid "PTBd" and resid 6  and name HG1#  ))
  (( segid "PTBd" and resid 7  and name HD2  ))
     6 6 0 peak 21562 weight  0.11000E+01 volume 109.05110 ppm1 0.875 ppm2 3.616
ASSI { 21572}
  (( segid "PTBd" and resid 6  and name HG1#  ))
  (( segid "PTBd" and resid 7  and name HD1  ))
     6 6 0 peak 21572 weight  0.11000E+01 volume 19.56060 ppm1 0.875 ppm2 3.845
ASSI { 21582}
  (( segid "PTBd" and resid 109  and name HA  ))
  (( segid "PTBd" and resid 110  and name HB  ))
     6 6 0 peak 21582 weight  0.11000E+01 volume 19.43250 ppm1 4.464 ppm2 2.015
ASSI { 21602}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 21602 weight  0.11000E+01 volume 191.49210 ppm1 1.361 ppm2 1.021
ASSI { 21612}
  (( segid "FGFR" and resid 204  and name HB2  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 21612 weight  0.11000E+01 volume 26.98630 ppm1 2.008 ppm2 0.567
ASSI { 21672}
  (( segid "PTBd" and resid 45  and name HD2  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 21672 weight  0.11000E+01 volume 48.07940 ppm1 3.134 ppm2 1.972
ASSI { 21682}
  (( segid "PTBd" and resid 45  and name HD2  ))
  (( segid "PTBd" and resid 45  and name HB2  ))
     6 6 0 peak 21682 weight  0.11000E+01 volume 53.14020 ppm1 3.134 ppm2 1.897
ASSI { 21692}
  (( segid "PTBd" and resid 45  and name HD2  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 21692 weight  0.11000E+01 volume 44.64510 ppm1 3.133 ppm2 4.340
ASSI { 21702}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "PTBd" and resid 46  and name HB1  ))
     6 6 0 peak 21702 weight  0.11000E+01 volume 56.80330 ppm1 1.360 ppm2 2.671
ASSI { 21712}
  (( segid "FGFR" and resid 204  and name HA  ))
  (( segid "PTBd" and resid 46  and name HB1  ))
     6 6 0 peak 21712 weight  0.11000E+01 volume 135.36540 ppm1 4.446 ppm2 2.671
ASSI { 21722}
  (( segid "FGFR" and resid 204  and name HA  ))
  (( segid "PTBd" and resid 46  and name HB2  ))
     6 6 0 peak 21722 weight  0.11000E+01 volume 119.25490 ppm1 4.446 ppm2 2.557
ASSI { 21732}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 21732 weight  0.11000E+01 volume 6.05620 ppm1 0.567 ppm2 1.403
ASSI { 21742}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HD1  ))
     6 6 0 peak 21742 weight  0.11000E+01 volume 9.98840 ppm1 0.566 ppm2 1.469
ASSI { 21752}
  (( segid "PTBd" and resid 39  and name HG12  ))
  (( segid "PTBd" and resid 49  and name HD2  ))
     6 6 0 peak 21752 weight  0.11000E+01 volume 6.49660 ppm1 0.566 ppm2 1.361
ASSI { 21762}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 21762 weight  0.11000E+01 volume 17.13720 ppm1 0.745 ppm2 4.344
ASSI { 21802}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 21802 weight  0.11000E+01 volume 80.80590 ppm1 3.972 ppm2 1.544
ASSI { 21812}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HB2  ))
     6 6 0 peak 21812 weight  0.11000E+01 volume 2.93780 ppm1 6.643 ppm2 3.188
ASSI { 21822}
  (( segid "FGFR" and resid 213  and name HG11  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 21822 weight  0.11000E+01 volume 15.76540 ppm1 1.324 ppm2 0.817
ASSI { 21832}
  (( segid "FGFR" and resid 213  and name HG11  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 21832 weight  0.11000E+01 volume 80.70060 ppm1 1.324 ppm2 0.773
ASSI { 21842}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 21842 weight  0.11000E+01 volume 131.97321 ppm1 1.858 ppm2 0.909
ASSI { 21852}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 21852 weight  0.11000E+01 volume 65.07460 ppm1 1.858 ppm2 0.864
ASSI { 21882}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 18  and name HB1  ))
     6 6 0 peak 21882 weight  0.11000E+01 volume 9.10960 ppm1 1.023 ppm2 3.101
ASSI { 21892}
  (( segid "PTBd" and resid 103  and name HA  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 21892 weight  0.11000E+01 volume 14.60090 ppm1 4.074 ppm2 0.931
ASSI { 21902}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 13  and name HD1  ))
     6 6 0 peak 21902 weight  0.11000E+01 volume 122.97260 ppm1 1.969 ppm2 1.450
ASSI { 21912}
  (( segid "PTBd" and resid 86  and name HD1  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 21912 weight  0.11000E+01 volume 3.61750 ppm1 3.431 ppm2 1.631
ASSI { 21922}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 21922 weight  0.11000E+01 volume 12.29320 ppm1 0.749 ppm2 3.350
ASSI { 21932}
  (( segid "PTBd" and resid 39  and name HD1#  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 21932 weight  0.11000E+01 volume 8.96450 ppm1 0.749 ppm2 3.600
ASSI { 21942}
  (( segid "PTBd" and resid 14  and name HB1  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 21942 weight  0.11000E+01 volume 155.82690 ppm1 2.619 ppm2 -0.247
ASSI { 21952}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HB1  ))
     6 6 0 peak 21952 weight  0.11000E+01 volume 2.65880 ppm1 6.643 ppm2 3.486
! F3 (1H): 0.04 ppm
! F2 (X): 0.22 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 2.735  and attr rmsd >  2.655  ) 
  and bondedto( attr rmsd <  41.852  and attr rmsd > 41.412  )) 
     ( attr rmsd < 1.887  and attr rmsd > 1.807  ) 
  6 6 0  peak  3872  volume  46.12020 ppm1  2.695  ppm2  1.847
assi (( attr rmsd < 2.735  and attr rmsd >  2.655  ) 
  and bondedto( attr rmsd <  41.852  and attr rmsd > 41.412  )) 
     ( attr rmsd < 1.725  and attr rmsd > 1.645  ) 
  6 6 0  peak  3882  volume  34.23880 ppm1  2.695  ppm2  1.685
assi (( attr rmsd < 2.735  and attr rmsd >  2.655  ) 
  and bondedto( attr rmsd <  41.852  and attr rmsd > 41.412  )) 
     ( attr rmsd < 0.916  and attr rmsd > 0.836  ) 
  6 6 0  peak  3922  volume  37.49260 ppm1  2.695  ppm2  0.876
assi (( attr rmsd < 3.005  and attr rmsd >  2.925  ) 
  and bondedto( attr rmsd <  41.852  and attr rmsd > 41.412  )) 
     ( attr rmsd < 2.632  and attr rmsd > 2.552  ) 
  6 6 0  peak  4652  volume  51.92090 ppm1  2.965  ppm2  2.592
assi (( attr rmsd < 2.528  and attr rmsd >  2.448  ) 
  and bondedto( attr rmsd <  32.97  and attr rmsd > 32.53  )) 
     ( attr rmsd < 3.161  and attr rmsd > 3.081  ) 
  6 6 0  peak  5432  volume  19.13750 ppm1  2.488  ppm2  3.121
assi (( attr rmsd < 4.158  and attr rmsd >  4.078  ) 
  and bondedto( attr rmsd <  59.108  and attr rmsd > 58.668  )) 
     ( attr rmsd < 0.893  and attr rmsd > 0.813  ) 
  6 6 0  peak  5692  volume  31.47360 ppm1  4.118  ppm2  0.853
assi (( attr rmsd < 2.439  and attr rmsd >  2.359  ) 
  and bondedto( attr rmsd <  36.269  and attr rmsd > 35.829  )) 
     ( attr rmsd < 0.942  and attr rmsd > 0.862  ) 
  6 6 0  peak  6012  volume  9.04610 ppm1  2.399  ppm2  0.902
assi (( attr rmsd < 2.324  and attr rmsd >  2.244  ) 
  and bondedto( attr rmsd <  36.269  and attr rmsd > 35.829  )) 
     ( attr rmsd < 0.942  and attr rmsd > 0.862  ) 
  6 6 0  peak  6022  volume  9.87040 ppm1  2.284  ppm2  0.902
assi (( attr rmsd < 1.99  and attr rmsd >  1.91  ) 
  and bondedto( attr rmsd <  30.432  and attr rmsd > 29.992  )) 
     ( attr rmsd < 0.942  and attr rmsd > 0.862  ) 
  6 6 0  peak  6172  volume  739.53369 ppm1  1.950  ppm2  0.902
assi (( attr rmsd < 2.081  and attr rmsd >  2.001  ) 
  and bondedto( attr rmsd <  30.432  and attr rmsd > 29.992  )) 
     ( attr rmsd < 0.942  and attr rmsd > 0.862  ) 
  6 6 0  peak  6182  volume  20.09020 ppm1  2.041  ppm2  0.902
assi (( attr rmsd < 2.237  and attr rmsd >  2.157  ) 
  and bondedto( attr rmsd <  36.269  and attr rmsd > 35.829  )) 
     ( attr rmsd < 0.934  and attr rmsd > 0.854  ) 
  6 6 0  peak  6372  volume  18.73470 ppm1  2.197  ppm2  0.894
assi (( attr rmsd < 2.237  and attr rmsd >  2.157  ) 
  and bondedto( attr rmsd <  36.269  and attr rmsd > 35.829  )) 
     ( attr rmsd < 0.899  and attr rmsd > 0.819  ) 
  6 6 0  peak  6382  volume  20.22680 ppm1  2.197  ppm2  0.859
assi (( attr rmsd < 2.284  and attr rmsd >  2.204  ) 
  and bondedto( attr rmsd <  30.432  and attr rmsd > 29.992  )) 
     ( attr rmsd < 3.273  and attr rmsd > 3.193  ) 
  6 6 0  peak  6562  volume  3.36840 ppm1  2.244  ppm2  3.233
assi (( attr rmsd < 2.284  and attr rmsd >  2.204  ) 
  and bondedto( attr rmsd <  30.432  and attr rmsd > 29.992  )) 
     ( attr rmsd < 2.709  and attr rmsd > 2.629  ) 
  6 6 0  peak  6572  volume  13.92180 ppm1  2.244  ppm2  2.669
assi (( attr rmsd < 2.285  and attr rmsd >  2.205  ) 
  and bondedto( attr rmsd <  30.432  and attr rmsd > 29.992  )) 
     ( attr rmsd < 1.821  and attr rmsd > 1.741  ) 
  6 6 0  peak  6582  volume  76.31270 ppm1  2.245  ppm2  1.781
assi (( attr rmsd < 2.26  and attr rmsd >  2.18  ) 
  and bondedto( attr rmsd <  36.269  and attr rmsd > 35.829  )) 
     ( attr rmsd < 5.26  and attr rmsd > 5.18  ) 
  6 6 0  peak  6802  volume  32.28780 ppm1  2.220  ppm2  5.220
assi (( attr rmsd < 3.047  and attr rmsd >  2.967  ) 
  and bondedto( attr rmsd <  39.568  and attr rmsd > 39.128  )) 
     ( attr rmsd < 1.549  and attr rmsd > 1.469  ) 
  6 6 0  peak  7212  volume  17.42380 ppm1  3.007  ppm2  1.509
assi (( attr rmsd < 3.047  and attr rmsd >  2.967  ) 
  and bondedto( attr rmsd <  39.568  and attr rmsd > 39.128  )) 
     ( attr rmsd < 0.822  and attr rmsd > 0.742  ) 
  6 6 0  peak  7222  volume  11.24650 ppm1  3.007  ppm2  0.782
assi (( attr rmsd < 3.047  and attr rmsd >  2.967  ) 
  and bondedto( attr rmsd <  39.568  and attr rmsd > 39.128  )) 
     ( attr rmsd < 0.866  and attr rmsd > 0.786  ) 
  6 6 0  peak  7232  volume  16.14960 ppm1  3.007  ppm2  0.826
assi (( attr rmsd < 5.788  and attr rmsd >  5.708  ) 
  and bondedto( attr rmsd <  56.063  and attr rmsd > 55.623  )) 
     ( attr rmsd < 3.184  and attr rmsd > 3.104  ) 
  6 6 0  peak  8022  volume  6.91950 ppm1  5.748  ppm2  3.144
assi (( attr rmsd < 4.698  and attr rmsd >  4.618  ) 
  and bondedto( attr rmsd <  58.347  and attr rmsd > 57.907  )) 
     ( attr rmsd < 3.139  and attr rmsd > 3.059  ) 
  6 6 0  peak  8582  volume  35.87730 ppm1  4.658  ppm2  3.099
assi (( attr rmsd < 5.447  and attr rmsd >  5.367  ) 
  and bondedto( attr rmsd <  56.063  and attr rmsd > 55.623  )) 
     ( attr rmsd < 3.156  and attr rmsd > 3.076  ) 
  6 6 0  peak  8952  volume  18.98100 ppm1  5.407  ppm2  3.116
assi (( attr rmsd < 5.447  and attr rmsd >  5.367  ) 
  and bondedto( attr rmsd <  56.063  and attr rmsd > 55.623  )) 
     ( attr rmsd < 1.198  and attr rmsd > 1.118  ) 
  6 6 0  peak  8972  volume  7.97890 ppm1  5.407  ppm2  1.158
assi (( attr rmsd < 2.802  and attr rmsd >  2.722  ) 
  and bondedto( attr rmsd <  31.193  and attr rmsd > 30.753  )) 
     ( attr rmsd < 2.124  and attr rmsd > 2.044  ) 
  6 6 0  peak  9642  volume  5.82580 ppm1  2.762  ppm2  2.084
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 1.126  and attr rmsd > 1.046  ) 
  6 6 0  peak  10172  volume  12.12530 ppm1  2.084  ppm2  1.086
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 1.761  and attr rmsd > 1.681  ) 
  6 6 0  peak  10182  volume  80.98590 ppm1  2.084  ppm2  1.721
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 1.619  and attr rmsd > 1.539  ) 
  6 6 0  peak  10192  volume  46.36670 ppm1  2.084  ppm2  1.579
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 1.556  and attr rmsd > 1.476  ) 
  6 6 0  peak  10202  volume  67.23410 ppm1  2.084  ppm2  1.516
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 2.372  and attr rmsd > 2.292  ) 
  6 6 0  peak  10212  volume  35.30980 ppm1  2.084  ppm2  2.332
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.49  and attr rmsd > 17.05  )) 
     ( attr rmsd < 2.621  and attr rmsd > 2.541  ) 
  6 6 0  peak  10222  volume  30.77970 ppm1  2.084  ppm2  2.581
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 3.183  and attr rmsd > 3.103  ) 
  6 6 0  peak  10242  volume  51.66030 ppm1  2.084  ppm2  3.143
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 3.126  and attr rmsd > 3.046  ) 
  6 6 0  peak  10252  volume  16.41100 ppm1  2.084  ppm2  3.086
assi (( attr rmsd < 2.124  and attr rmsd >  2.044  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 2.874  and attr rmsd > 2.794  ) 
  6 6 0  peak  10272  volume  20.12230 ppm1  2.084  ppm2  2.834
assi (( attr rmsd < 2.692  and attr rmsd >  2.612  ) 
  and bondedto( attr rmsd <  33.477  and attr rmsd > 33.037  )) 
     ( attr rmsd < 0.807  and attr rmsd > 0.727  ) 
  6 6 0  peak  10482  volume  4.34000 ppm1  2.652  ppm2  0.767
assi (( attr rmsd < 2.26  and attr rmsd >  2.18  ) 
  and bondedto( attr rmsd <  33.477  and attr rmsd > 33.037  )) 
     ( attr rmsd < 0.807  and attr rmsd > 0.727  ) 
  6 6 0  peak  10492  volume  7.05830 ppm1  2.220  ppm2  0.767
assi (( attr rmsd < 3.932  and attr rmsd >  3.852  ) 
  and bondedto( attr rmsd <  59.362  and attr rmsd > 58.922  )) 
     ( attr rmsd < 1.582  and attr rmsd > 1.502  ) 
  6 6 0  peak  10522  volume  10.31530 ppm1  3.892  ppm2  1.542
assi (( attr rmsd < 3.932  and attr rmsd >  3.852  ) 
  and bondedto( attr rmsd <  59.362  and attr rmsd > 58.922  )) 
     ( attr rmsd < 3.003  and attr rmsd > 2.923  ) 
  6 6 0  peak  10602  volume  48.49210 ppm1  3.892  ppm2  2.963
assi (( attr rmsd < 3.933  and attr rmsd >  3.853  ) 
  and bondedto( attr rmsd <  59.362  and attr rmsd > 58.922  )) 
     ( attr rmsd < 0.255  and attr rmsd > 0.175  ) 
  6 6 0  peak  10612  volume  15.35860 ppm1  3.893  ppm2  0.215
assi (( attr rmsd < 3.932  and attr rmsd >  3.852  ) 
  and bondedto( attr rmsd <  59.362  and attr rmsd > 58.922  )) 
     ( attr rmsd < 0.949  and attr rmsd > 0.869  ) 
  6 6 0  peak  10632  volume  39.50520 ppm1  3.892  ppm2  0.909
assi (( attr rmsd < 1.898  and attr rmsd >  1.818  ) 
  and bondedto( attr rmsd <  18.758  and attr rmsd > 18.318  )) 
     ( attr rmsd < 4.122  and attr rmsd > 4.042  ) 
  6 6 0  peak  10702  volume  10.53580 ppm1  1.858  ppm2  4.082
assi (( attr rmsd < 1.898  and attr rmsd >  1.818  ) 
  and bondedto( attr rmsd <  18.758  and attr rmsd > 18.318  )) 
     ( attr rmsd < 2.406  and attr rmsd > 2.326  ) 
  6 6 0  peak  10752  volume  19.69820 ppm1  1.858  ppm2  2.366
assi (( attr rmsd < 1.898  and attr rmsd >  1.818  ) 
  and bondedto( attr rmsd <  18.758  and attr rmsd > 18.318  )) 
     ( attr rmsd < 1.579  and attr rmsd > 1.499  ) 
  6 6 0  peak  10762  volume  11.21120 ppm1  1.858  ppm2  1.539
assi (( attr rmsd < 1.899  and attr rmsd >  1.819  ) 
  and bondedto( attr rmsd <  18.758  and attr rmsd > 18.318  )) 
     ( attr rmsd < 1.322  and attr rmsd > 1.242  ) 
  6 6 0  peak  10772  volume  18.81940 ppm1  1.859  ppm2  1.282
assi (( attr rmsd < 3.16  and attr rmsd >  3.08  ) 
  and bondedto( attr rmsd <  30.178  and attr rmsd > 29.738  )) 
     ( attr rmsd < 4.574  and attr rmsd > 4.494  ) 
  6 6 0  peak  11992  volume  41.05600 ppm1  3.120  ppm2  4.534
assi (( attr rmsd < 5.222  and attr rmsd >  5.142  ) 
  and bondedto( attr rmsd <  51.495  and attr rmsd > 51.055  )) 
     ( attr rmsd < 7.149  and attr rmsd > 7.069  ) 
  6 6 0  peak  12932  volume  8.24210 ppm1  5.182  ppm2  7.109
assi (( attr rmsd < 1.19  and attr rmsd >  1.11  ) 
  and bondedto( attr rmsd <  23.58  and attr rmsd > 23.14  )) 
     ( attr rmsd < 7.15  and attr rmsd > 7.07  ) 
  6 6 0  peak  12962  volume  10.18670 ppm1  1.150  ppm2  7.110
assi (( attr rmsd < 1.19  and attr rmsd >  1.11  ) 
  and bondedto( attr rmsd <  23.58  and attr rmsd > 23.14  )) 
     ( attr rmsd < 4.555  and attr rmsd > 4.475  ) 
  6 6 0  peak  13012  volume  5.69400 ppm1  1.150  ppm2  4.515
assi (( attr rmsd < 1.19  and attr rmsd >  1.11  ) 
  and bondedto( attr rmsd <  23.58  and attr rmsd > 23.14  )) 
     ( attr rmsd < 0.57  and attr rmsd > 0.49  ) 
  6 6 0  peak  13082  volume  37.37820 ppm1  1.150  ppm2  0.530
assi (( attr rmsd < 0.677  and attr rmsd >  0.597  ) 
  and bondedto( attr rmsd <  18.251  and attr rmsd > 17.811  )) 
     ( attr rmsd < 4.495  and attr rmsd > 4.415  ) 
  6 6 0  peak  13472  volume  12.76490 ppm1  0.637  ppm2  4.455
assi (( attr rmsd < 0.857  and attr rmsd >  0.777  ) 
  and bondedto( attr rmsd <  22.057  and attr rmsd > 21.617  )) 
     ( attr rmsd < 4.495  and attr rmsd > 4.415  ) 
  6 6 0  peak  13512  volume  73.07480 ppm1  0.817  ppm2  4.455
assi (( attr rmsd < 5.626  and attr rmsd >  5.546  ) 
  and bondedto( attr rmsd <  59.108  and attr rmsd > 58.668  )) 
     ( attr rmsd < 1.672  and attr rmsd > 1.592  ) 
  6 6 0  peak  13532  volume  6.43140 ppm1  5.586  ppm2  1.632
assi (( attr rmsd < 0.927  and attr rmsd >  0.847  ) 
  and bondedto( attr rmsd <  14.444  and attr rmsd > 14.004  )) 
     ( attr rmsd < 1.294  and attr rmsd > 1.214  ) 
  6 6 0  peak  13842  volume  46.69060 ppm1  0.887  ppm2  1.254
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 6.802  and attr rmsd > 6.722  ) 
  6 6 0  peak  14292  volume  11.20470 ppm1  1.266  ppm2  6.762
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 5.452  and attr rmsd > 5.372  ) 
  6 6 0  peak  14332  volume  41.89450 ppm1  1.266  ppm2  5.412
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 4.352  and attr rmsd > 4.272  ) 
  6 6 0  peak  14342  volume  69.44210 ppm1  1.266  ppm2  4.312
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 3.168  and attr rmsd > 3.088  ) 
  6 6 0  peak  14352  volume  18.95790 ppm1  1.266  ppm2  3.128
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 2.843  and attr rmsd > 2.763  ) 
  6 6 0  peak  14382  volume  10.17580 ppm1  1.266  ppm2  2.803
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 2.463  and attr rmsd > 2.383  ) 
  6 6 0  peak  14402  volume  9.20020 ppm1  1.266  ppm2  2.423
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 2.296  and attr rmsd > 2.216  ) 
  6 6 0  peak  14412  volume  22.57840 ppm1  1.266  ppm2  2.256
assi (( attr rmsd < 1.306  and attr rmsd >  1.226  ) 
  and bondedto( attr rmsd <  17.489  and attr rmsd > 17.049  )) 
     ( attr rmsd < 1.747  and attr rmsd > 1.667  ) 
  6 6 0  peak  14422  volume  12.56870 ppm1  1.266  ppm2  1.707
assi (( attr rmsd < 0.813  and attr rmsd >  0.733  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 2.782  and attr rmsd > 2.702  ) 
  6 6 0  peak  14552  volume  15.77010 ppm1  0.773  ppm2  2.742
assi (( attr rmsd < 5.447  and attr rmsd >  5.367  ) 
  and bondedto( attr rmsd <  55.048  and attr rmsd > 54.608  )) 
     ( attr rmsd < 3.172  and attr rmsd > 3.092  ) 
  6 6 0  peak  15012  volume  5.82560 ppm1  5.407  ppm2  3.132
assi (( attr rmsd < 0.812  and attr rmsd >  0.732  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 3.02  and attr rmsd > 2.94  ) 
  6 6 0  peak  15112  volume  49.66600 ppm1  0.772  ppm2  2.980
assi (( attr rmsd < 0.857  and attr rmsd >  0.777  ) 
  and bondedto( attr rmsd <  24.849  and attr rmsd > 24.409  )) 
     ( attr rmsd < 1.841  and attr rmsd > 1.761  ) 
  6 6 0  peak  15152  volume  25.16000 ppm1  0.817  ppm2  1.801
assi (( attr rmsd < 0.857  and attr rmsd >  0.777  ) 
  and bondedto( attr rmsd <  24.849  and attr rmsd > 24.409  )) 
     ( attr rmsd < 1.726  and attr rmsd > 1.646  ) 
  6 6 0  peak  15162  volume  1060.30322 ppm1  0.817  ppm2  1.686
assi (( attr rmsd < 0.814  and attr rmsd >  0.734  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 1.727  and attr rmsd > 1.647  ) 
  6 6 0  peak  15192  volume  100.24920 ppm1  0.774  ppm2  1.687
assi (( attr rmsd < 0.812  and attr rmsd >  0.732  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 2.922  and attr rmsd > 2.842  ) 
  6 6 0  peak  15242  volume  21.94520 ppm1  0.772  ppm2  2.882
assi (( attr rmsd < 0.79  and attr rmsd >  0.71  ) 
  and bondedto( attr rmsd <  14.444  and attr rmsd > 14.004  )) 
     ( attr rmsd < 1.982  and attr rmsd > 1.902  ) 
  6 6 0  peak  15362  volume  69.26840 ppm1  0.750  ppm2  1.942
assi (( attr rmsd < 1.671  and attr rmsd >  1.591  ) 
  and bondedto( attr rmsd <  41.09  and attr rmsd > 40.65  )) 
     ( attr rmsd < 2.249  and attr rmsd > 2.169  ) 
  6 6 0  peak  15372  volume  22.91100 ppm1  1.631  ppm2  2.209
assi (( attr rmsd < 0.269  and attr rmsd >  0.189  ) 
  and bondedto( attr rmsd <  17.236  and attr rmsd > 16.796  )) 
     ( attr rmsd < 1.984  and attr rmsd > 1.904  ) 
  6 6 0  peak  15522  volume  12.19370 ppm1  0.229  ppm2  1.944
assi (( attr rmsd < 0.269  and attr rmsd >  0.189  ) 
  and bondedto( attr rmsd <  17.236  and attr rmsd > 16.796  )) 
     ( attr rmsd < 1.792  and attr rmsd > 1.712  ) 
  6 6 0  peak  15542  volume  7.74520 ppm1  0.229  ppm2  1.752
assi (( attr rmsd < 0.269  and attr rmsd >  0.189  ) 
  and bondedto( attr rmsd <  17.236  and attr rmsd > 16.796  )) 
     ( attr rmsd < 2.096  and attr rmsd > 2.016  ) 
  6 6 0  peak  15552  volume  13.12770 ppm1  0.229  ppm2  2.056
assi (( attr rmsd < 0.269  and attr rmsd >  0.189  ) 
  and bondedto( attr rmsd <  17.236  and attr rmsd > 16.796  )) 
     ( attr rmsd < 1.294  and attr rmsd > 1.214  ) 
  6 6 0  peak  15562  volume  25.12940 ppm1  0.229  ppm2  1.254
assi (( attr rmsd < 0.269  and attr rmsd >  0.189  ) 
  and bondedto( attr rmsd <  17.236  and attr rmsd > 16.796  )) 
     ( attr rmsd < 0.453  and attr rmsd > 0.373  ) 
  6 6 0  peak  15602  volume  24.71150 ppm1  0.229  ppm2  0.413
assi (( attr rmsd < 0.607  and attr rmsd >  0.527  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 1.984  and attr rmsd > 1.904  ) 
  6 6 0  peak  15952  volume  9.48320 ppm1  0.567  ppm2  1.944
assi (( attr rmsd < 0.699  and attr rmsd >  0.619  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 5.197  and attr rmsd > 5.117  ) 
  6 6 0  peak  16582  volume  6.94100 ppm1  0.659  ppm2  5.157
assi (( attr rmsd < 0.699  and attr rmsd >  0.619  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 6.686  and attr rmsd > 6.606  ) 
  6 6 0  peak  16632  volume  29.71700 ppm1  0.659  ppm2  6.646
assi (( attr rmsd < 0.699  and attr rmsd >  0.619  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 8.19  and attr rmsd > 8.11  ) 
  6 6 0  peak  16652  volume  18.05980 ppm1  0.659  ppm2  8.150
assi (( attr rmsd < 0.699  and attr rmsd >  0.619  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 8.346  and attr rmsd > 8.266  ) 
  6 6 0  peak  16662  volume  25.79760 ppm1  0.659  ppm2  8.306
assi (( attr rmsd < -0.544  and attr rmsd >  -0.624  ) 
  and bondedto( attr rmsd <  23.072  and attr rmsd > 22.632  )) 
     ( attr rmsd < 2.682  and attr rmsd > 2.602  ) 
  6 6 0  peak  17052  volume  28.38680 ppm1  -0.584  ppm2  2.642
assi (( attr rmsd < -0.544  and attr rmsd >  -0.624  ) 
  and bondedto( attr rmsd <  23.072  and attr rmsd > 22.632  )) 
     ( attr rmsd < 6.799  and attr rmsd > 6.719  ) 
  6 6 0  peak  17092  volume  46.69560 ppm1  -0.584  ppm2  6.759
assi (( attr rmsd < -0.207  and attr rmsd >  -0.287  ) 
  and bondedto( attr rmsd <  25.103  and attr rmsd > 24.663  )) 
     ( attr rmsd < 0.962  and attr rmsd > 0.882  ) 
  6 6 0  peak  17482  volume  9.77470 ppm1  -0.247  ppm2  0.922
assi (( attr rmsd < -0.207  and attr rmsd >  -0.287  ) 
  and bondedto( attr rmsd <  25.103  and attr rmsd > 24.663  )) 
     ( attr rmsd < 1.604  and attr rmsd > 1.524  ) 
  6 6 0  peak  17492  volume  19.49230 ppm1  -0.247  ppm2  1.564
assi (( attr rmsd < 1.852  and attr rmsd >  1.772  ) 
  and bondedto( attr rmsd <  19.773  and attr rmsd > 19.333  )) 
     ( attr rmsd < 7.151  and attr rmsd > 7.071  ) 
  6 6 0  peak  17712  volume  10.83610 ppm1  1.812  ppm2  7.111
assi (( attr rmsd < 1.852  and attr rmsd >  1.772  ) 
  and bondedto( attr rmsd <  19.773  and attr rmsd > 19.333  )) 
     ( attr rmsd < 0.826  and attr rmsd > 0.746  ) 
  6 6 0  peak  17732  volume  41.26250 ppm1  1.812  ppm2  0.786
assi (( attr rmsd < 0.655  and attr rmsd >  0.575  ) 
  and bondedto( attr rmsd <  19.266  and attr rmsd > 18.826  )) 
     ( attr rmsd < 3.174  and attr rmsd > 3.094  ) 
  6 6 0  peak  17782  volume  24.32630 ppm1  0.615  ppm2  3.134
assi (( attr rmsd < 2.035  and attr rmsd >  1.955  ) 
  and bondedto( attr rmsd <  27.64  and attr rmsd > 27.2  )) 
     ( attr rmsd < 6.687  and attr rmsd > 6.607  ) 
  6 6 0  peak  18112  volume  42.85830 ppm1  1.995  ppm2  6.647
assi (( attr rmsd < 0.653  and attr rmsd >  0.573  ) 
  and bondedto( attr rmsd <  23.834  and attr rmsd > 23.394  )) 
     ( attr rmsd < 3.525  and attr rmsd > 3.445  ) 
  6 6 0  peak  18462  volume  5.84370 ppm1  0.613  ppm2  3.485
assi (( attr rmsd < 0.653  and attr rmsd >  0.573  ) 
  and bondedto( attr rmsd <  23.834  and attr rmsd > 23.394  )) 
     ( attr rmsd < 3.165  and attr rmsd > 3.085  ) 
  6 6 0  peak  18502  volume  12.05940 ppm1  0.613  ppm2  3.125
assi (( attr rmsd < 0.653  and attr rmsd >  0.573  ) 
  and bondedto( attr rmsd <  23.834  and attr rmsd > 23.394  )) 
     ( attr rmsd < 1.743  and attr rmsd > 1.663  ) 
  6 6 0  peak  18532  volume  11.87580 ppm1  0.613  ppm2  1.703
assi (( attr rmsd < 0.791  and attr rmsd >  0.711  ) 
  and bondedto( attr rmsd <  26.118  and attr rmsd > 25.678  )) 
     ( attr rmsd < 1.04  and attr rmsd > 0.96  ) 
  6 6 0  peak  18622  volume  24.92730 ppm1  0.751  ppm2  1.000
assi (( attr rmsd < 0.791  and attr rmsd >  0.711  ) 
  and bondedto( attr rmsd <  26.118  and attr rmsd > 25.678  )) 
     ( attr rmsd < 2.661  and attr rmsd > 2.581  ) 
  6 6 0  peak  18642  volume  61.85180 ppm1  0.751  ppm2  2.621
assi (( attr rmsd < 0.792  and attr rmsd >  0.712  ) 
  and bondedto( attr rmsd <  26.118  and attr rmsd > 25.678  )) 
     ( attr rmsd < 3.068  and attr rmsd > 2.988  ) 
  6 6 0  peak  18652  volume  32.11910 ppm1  0.752  ppm2  3.028
assi (( attr rmsd < 0.791  and attr rmsd >  0.711  ) 
  and bondedto( attr rmsd <  26.118  and attr rmsd > 25.678  )) 
     ( attr rmsd < 7.153  and attr rmsd > 7.073  ) 
  6 6 0  peak  18732  volume  40.27410 ppm1  0.751  ppm2  7.113
assi (( attr rmsd < 0.25  and attr rmsd >  0.17  ) 
  and bondedto( attr rmsd <  24.595  and attr rmsd > 24.155  )) 
     ( attr rmsd < 3.04  and attr rmsd > 2.96  ) 
  6 6 0  peak  18742  volume  16.19930 ppm1  0.210  ppm2  3.000
assi (( attr rmsd < 0.903  and attr rmsd >  0.823  ) 
  and bondedto( attr rmsd <  19.012  and attr rmsd > 18.572  )) 
     ( attr rmsd < 3.934  and attr rmsd > 3.854  ) 
  6 6 0  peak  19252  volume  35.90650 ppm1  0.863  ppm2  3.894
assi (( attr rmsd < 0.903  and attr rmsd >  0.823  ) 
  and bondedto( attr rmsd <  19.012  and attr rmsd > 18.572  )) 
     ( attr rmsd < 2.105  and attr rmsd > 2.025  ) 
  6 6 0  peak  19262  volume  34.34750 ppm1  0.863  ppm2  2.065
assi (( attr rmsd < 0.949  and attr rmsd >  0.869  ) 
  and bondedto( attr rmsd <  22.057  and attr rmsd > 21.617  )) 
     ( attr rmsd < 3.935  and attr rmsd > 3.855  ) 
  6 6 0  peak  19392  volume  16.78770 ppm1  0.909  ppm2  3.895
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 3.007  and attr rmsd > 2.927  ) 
  6 6 0  peak  19512  volume  33.03040 ppm1  0.591  ppm2  2.967
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 2.676  and attr rmsd > 2.596  ) 
  6 6 0  peak  19522  volume  55.81290 ppm1  0.591  ppm2  2.636
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 4.335  and attr rmsd > 4.255  ) 
  6 6 0  peak  19582  volume  12.63950 ppm1  0.591  ppm2  4.295
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 2.863  and attr rmsd > 2.783  ) 
  6 6 0  peak  19602  volume  12.85420 ppm1  0.591  ppm2  2.823
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 2.764  and attr rmsd > 2.684  ) 
  6 6 0  peak  19612  volume  7.32200 ppm1  0.591  ppm2  2.724
assi (( attr rmsd < 0.631  and attr rmsd >  0.551  ) 
  and bondedto( attr rmsd <  17.743  and attr rmsd > 17.303  )) 
     ( attr rmsd < 2.243  and attr rmsd > 2.163  ) 
  6 6 0  peak  19622  volume  10.10000 ppm1  0.591  ppm2  2.203
assi (( attr rmsd < 0.744  and attr rmsd >  0.664  ) 
  and bondedto( attr rmsd <  14.952  and attr rmsd > 14.512  )) 
     ( attr rmsd < 1.984  and attr rmsd > 1.904  ) 
  6 6 0  peak  19712  volume  25.64020 ppm1  0.704  ppm2  1.944
assi (( attr rmsd < 0.744  and attr rmsd >  0.664  ) 
  and bondedto( attr rmsd <  14.952  and attr rmsd > 14.512  )) 
     ( attr rmsd < 3.007  and attr rmsd > 2.927  ) 
  6 6 0  peak  19722  volume  12.52630 ppm1  0.704  ppm2  2.967
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  13.429  and attr rmsd > 12.989  )) 
     ( attr rmsd < 4.342  and attr rmsd > 4.262  ) 
  6 6 0  peak  19872  volume  27.77710 ppm1  0.885  ppm2  4.302
assi (( attr rmsd < 4.519  and attr rmsd >  4.439  ) 
  and bondedto( attr rmsd <  71.543  and attr rmsd > 71.103  )) 
     ( attr rmsd < 3.157  and attr rmsd > 3.077  ) 
  6 6 0  peak  20102  volume  24.77750 ppm1  4.479  ppm2  3.117
assi (( attr rmsd < 4.519  and attr rmsd >  4.439  ) 
  and bondedto( attr rmsd <  71.543  and attr rmsd > 71.103  )) 
     ( attr rmsd < 2.746  and attr rmsd > 2.666  ) 
  6 6 0  peak  20112  volume  12.78520 ppm1  4.479  ppm2  2.706
assi (( attr rmsd < 4.519  and attr rmsd >  4.439  ) 
  and bondedto( attr rmsd <  71.543  and attr rmsd > 71.103  )) 
     ( attr rmsd < 7.137  and attr rmsd > 7.057  ) 
  6 6 0  peak  20122  volume  44.22240 ppm1  4.479  ppm2  7.097
assi (( attr rmsd < 1.127  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 2.743  and attr rmsd > 2.663  ) 
  6 6 0  peak  20152  volume  29.13920 ppm1  1.087  ppm2  2.703
assi (( attr rmsd < 1.127  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 3.161  and attr rmsd > 3.081  ) 
  6 6 0  peak  20162  volume  15.21460 ppm1  1.087  ppm2  3.121
assi (( attr rmsd < 0.949  and attr rmsd >  0.869  ) 
  and bondedto( attr rmsd <  25.356  and attr rmsd > 24.916  )) 
     ( attr rmsd < 3.206  and attr rmsd > 3.126  ) 
  6 6 0  peak  20222  volume  9.60240 ppm1  0.909  ppm2  3.166
assi (( attr rmsd < 0.339  and attr rmsd >  0.259  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 5.321  and attr rmsd > 5.241  ) 
  6 6 0  peak  20242  volume  15.27660 ppm1  0.299  ppm2  5.281
assi (( attr rmsd < 0.449  and attr rmsd >  0.369  ) 
  and bondedto( attr rmsd <  25.103  and attr rmsd > 24.663  )) 
     ( attr rmsd < 5.321  and attr rmsd > 5.241  ) 
  6 6 0  peak  20252  volume  9.46510 ppm1  0.409  ppm2  5.281
assi (( attr rmsd < 1.783  and attr rmsd >  1.703  ) 
  and bondedto( attr rmsd <  29.671  and attr rmsd > 29.231  )) 
     ( attr rmsd < 4.487  and attr rmsd > 4.407  ) 
  6 6 0  peak  20452  volume  70.56810 ppm1  1.743  ppm2  4.447
assi (( attr rmsd < 0.655  and attr rmsd >  0.575  ) 
  and bondedto( attr rmsd <  19.266  and attr rmsd > 18.826  )) 
     ( attr rmsd < 2.99  and attr rmsd > 2.91  ) 
  6 6 0  peak  20542  volume  14.89140 ppm1  0.615  ppm2  2.950
assi (( attr rmsd < 1.241  and attr rmsd >  1.161  ) 
  and bondedto( attr rmsd <  22.057  and attr rmsd > 21.617  )) 
     ( attr rmsd < 1.714  and attr rmsd > 1.634  ) 
  6 6 0  peak  20732  volume  120.48380 ppm1  1.201  ppm2  1.674
assi (( attr rmsd < 1.241  and attr rmsd >  1.161  ) 
  and bondedto( attr rmsd <  22.057  and attr rmsd > 21.617  )) 
     ( attr rmsd < 1.487  and attr rmsd > 1.407  ) 
  6 6 0  peak  20742  volume  51.45560 ppm1  1.201  ppm2  1.447
assi (( attr rmsd < -0.207  and attr rmsd >  -0.287  ) 
  and bondedto( attr rmsd <  25.103  and attr rmsd > 24.663  )) 
     ( attr rmsd < 5.652  and attr rmsd > 5.572  ) 
  6 6 0  peak  20812  volume  4.80960 ppm1  -0.247  ppm2  5.612
assi (( attr rmsd < 4.478  and attr rmsd >  4.398  ) 
  and bondedto( attr rmsd <  71.036  and attr rmsd > 70.596  )) 
     ( attr rmsd < 1.999  and attr rmsd > 1.919  ) 
  6 6 0  peak  20852  volume  8.19790 ppm1  4.438  ppm2  1.959
assi (( attr rmsd < 4.478  and attr rmsd >  4.398  ) 
  and bondedto( attr rmsd <  71.036  and attr rmsd > 70.596  )) 
     ( attr rmsd < 1.912  and attr rmsd > 1.832  ) 
  6 6 0  peak  20932  volume  7.73770 ppm1  4.438  ppm2  1.872
assi (( attr rmsd < 3.005  and attr rmsd >  2.925  ) 
  and bondedto( attr rmsd <  41.852  and attr rmsd > 41.412  )) 
     ( attr rmsd < 4.487  and attr rmsd > 4.407  ) 
  6 6 0  peak  20942  volume  28.40330 ppm1  2.965  ppm2  4.447
assi (( attr rmsd < 0.903  and attr rmsd >  0.823  ) 
  and bondedto( attr rmsd <  19.012  and attr rmsd > 18.572  )) 
     ( attr rmsd < 4.55  and attr rmsd > 4.47  ) 
  6 6 0  peak  21152  volume  13.42360 ppm1  0.863  ppm2  4.510
assi (( attr rmsd < 0.949  and attr rmsd >  0.869  ) 
  and bondedto( attr rmsd <  22.057  and attr rmsd > 21.617  )) 
     ( attr rmsd < 1.748  and attr rmsd > 1.668  ) 
  6 6 0  peak  21202  volume  17.65360 ppm1  0.909  ppm2  1.708
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 3.021  and attr rmsd > 2.941  ) 
  6 6 0  peak  21292  volume  29.36470 ppm1  0.885  ppm2  2.981
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 3.173  and attr rmsd > 3.093  ) 
  6 6 0  peak  21302  volume  5.71269 ppm1  0.885  ppm2  3.133
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 2.172  and attr rmsd > 2.092  ) 
  6 6 0  peak  21322  volume  142.90410 ppm1  0.885  ppm2  2.132
assi (( attr rmsd < 0.904  and attr rmsd >  0.824  ) 
  and bondedto( attr rmsd <  20.789  and attr rmsd > 20.349  )) 
     ( attr rmsd < 1.401  and attr rmsd > 1.321  ) 
  6 6 0  peak  21332  volume  66.43060 ppm1  0.864  ppm2  1.361
assi (( attr rmsd < 0.904  and attr rmsd >  0.824  ) 
  and bondedto( attr rmsd <  20.789  and attr rmsd > 20.349  )) 
     ( attr rmsd < 1.632  and attr rmsd > 1.552  ) 
  6 6 0  peak  21342  volume  46.55100 ppm1  0.864  ppm2  1.592
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 2.732  and attr rmsd > 2.652  ) 
  6 6 0  peak  21352  volume  53.09150 ppm1  0.885  ppm2  2.692
assi (( attr rmsd < 0.925  and attr rmsd >  0.845  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 2.304  and attr rmsd > 2.224  ) 
  6 6 0  peak  21362  volume  68.45690 ppm1  0.885  ppm2  2.264
assi (( attr rmsd < 3.186  and attr rmsd >  3.106  ) 
  and bondedto( attr rmsd <  43.374  and attr rmsd > 42.934  )) 
     ( attr rmsd < 1.4  and attr rmsd > 1.32  ) 
  6 6 0  peak  21492  volume  44.00160 ppm1  3.146  ppm2  1.360
assi (( attr rmsd < 0.95  and attr rmsd >  0.87  ) 
  and bondedto( attr rmsd <  25.356  and attr rmsd > 24.916  )) 
     ( attr rmsd < 5.091  and attr rmsd > 5.011  ) 
  6 6 0  peak  21592  volume  7.45650 ppm1  0.910  ppm2  5.051
assi (( attr rmsd < 1.127  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 4.021  and attr rmsd > 3.941  ) 
  6 6 0  peak  21622  volume  26.83060 ppm1  1.087  ppm2  3.981
assi (( attr rmsd < 1.127  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 7.137  and attr rmsd > 7.057  ) 
  6 6 0  peak  21632  volume  159.70570 ppm1  1.087  ppm2  7.097
assi (( attr rmsd < 1.127  and attr rmsd >  1.047  ) 
  and bondedto( attr rmsd <  21.296  and attr rmsd > 20.856  )) 
     ( attr rmsd < 7.384  and attr rmsd > 7.304  ) 
  6 6 0  peak  21642  volume  55.17420 ppm1  1.087  ppm2  7.344
assi (( attr rmsd < 4.519  and attr rmsd >  4.439  ) 
  and bondedto( attr rmsd <  71.543  and attr rmsd > 71.103  )) 
     ( attr rmsd < 7.384  and attr rmsd > 7.304  ) 
  6 6 0  peak  21652  volume  15.31030 ppm1  4.479  ppm2  7.344
assi (( attr rmsd < 1.309  and attr rmsd >  1.229  ) 
  and bondedto( attr rmsd <  21.804  and attr rmsd > 21.364  )) 
     ( attr rmsd < 1.602  and attr rmsd > 1.522  ) 
  6 6 0  peak  21662  volume  38.20160 ppm1  1.269  ppm2  1.562
assi (( attr rmsd < 0.97  and attr rmsd >  0.89  ) 
  and bondedto( attr rmsd <  23.326  and attr rmsd > 22.886  )) 
     ( attr rmsd < 1.186  and attr rmsd > 1.106  ) 
  6 6 0  peak  21772  volume  16.87950 ppm1  0.930  ppm2  1.146
assi (( attr rmsd < 3.186  and attr rmsd >  3.106  ) 
  and bondedto( attr rmsd <  43.374  and attr rmsd > 42.934  )) 
     ( attr rmsd < 4.489  and attr rmsd > 4.409  ) 
  6 6 0  peak  21782  volume  66.02450 ppm1  3.146  ppm2  4.449
assi (( attr rmsd < 3.186  and attr rmsd >  3.106  ) 
  and bondedto( attr rmsd <  43.374  and attr rmsd > 42.934  )) 
     ( attr rmsd < 4.329  and attr rmsd > 4.249  ) 
  6 6 0  peak  21792  volume  70.55780 ppm1  3.146  ppm2  4.289
assi (( attr rmsd < 0.45  and attr rmsd >  0.37  ) 
  and bondedto( attr rmsd <  25.103  and attr rmsd > 24.663  )) 
     ( attr rmsd < 7.289  and attr rmsd > 7.209  ) 
  6 6 0  peak  21862  volume  27.33010 ppm1  0.410  ppm2  7.249
assi (( attr rmsd < 0.338  and attr rmsd >  0.258  ) 
  and bondedto( attr rmsd <  25.61  and attr rmsd > 25.17  )) 
     ( attr rmsd < 7.289  and attr rmsd > 7.209  ) 
  6 6 0  peak  21872  volume  8.70710 ppm1  0.298  ppm2  7.249
!
!
!The last digit in peak ID is the spectrum number

ASSI {    03}
  (( segid "PTBd" and resid 60  and name HA  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 03 weight  0.11000E+01 volume 106.41640 ppm1 5.751 ppm2 6.439
ASSI {    13}
  (( segid "PTBd" and resid 61  and name HA  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 13 weight  0.11000E+01 volume 29.18540 ppm1 4.273 ppm2 6.439
ASSI {    23}
  (( segid "PTBd" and resid 60  and name HB1  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 23 weight  0.11000E+01 volume 195.14410 ppm1 3.620 ppm2 6.439
ASSI {    33}
  (( segid "FGFR" and resid 217  and name HD2  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 33 weight  0.11000E+01 volume 130.73920 ppm1 3.119 ppm2 6.439
ASSI {    43}
  (( segid "PTBd" and resid 60  and name HB2  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 43 weight  0.11000E+01 volume 142.18629 ppm1 2.944 ppm2 6.439
ASSI {    53}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 53 weight  0.11000E+01 volume 107.26920 ppm1 7.350 ppm2 6.439
ASSI {    63}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 63 weight  0.11000E+01 volume 73.63170 ppm1 7.351 ppm2 6.329
ASSI {    73}
  (( segid "FGFR" and resid 217  and name HD2  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 73 weight  0.11000E+01 volume 172.77870 ppm1 3.120 ppm2 6.328
ASSI {    83}
  (( segid "FGFR" and resid 217  and name HD1  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 83 weight  0.11000E+01 volume 94.10310 ppm1 3.195 ppm2 6.328
ASSI {    93}
  (( segid "PTBd" and resid 88  and name HG1  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 93 weight  0.11000E+01 volume 72.10920 ppm1 1.941 ppm2 6.328
ASSI {   103}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 103 weight  0.11000E+01 volume 107.37150 ppm1 1.797 ppm2 6.328
ASSI {   113}
  (( segid "FGFR" and resid 217  and name HB1  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 113 weight  0.11000E+01 volume 62.89560 ppm1 1.433 ppm2 6.328
ASSI {   123}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 123 weight  0.11000E+01 volume 156.97549 ppm1 1.282 ppm2 6.328
ASSI {   133}
  (( segid "FGFR" and resid 217  and name HG1  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 133 weight  0.11000E+01 volume 59.50230 ppm1 1.079 ppm2 6.328
ASSI {   143}
  (( segid "PTBd" and resid 32  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 143 weight  0.11000E+01 volume 118.32160 ppm1 2.216 ppm2 6.800
ASSI {   153}
  (( segid "PTBd" and resid 32  and name HG1  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 153 weight  0.11000E+01 volume 21.77660 ppm1 2.096 ppm2 6.800
ASSI {   163}
  (( segid "PTBd" and resid 32  and name HB2  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 163 weight  0.11000E+01 volume 126.10240 ppm1 1.824 ppm2 6.800
ASSI {   173}
  (( segid "PTBd" and resid 39  and name HB  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 173 weight  0.11000E+01 volume 40.26750 ppm1 1.620 ppm2 6.800
ASSI {   183}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 183 weight  0.11000E+01 volume 155.07930 ppm1 0.750 ppm2 6.801
ASSI {   193}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 193 weight  0.11000E+01 volume 14.24800 ppm1 0.239 ppm2 6.801
ASSI {   203}
  (( segid "PTBd" and resid 41  and name HB2  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 203 weight  0.11000E+01 volume 25.54290 ppm1 2.922 ppm2 6.800
ASSI {   213}
  (( segid "PTBd" and resid 41  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 213 weight  0.11000E+01 volume 15.07660 ppm1 3.025 ppm2 6.800
ASSI {   223}
  (( segid "PTBd" and resid 47  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 223 weight  0.11000E+01 volume 21.36720 ppm1 3.600 ppm2 6.800
ASSI {   233}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 233 weight  0.11000E+01 volume 105.35910 ppm1 5.072 ppm2 7.027
ASSI {   243}
  (( segid "PTBd" and resid 47  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 243 weight  0.11000E+01 volume 128.83180 ppm1 3.599 ppm2 7.027
ASSI {   253}
  (( segid "PTBd" and resid 41  and name HB1  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 253 weight  0.11000E+01 volume 180.98779 ppm1 3.025 ppm2 7.027
ASSI {   263}
  (( segid "PTBd" and resid 41  and name HB2  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 263 weight  0.11000E+01 volume 125.46110 ppm1 2.923 ppm2 7.027
ASSI {   273}
  (( segid "PTBd" and resid 30  and name HB  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 273 weight  0.11000E+01 volume 81.82590 ppm1 1.785 ppm2 7.028
ASSI {   283}
  (( segid "PTBd" and resid 30  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 283 weight  0.11000E+01 volume 119.42570 ppm1 0.751 ppm2 7.028
ASSI {   293}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 293 weight  0.11000E+01 volume 42.53040 ppm1 5.479 ppm2 6.766
ASSI {   303}
  (( segid "PTBd" and resid 67  and name HA  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 303 weight  0.11000E+01 volume 31.62430 ppm1 5.319 ppm2 6.766
ASSI {   313}
  (( segid "PTBd" and resid 58  and name HB1  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 313 weight  0.11000E+01 volume 84.54660 ppm1 3.495 ppm2 6.766
ASSI {   323}
  (( segid "PTBd" and resid 58  and name HB2  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 323 weight  0.11000E+01 volume 175.77290 ppm1 3.190 ppm2 6.766
ASSI {   333}
  (( segid "PTBd" and resid 65  and name HE1  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 333 weight  0.11000E+01 volume 99.50680 ppm1 7.108 ppm2 6.766
ASSI {   343}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 343 weight  0.11000E+01 volume 47.92250 ppm1 0.612 ppm2 6.766
ASSI {   353}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 353 weight  0.11000E+01 volume 112.03910 ppm1 0.739 ppm2 6.766
ASSI {   363}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 363 weight  0.11000E+01 volume 12.4641 ppm1 0.840 ppm2 6.766
ASSI {   373}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 373 weight  0.11000E+01 volume 13.91550 ppm1 0.216 ppm2 6.766
ASSI {   383}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 383 weight  0.11000E+01 volume 35.14650 ppm1 -0.053 ppm2 6.766
ASSI {   393}
  (( segid "PTBd" and resid 91  and name HZ  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 393 weight  0.11000E+01 volume 122.20520 ppm1 7.368 ppm2 6.766
ASSI {   413}
  (( segid "PTBd" and resid 91  and name HZ  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 413 weight  0.11000E+01 volume 135.84990 ppm1 7.369 ppm2 6.168
ASSI {   423}
  (( segid "PTBd" and resid 95  and name HG2  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 423 weight  0.11000E+01 volume 79.99150 ppm1 1.682 ppm2 6.168
ASSI {   433}
  (( segid "PTBd" and resid 98  and name HE#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 433 weight  0.11000E+01 volume 59.68710 ppm1 1.851 ppm2 6.168
ASSI {   443}
  (( segid "PTBd" and resid 95  and name HG1  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 443 weight  0.11000E+01 volume 24.88380 ppm1 2.009 ppm2 6.168
ASSI {   453}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 453 weight  0.11000E+01 volume 2.82418 ppm1 0.991 ppm2 6.168
ASSI {   463}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 463 weight  0.11000E+01 volume 42.88090 ppm1 0.901 ppm2 6.168
ASSI {   473}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 473 weight  0.11000E+01 volume 15.1379 ppm1 0.841 ppm2 6.168
ASSI {   483}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 483 weight  0.11000E+01 volume 122.54990 ppm1 0.740 ppm2 6.168
ASSI {   493}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 493 weight  0.11000E+01 volume 17.45230 ppm1 0.210 ppm2 6.168
ASSI {   503}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 503 weight  0.11000E+01 volume 20.56330 ppm1 -0.053 ppm2 6.168
ASSI {   513}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 513 weight  0.11000E+01 volume 110.86320 ppm1 4.300 ppm2 6.643
ASSI {   523}
  (( segid "PTBd" and resid 36  and name HA  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 523 weight  0.11000E+01 volume 223.27879 ppm1 4.347 ppm2 6.643
ASSI {   533}
  (( segid "PTBd" and resid 52  and name HB1  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 533 weight  0.11000E+01 volume 135.54269 ppm1 3.012 ppm2 6.643
ASSI {   543}
  (( segid "PTBd" and resid 52  and name HB2  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 543 weight  0.11000E+01 volume 100.08800 ppm1 2.623 ppm2 6.643
ASSI {   553}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 553 weight  0.11000E+01 volume 23.97960 ppm1 0.880 ppm2 6.643
ASSI {   563}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 563 weight  0.11000E+01 volume 34.36150 ppm1 0.617 ppm2 6.643
ASSI {   573}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 573 weight  0.11000E+01 volume 29.35160 ppm1 0.207 ppm2 6.643
ASSI {   583}
  (( segid "PTBd" and resid 35  and name HA  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 583 weight  0.11000E+01 volume 19.58590 ppm1 4.564 ppm2 6.394
ASSI {   593}
  (( segid "PTBd" and resid 36  and name HA  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 593 weight  0.11000E+01 volume 106.42580 ppm1 4.346 ppm2 6.394
ASSI {   603}
  (( segid "PTBd" and resid 52  and name HA  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 603 weight  0.11000E+01 volume 21.8468 ppm1 4.300 ppm2 6.394
ASSI {   613}
  (( segid "PTBd" and resid 38  and name HB1  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 613 weight  0.11000E+01 volume 21.22630 ppm1 1.702 ppm2 6.394
ASSI {   623}
  (( segid "PTBd" and resid 38  and name HB2  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 623 weight  0.11000E+01 volume 34.94250 ppm1 1.590 ppm2 6.394
ASSI {   633}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 633 weight  0.11000E+01 volume 30.41190 ppm1 1.497 ppm2 6.394
ASSI {   643}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 643 weight  0.11000E+01 volume 26.09900 ppm1 1.083 ppm2 6.393
ASSI {   663}
  (( segid "PTBd" and resid 103  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 663 weight  0.11000E+01 volume 24.89810 ppm1 0.881 ppm2 6.394
ASSI {   673}
  (( segid "PTBd" and resid 97  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 673 weight  0.11000E+01 volume 30.12940 ppm1 0.699 ppm2 6.393
ASSI {   683}
  (( segid "PTBd" and resid 97  and name HG2#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 683 weight  0.11000E+01 volume 63.33720 ppm1 0.589 ppm2 6.393
ASSI {   693}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 693 weight  0.11000E+01 volume 44.99230 ppm1 0.400 ppm2 6.393
ASSI {   703}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 703 weight  0.11000E+01 volume 23.64740 ppm1 0.285 ppm2 6.393
ASSI {   713}
  (( segid "PTBd" and resid 94  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 713 weight  0.11000E+01 volume 118.85760 ppm1 0.207 ppm2 6.393
ASSI {   723}
  (( segid "PTBd" and resid 87  and name HB#  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 723 weight  0.11000E+01 volume 193.84950 ppm1 1.797 ppm2 6.439
ASSI {   733}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 733 weight  0.11000E+01 volume 41.00040 ppm1 1.282 ppm2 6.439
ASSI {   743}
  (( segid "PTBd" and resid 60  and name HB2  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 743 weight  0.11000E+01 volume 37.27650 ppm1 2.945 ppm2 6.328
ASSI {   753}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 753 weight  0.11000E+01 volume 22.82850 ppm1 2.622 ppm2 6.328
ASSI {   763}
  (( segid "PTBd" and resid 91  and name HB1  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 763 weight  0.11000E+01 volume 91.23450 ppm1 3.113 ppm2 7.344
ASSI {   773}
  (( segid "PTBd" and resid 91  and name HB2  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 773 weight  0.11000E+01 volume 54.46650 ppm1 2.964 ppm2 7.344
ASSI {   783}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 783 weight  0.11000E+01 volume 131.56390 ppm1 -0.264 ppm2 6.912
ASSI {   793}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 793 weight  0.11000E+01 volume 124.71020 ppm1 0.664 ppm2 6.912
ASSI {   803}
  (( segid "PTBd" and resid 86  and name HB2  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 803 weight  0.11000E+01 volume 28.09250 ppm1 1.647 ppm2 6.913
ASSI {   813}
  (( segid "PTBd" and resid 14  and name HB1  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 813 weight  0.11000E+01 volume 287.53571 ppm1 2.610 ppm2 6.912
ASSI {   823}
  (( segid "PTBd" and resid 14  and name HA  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 823 weight  0.11000E+01 volume 41.57650 ppm1 4.475 ppm2 6.912
ASSI {   833}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 833 weight  0.11000E+01 volume 116.93680 ppm1 0.664 ppm2 7.026
ASSI {   843}
  (( segid "PTBd" and resid 82  and name HB2  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 843 weight  0.11000E+01 volume 50.15730 ppm1 2.861 ppm2 7.094
ASSI {   853}
  (( segid "PTBd" and resid 82  and name HB1  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 853 weight  0.11000E+01 volume 32.54280 ppm1 3.034 ppm2 7.094
ASSI {   863}
  (( segid "PTBd" and resid 18  and name HA  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 863 weight  0.11000E+01 volume 35.44790 ppm1 4.523 ppm2 7.094
ASSI {   873}
  (( segid "PTBd" and resid 82  and name HA  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 873 weight  0.11000E+01 volume 38.10570 ppm1 5.399 ppm2 7.094
ASSI {   883}
  (( segid "PTBd" and resid 67  and name HB1  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 883 weight  0.11000E+01 volume 89.83990 ppm1 3.243 ppm2 6.623
ASSI {   893}
  (( segid "PTBd" and resid 67  and name HB2  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 893 weight  0.11000E+01 volume 164.37801 ppm1 2.905 ppm2 6.623
ASSI {   903}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 903 weight  0.11000E+01 volume 34.35720 ppm1 0.746 ppm2 6.623
ASSI {   913}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 913 weight  0.11000E+01 volume 113.77750 ppm1 0.611 ppm2 6.623
ASSI {   923}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 923 weight  0.11000E+01 volume 23.11450 ppm1 0.287 ppm2 6.623
ASSI {   943}
  (( segid "PTBd" and resid 67  and name HA  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 943 weight  0.11000E+01 volume 76.27790 ppm1 5.309 ppm2 6.623
ASSI {   953}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 953 weight  0.11000E+01 volume 17.63970 ppm1 7.253 ppm2 5.833
ASSI {   973}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 973 weight  0.11000E+01 volume 99.71430 ppm1 7.253 ppm2 6.623
ASSI {   993}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 993 weight  0.11000E+01 volume 89.50570 ppm1 7.105 ppm2 6.623
ASSI {  1003}
  (( segid "FGFR" and resid 217  and name HG1  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 1003 weight  0.11000E+01 volume 22.48290 ppm1 1.079 ppm2 6.439
ASSI {  1013}
  (( segid "PTBd" and resid 88  and name HA  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 1013 weight  0.11000E+01 volume 31.36440 ppm1 2.626 ppm2 6.439
ASSI {  1023}
  (( segid "PTBd" and resid 62  and name HA  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 1023 weight  0.11000E+01 volume 12.99320 ppm1 4.225 ppm2 6.439
ASSI {  1053}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 1053 weight  0.11000E+01 volume 16.76370 ppm1 1.084 ppm2 6.643
ASSI {  1063}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1063 weight  0.11000E+01 volume 26.47000 ppm1 0.618 ppm2 7.591
ASSI {  1073}
  (( segid "PTBd" and resid 50  and name HB2  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1073 weight  0.11000E+01 volume 11.01650 ppm1 2.582 ppm2 7.591
ASSI {  1083}
  (( segid "PTBd" and resid 50  and name HB1  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1083 weight  0.11000E+01 volume 10.43660 ppm1 3.095 ppm2 7.591
ASSI {  1093}
  (( segid "PTBd" and resid 69  and name HB2  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1093 weight  0.11000E+01 volume 204.70860 ppm1 4.007 ppm2 7.591
ASSI {  1103}
  (( segid "PTBd" and resid 69  and name HA  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1103 weight  0.11000E+01 volume 19.52900 ppm1 5.279 ppm2 7.592
ASSI {  1113}
  (( segid "PTBd" and resid 69  and name HB1  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1113 weight  0.11000E+01 volume 33.58120 ppm1 4.908 ppm2 7.592
ASSI {  1123}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 1123 weight  0.11000E+01 volume 5.73560 ppm1 5.839 ppm2 7.591
ASSI {  1133}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 50  and name HZ2  ))
     6 6 0 peak 1133 weight  0.11000E+01 volume 294.51501 ppm1 1.017 ppm2 5.986
ASSI {  1143}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 50  and name HZ2  ))
     6 6 0 peak 1143 weight  0.11000E+01 volume 79.87490 ppm1 1.069 ppm2 5.986
ASSI {  1153}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 50  and name HZ2  ))
     6 6 0 peak 1153 weight  0.11000E+01 volume 45.18880 ppm1 -0.080 ppm2 5.985
ASSI {  1163}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "PTBd" and resid 50  and name HZ2  ))
     6 6 0 peak 1163 weight  0.11000E+01 volume 17.64810 ppm1 2.058 ppm2 5.986
ASSI {  1183}
  (( segid "PTBd" and resid 48  and name HG2#  ))
  (( segid "PTBd" and resid 50  and name HH2  ))
     6 6 0 peak 1183 weight  0.11000E+01 volume 23.02600 ppm1 -0.079 ppm2 6.617
ASSI {  1193}
  (( segid "PTBd" and resid 48  and name HG1#  ))
  (( segid "PTBd" and resid 50  and name HH2  ))
     6 6 0 peak 1193 weight  0.11000E+01 volume 11.57290 ppm1 0.537 ppm2 6.617
ASSI {  1203}
  (( segid "PTBd" and resid 49  and name HA  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1203 weight  0.11000E+01 volume 6.21520 ppm1 5.284 ppm2 7.433
ASSI {  1213}
  (( segid "PTBd" and resid 38  and name HB1  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1213 weight  0.11000E+01 volume 15.30540 ppm1 1.708 ppm2 7.433
ASSI {  1223}
  (( segid "PTBd" and resid 38  and name HB2  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1223 weight  0.11000E+01 volume 21.38930 ppm1 1.567 ppm2 7.433
ASSI {  1233}
  (( segid "PTBd" and resid 38  and name HG  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1233 weight  0.11000E+01 volume 6.93060 ppm1 1.499 ppm2 7.433
ASSI {  1243}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1243 weight  0.11000E+01 volume 8.84250 ppm1 0.401 ppm2 7.433
ASSI {  1253}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 50  and name HE3  ))
     6 6 0 peak 1253 weight  0.11000E+01 volume 15.25300 ppm1 1.018 ppm2 6.686
ASSI {  1263}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 50  and name HE3  ))
     6 6 0 peak 1263 weight  0.11000E+01 volume 7.20820 ppm1 0.695 ppm2 6.687
ASSI {  1273}
  (( segid "PTBd" and resid 90  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 1273 weight  0.11000E+01 volume 46.56900 ppm1 -0.263 ppm2 7.026
ASSI {  1283}
  (( segid "PTBd" and resid 33  and name HG  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 1283 weight  0.11000E+01 volume 29.69420 ppm1 1.701 ppm2 6.913
ASSI {  1313}
  (( segid "PTBd" and resid 86  and name HD2  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 1313 weight  0.11000E+01 volume 11.91770 ppm1 3.216 ppm2 6.912
ASSI {  1323}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 1323 weight  0.11000E+01 volume 107.68400 ppm1 2.989 ppm2 7.026
ASSI {  1333}
  (( segid "PTBd" and resid 86  and name HB1  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 1333 weight  0.11000E+01 volume 32.03880 ppm1 2.758 ppm2 6.913
ASSI {  1343}
  (( segid "PTBd" and resid 13  and name HA  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 1343 weight  0.11000E+01 volume 7.65570 ppm1 5.157 ppm2 6.912
ASSI {  1363}
  (( segid "PTBd" and resid 33  and name HG  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 1363 weight  0.11000E+01 volume 40.34000 ppm1 1.700 ppm2 7.026
ASSI {  1373}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1373 weight  0.11000E+01 volume 25.14410 ppm1 1.274 ppm2 5.834
ASSI {  1393}
  (( segid "PTBd" and resid 55  and name HD2#  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1393 weight  0.11000E+01 volume 12.93250 ppm1 0.610 ppm2 5.834
ASSI {  1403}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1403 weight  0.11000E+01 volume 6.53310 ppm1 0.398 ppm2 5.834
ASSI {  1413}
  (( segid "PTBd" and resid 38  and name HD2#  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1413 weight  0.11000E+01 volume 6.34400 ppm1 0.288 ppm2 5.834
ASSI {  1433}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 1433 weight  0.11000E+01 volume 16.90490 ppm1 1.275 ppm2 6.623
ASSI {  1453}
  (( segid "PTBd" and resid 38  and name HD1#  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 1453 weight  0.11000E+01 volume 12.82870 ppm1 0.399 ppm2 6.623
ASSI {  1463}
  (( segid "PTBd" and resid 66  and name HA  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 1463 weight  0.11000E+01 volume 11.90580 ppm1 5.404 ppm2 6.623
ASSI {  1473}
  (( segid "PTBd" and resid 58  and name HA  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 1473 weight  0.11000E+01 volume 14.29960 ppm1 5.486 ppm2 6.623
ASSI {  1483}
  (( segid "PTBd" and resid 68  and name HA  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 1483 weight  0.11000E+01 volume 17.78980 ppm1 5.681 ppm2 6.623
ASSI {  1493}
  (( segid "PTBd" and resid 82  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1493 weight  0.11000E+01 volume 18.02970 ppm1 7.105 ppm2 5.833
ASSI {  1503}
  (( segid "PTBd" and resid 67  and name HZ  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1503 weight  0.11000E+01 volume 6.60780 ppm1 7.030 ppm2 5.834
ASSI {  1513}
  (( segid "PTBd" and resid 80  and name HZ  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 1513 weight  0.11000E+01 volume 9.56520 ppm1 7.305 ppm2 5.834
ASSI {  1533}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 1533 weight  0.11000E+01 volume 23.15980 ppm1 3.812 ppm2 7.343
ASSI {  1543}
  (( segid "PTBd" and resid 60  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 1543 weight  0.11000E+01 volume 15.83870 ppm1 6.447 ppm2 7.343
ASSI {  1553}
  (( segid "PTBd" and resid 60  and name HE1  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 1553 weight  0.11000E+01 volume 24.33900 ppm1 6.336 ppm2 7.343
ASSI {  1563}
  (( segid "PTBd" and resid 58  and name HE1  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 1563 weight  0.11000E+01 volume 57.72530 ppm1 6.169 ppm2 7.368
ASSI {  1573}
  (( segid "FGFR" and resid 218  and name HA  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 1573 weight  0.11000E+01 volume 32.66340 ppm1 5.157 ppm2 7.368
ASSI {  1583}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 1583 weight  0.11000E+01 volume 36.48730 ppm1 5.840 ppm2 7.094
ASSI {  1593}
  (( segid "PTBd" and resid 16  and name HB  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 1593 weight  0.11000E+01 volume 85.65090 ppm1 2.267 ppm2 7.094
ASSI {  1603}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 82  and name HE1  ))
     6 6 0 peak 1603 weight  0.11000E+01 volume 14.81510 ppm1 5.840 ppm2 7.254
ASSI {  1613}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 82  and name HE1  ))
     6 6 0 peak 1613 weight  0.11000E+01 volume 19.41120 ppm1 6.629 ppm2 7.254
ASSI {  1623}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 1623 weight  0.11000E+01 volume 55.95580 ppm1 6.629 ppm2 7.094
ASSI {  1643}
  (( segid "PTBd" and resid 16  and name HG1#  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 1643 weight  0.11000E+01 volume 26.71040 ppm1 0.620 ppm2 7.094
ASSI {  1653}
  (( segid "PTBd" and resid 86  and name HA  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 1653 weight  0.11000E+01 volume 8.11610 ppm1 4.977 ppm2 6.913
ASSI {  1663}
  (( segid "PTBd" and resid 36  and name HB  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 1663 weight  0.11000E+01 volume 39.65540 ppm1 3.975 ppm2 6.643
ASSI {  1673}
  (( segid "PTBd" and resid 91  and name HA  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 1673 weight  0.11000E+01 volume 13.17950 ppm1 3.811 ppm2 6.765
ASSI {  1693}
  (( segid "PTBd" and resid 67  and name HB2  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 1693 weight  0.11000E+01 volume 17.62220 ppm1 2.905 ppm2 6.766
ASSI {  1703}
  (( segid "PTBd" and resid 67  and name HE1  ))
  (( segid "PTBd" and resid 67  and name HZ  ))
     6 6 0 peak 1703 weight  0.11000E+01 volume 16.09190 ppm1 5.839 ppm2 7.049
ASSI {  1713}
  (( segid "PTBd" and resid 67  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HZ  ))
     6 6 0 peak 1713 weight  0.11000E+01 volume 72.93180 ppm1 6.630 ppm2 7.049
ASSI {  1723}
  (( segid "PTBd" and resid 40  and name HD2#  ))
  (( segid "PTBd" and resid 67  and name HZ  ))
     6 6 0 peak 1723 weight  0.11000E+01 volume 48.68370 ppm1 0.689 ppm2 7.049
ASSI {  1733}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 67  and name HZ  ))
     6 6 0 peak 1733 weight  0.11000E+01 volume 291.57141 ppm1 1.017 ppm2 7.049
ASSI {  1753}
  (( segid "PTBd" and resid 82  and name HE1  ))
  (( segid "PTBd" and resid 67  and name HZ  ))
     6 6 0 peak 1753 weight  0.11000E+01 volume 455.58719 ppm1 7.254 ppm2 7.049
ASSI {  1763}
  (( segid "PTBd" and resid 51  and name HA  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1763 weight  0.11000E+01 volume 24.79340 ppm1 4.471 ppm2 7.072
ASSI {  1773}
  (( segid "PTBd" and resid 36  and name HB  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1773 weight  0.11000E+01 volume 24.18570 ppm1 3.979 ppm2 7.072
ASSI {  1783}
  (( segid "PTBd" and resid 51  and name HB1  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1783 weight  0.11000E+01 volume 9.16800 ppm1 3.255 ppm2 7.072
ASSI {  1793}
  (( segid "PTBd" and resid 51  and name HB2  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1793 weight  0.11000E+01 volume 29.56740 ppm1 3.091 ppm2 7.072
ASSI {  1803}
  (( segid "PTBd" and resid 37  and name HG2  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1803 weight  0.11000E+01 volume 13.08840 ppm1 1.669 ppm2 7.072
ASSI {  1813}
  (( segid "PTBd" and resid 36  and name HG2#  ))
  (( segid "PTBd" and resid 51  and name HD2  ))
     6 6 0 peak 1813 weight  0.11000E+01 volume 15.42100 ppm1 1.079 ppm2 7.072
ASSI {  1823}
  (( segid "PTBd" and resid 53  and name HD1#  ))
  (( segid "PTBd" and resid 51  and name HD1  ))
     6 6 0 peak 1823 weight  0.11000E+01 volume 7.13040 ppm1 0.912 ppm2 7.072
ASSI {  1843}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 50  and name HH2  ))
     6 6 0 peak 1843 weight  0.11000E+01 volume 107.32490 ppm1 1.017 ppm2 6.617
ASSI {  1853}
  (( segid "PTBd" and resid 88  and name HG2  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 1853 weight  0.11000E+01 volume 102.77830 ppm1 1.780 ppm2 6.328
ASSI {  1863}
  (( segid "PTBd" and resid 32  and name HA  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 1863 weight  0.11000E+01 volume 38.14060 ppm1 5.423 ppm2 6.800
ASSI {  1873}
  (( segid "PTBd" and resid 32  and name HG2  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 1873 weight  0.11000E+01 volume 26.15950 ppm1 1.965 ppm2 6.800
ASSI {  1883}
  (( segid "PTBd" and resid 47  and name HB2  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 1883 weight  0.11000E+01 volume 18.18970 ppm1 3.346 ppm2 7.027
ASSI {  1893}
  (( segid "PTBd" and resid 47  and name HA  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 1893 weight  0.11000E+01 volume 74.11550 ppm1 5.155 ppm2 7.027
ASSI {  1903}
  (( segid "PTBd" and resid 75  and name HG2#  ))
  (( segid "PTBd" and resid 50  and name HH2  ))
     6 6 0 peak 1903 weight  0.11000E+01 volume 26.98020 ppm1 1.072 ppm2 6.617
ASSI {  1913}
  (( segid "PTBd" and resid 105  and name HG1#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 1913 weight  0.11000E+01 volume 42.36730 ppm1 0.901 ppm2 6.766
ASSI {  1923}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 58  and name HE1  ))
     6 6 0 peak 1923 weight  0.11000E+01 volume 35.74510 ppm1 0.246 ppm2 6.168
ASSI {  1933}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 1933 weight  0.11000E+01 volume 79.01890 ppm1 0.247 ppm2 6.766
ASSI {  1943}
  (( segid "FGFR" and resid 217  and name HA  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 1943 weight  0.11000E+01 volume 12.81690 ppm1 4.487 ppm2 6.328
ASSI {  1953}
  (( segid "FGFR" and resid 217  and name HB1  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 1953 weight  0.11000E+01 volume 42.02820 ppm1 1.433 ppm2 6.439
ASSI {  1963}
  (( segid "PTBd" and resid 94  and name HD2#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 1963 weight  0.11000E+01 volume 47.60530 ppm1 -0.053 ppm2 6.393
ASSI {  1973}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 1973 weight  0.11000E+01 volume 98.45350 ppm1 0.651 ppm2 6.393
ASSI {  1983}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 1983 weight  0.11000E+01 volume 99.38230 ppm1 0.741 ppm2 6.643
ASSI {  1993}
  (( segid "PTBd" and resid 55  and name HD1#  ))
  (( segid "PTBd" and resid 52  and name HE1  ))
     6 6 0 peak 1993 weight  0.11000E+01 volume 33.00140 ppm1 0.742 ppm2 6.393
ASSI {  2003}
  (( segid "PTBd" and resid 39  and name HG2#  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 2003 weight  0.11000E+01 volume 19.68640 ppm1 0.239 ppm2 7.028
ASSI {  2013}
  (( segid "PTBd" and resid 33  and name HD1#  ))
  (( segid "PTBd" and resid 14  and name HZ  ))
     6 6 0 peak 2013 weight  0.11000E+01 volume 29.32860 ppm1 0.669 ppm2 7.072
ASSI {  2023}
  (( segid "PTBd" and resid 31  and name HE#  ))
  (( segid "PTBd" and resid 50  and name HE3  ))
     6 6 0 peak 2023 weight  0.11000E+01 volume 47.59140 ppm1 1.266 ppm2 6.685
ASSI {  2033}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 2033 weight  0.11000E+01 volume 78.25250 ppm1 0.739 ppm2 7.369
ASSI {  2043}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 2043 weight  0.11000E+01 volume 26.65990 ppm1 0.245 ppm2 7.369
ASSI {  2053}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "PTBd" and resid 91  and name HE1  ))
     6 6 0 peak 2053 weight  0.11000E+01 volume 20.05770 ppm1 1.282 ppm2 7.114
ASSI {  2063}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "PTBd" and resid 91  and name HE1  ))
     6 6 0 peak 2063 weight  0.11000E+01 volume 56.37360 ppm1 0.739 ppm2 7.114
ASSI {  2073}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "PTBd" and resid 91  and name HE1  ))
     6 6 0 peak 2073 weight  0.11000E+01 volume 82.27910 ppm1 0.244 ppm2 7.114
ASSI {  2083}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 2083 weight  0.11000E+01 volume 77.05090 ppm1 6.772 ppm2 7.368
ASSI {  2093}
  (( segid "PTBd" and resid 58  and name HD1  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 2093 weight  0.11000E+01 volume 33.68840 ppm1 6.771 ppm2 7.343
ASSI {  2103}
  (( segid "PTBd" and resid 91  and name HD1  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 2103 weight  0.11000E+01 volume 146.74319 ppm1 7.351 ppm2 6.766
ASSI {  2123}
  (( segid "PTBd" and resid 93  and name HE#  ))
  (( segid "PTBd" and resid 14  and name HZ  ))
     6 6 0 peak 2123 weight  0.11000E+01 volume 26.98000 ppm1 2.084 ppm2 7.072
ASSI {  2133}
  (( segid "PTBd" and resid 90  and name HA  ))
  (( segid "PTBd" and resid 14  and name HZ  ))
     6 6 0 peak 2133 weight  0.11000E+01 volume 34.2208 ppm1 2.989 ppm2 7.072
ASSI {  2143}
  (( segid "PTBd" and resid 89  and name HB1  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 2143 weight  0.11000E+01 volume 80.02190 ppm1 2.249 ppm2 7.026
ASSI {  2153}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 80  and name HZ  ))
     6 6 0 peak 2153 weight  0.11000E+01 volume 42.51000 ppm1 1.016 ppm2 7.305
ASSI {  2163}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "PTBd" and resid 80  and name HE1  ))
     6 6 0 peak 2163 weight  0.11000E+01 volume 93.00130 ppm1 1.017 ppm2 7.253
ASSI {  2173}
  (( segid "PTBd" and resid 62  and name HA  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 2173 weight  0.11000E+01 volume 31.79400 ppm1 4.226 ppm2 6.328
ASSI {  2193}
  (( segid "PTBd" and resid 41  and name HA  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 2193 weight  0.11000E+01 volume 21.66310 ppm1 5.072 ppm2 6.800
ASSI {  2213}
  (( segid "PTBd" and resid 50  and name HD1  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 2213 weight  0.11000E+01 volume 3.94080 ppm1 7.583 ppm2 5.834
ASSI {  2223}
  (( segid "PTBd" and resid 10  and name HA  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2223 weight  0.11000E+01 volume 22.97850 ppm1 4.435 ppm2 7.025
ASSI {  2233}
  (( segid "PTBd" and resid 10  and name HB2  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2233 weight  0.11000E+01 volume 19.85790 ppm1 2.957 ppm2 7.026
ASSI {  2243}
  (( segid "PTBd" and resid 10  and name HB1  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2243 weight  0.11000E+01 volume 13.60990 ppm1 3.150 ppm2 7.026
ASSI {  2253}
  (( segid "PTBd" and resid 7  and name HD1  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2253 weight  0.11000E+01 volume 4.64770 ppm1 3.831 ppm2 7.026
ASSI {  2263}
  (( segid "PTBd" and resid 7  and name HD2  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2263 weight  0.11000E+01 volume 45.13250 ppm1 3.620 ppm2 7.026
ASSI {  2273}
  (( segid "PTBd" and resid 13  and name HE1  ))
  (( segid "PTBd" and resid 41  and name HE1  ))
     6 6 0 peak 2273 weight  0.11000E+01 volume 30.32860 ppm1 2.684 ppm2 6.800
ASSI {  2283}
  (( segid "PTBd" and resid 7  and name HG1  ))
  (( segid "PTBd" and resid 10  and name HD2  ))
     6 6 0 peak 2283 weight  0.11000E+01 volume 26.64880 ppm1 1.956 ppm2 7.026
! F3 (1H): 0.04 ppm
! F2 (X): 0.22 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 6.208  and attr rmsd >  6.128  ) 
  and bondedto( attr rmsd <  118.847  and attr rmsd > 118.407  )) 
     ( attr rmsd < 7.15  and attr rmsd > 7.07  ) 
  6 6 0  peak  403  volume  25.70080 ppm1  6.168  ppm2  7.110
assi (( attr rmsd < 6.434  and attr rmsd >  6.354  ) 
  and bondedto( attr rmsd <  119.355  and attr rmsd > 118.915  )) 
     ( attr rmsd < 0.968  and attr rmsd > 0.888  ) 
  6 6 0  peak  653  volume  21.45490 ppm1  6.394  ppm2  0.928
assi (( attr rmsd < 6.663  and attr rmsd >  6.583  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 4.341  and attr rmsd > 4.261  ) 
  6 6 0  peak  933  volume  130.20850 ppm1  6.623  ppm2  4.301
assi (( attr rmsd < 5.874  and attr rmsd >  5.794  ) 
  and bondedto( attr rmsd <  130.266  and attr rmsd > 129.826  )) 
     ( attr rmsd < 4.344  and attr rmsd > 4.264  ) 
  6 6 0  peak  963  volume  187.94420 ppm1  5.834  ppm2  4.304
assi (( attr rmsd < 6.663  and attr rmsd >  6.583  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 6.787  and attr rmsd > 6.707  ) 
  6 6 0  peak  983  volume  49.51710 ppm1  6.623  ppm2  6.747
assi (( attr rmsd < 6.479  and attr rmsd >  6.399  ) 
  and bondedto( attr rmsd <  133.311  and attr rmsd > 132.871  )) 
     ( attr rmsd < 1.762  and attr rmsd > 1.682  ) 
  6 6 0  peak  1033  volume  29.01670 ppm1  6.439  ppm2  1.722
assi (( attr rmsd < 7.068  and attr rmsd >  6.988  ) 
  and bondedto( attr rmsd <  133.819  and attr rmsd > 133.379  )) 
     ( attr rmsd < 1.898  and attr rmsd > 1.818  ) 
  6 6 0  peak  1043  volume  29.05250 ppm1  7.028  ppm2  1.858
assi (( attr rmsd < 6.026  and attr rmsd >  5.946  ) 
  and bondedto( attr rmsd <  114.534  and attr rmsd > 114.094  )) 
     ( attr rmsd < 7.113  and attr rmsd > 7.033  ) 
  6 6 0  peak  1173  volume  39.34430 ppm1  5.986  ppm2  7.073
assi (( attr rmsd < 6.952  and attr rmsd >  6.872  ) 
  and bondedto( attr rmsd <  132.296  and attr rmsd > 131.856  )) 
     ( attr rmsd < 2.266  and attr rmsd > 2.186  ) 
  6 6 0  peak  1293  volume  32.73640 ppm1  6.912  ppm2  2.226
assi (( attr rmsd < 6.952  and attr rmsd >  6.872  ) 
  and bondedto( attr rmsd <  132.296  and attr rmsd > 131.856  )) 
     ( attr rmsd < 1.95  and attr rmsd > 1.87  ) 
  6 6 0  peak  1303  volume  14.06900 ppm1  6.912  ppm2  1.910
assi (( attr rmsd < 7.066  and attr rmsd >  6.986  ) 
  and bondedto( attr rmsd <  131.027  and attr rmsd > 130.587  )) 
     ( attr rmsd < 2.76  and attr rmsd > 2.68  ) 
  6 6 0  peak  1353  volume  48.07970 ppm1  7.026  ppm2  2.720
assi (( attr rmsd < 5.874  and attr rmsd >  5.794  ) 
  and bondedto( attr rmsd <  130.266  and attr rmsd > 129.826  )) 
     ( attr rmsd < 1.268  and attr rmsd > 1.188  ) 
  6 6 0  peak  1383  volume  15.30080 ppm1  5.834  ppm2  1.228
assi (( attr rmsd < 6.663  and attr rmsd >  6.583  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 1.265  and attr rmsd > 1.185  ) 
  6 6 0  peak  1423  volume  15.04980 ppm1  6.623  ppm2  1.225
assi (( attr rmsd < 6.663  and attr rmsd >  6.583  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 1.057  and attr rmsd > 0.977  ) 
  6 6 0  peak  1443  volume  13.95250 ppm1  6.623  ppm2  1.017
assi (( attr rmsd < 6.663  and attr rmsd >  6.583  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 7.392  and attr rmsd > 7.312  ) 
  6 6 0  peak  1523  volume  17.44540 ppm1  6.623  ppm2  7.352
assi (( attr rmsd < 7.134  and attr rmsd >  7.054  ) 
  and bondedto( attr rmsd <  131.789  and attr rmsd > 131.349  )) 
     ( attr rmsd < 0.7  and attr rmsd > 0.62  ) 
  6 6 0  peak  1633  volume  24.11580 ppm1  7.094  ppm2  0.660
assi (( attr rmsd < 6.806  and attr rmsd >  6.726  ) 
  and bondedto( attr rmsd <  133.311  and attr rmsd > 132.871  )) 
     ( attr rmsd < 2.991  and attr rmsd > 2.911  ) 
  6 6 0  peak  1683  volume  20.03030 ppm1  6.766  ppm2  2.951
assi (( attr rmsd < 7.089  and attr rmsd >  7.009  ) 
  and bondedto( attr rmsd <  129.251  and attr rmsd > 128.811  )) 
     ( attr rmsd < 1.314  and attr rmsd > 1.234  ) 
  6 6 0  peak  1743  volume  24.64000 ppm1  7.049  ppm2  1.274
assi (( attr rmsd < 7.112  and attr rmsd >  7.032  ) 
  and bondedto( attr rmsd <  118.34  and attr rmsd > 117.9  )) 
     ( attr rmsd < 3.272  and attr rmsd > 3.192  ) 
  6 6 0  peak  1833  volume  25.93890 ppm1  7.072  ppm2  3.232
assi (( attr rmsd < 7.111  and attr rmsd >  7.031  ) 
  and bondedto( attr rmsd <  129.759  and attr rmsd > 129.319  )) 
     ( attr rmsd < 0.944  and attr rmsd > 0.864  ) 
  6 6 0  peak  2113  volume  13.58560 ppm1  7.071  ppm2  0.904
assi (( attr rmsd < 6.368  and attr rmsd >  6.288  ) 
  and bondedto( attr rmsd <  118.086  and attr rmsd > 117.646  )) 
     ( attr rmsd < 7.149  and attr rmsd > 7.069  ) 
  6 6 0  peak  2183  volume  32.78370 ppm1  6.328  ppm2  7.109
assi (( attr rmsd < 6.84  and attr rmsd >  6.76  ) 
  and bondedto( attr rmsd <  118.086  and attr rmsd > 117.646  )) 
     ( attr rmsd < 5.175  and attr rmsd > 5.095  ) 
  6 6 0  peak  2203  volume  12.10970 ppm1  6.800  ppm2  5.135
assi (( attr rmsd < 6.84  and attr rmsd >  6.76  ) 
  and bondedto( attr rmsd <  118.086  and attr rmsd > 117.646  )) 
     ( attr rmsd < 0.232  and attr rmsd > 0.152  ) 
  6 6 0  peak  2293  volume  20.70240 ppm1  6.800  ppm2  0.192
!
!
!The last digit in peak ID is the spectrum number

ASSI {    01}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 58  and name HN  ))
     6 6 0 peak 01 weight  0.11000E+01 volume 30.53480 ppm1 8.955 ppm2 8.427
ASSI {    11}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 11 weight  0.11000E+01 volume 81.55960 ppm1 8.955 ppm2 6.767
ASSI {    21}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 21 weight  0.11000E+01 volume 145.12440 ppm1 8.955 ppm2 5.478
ASSI {    31}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 31 weight  0.11000E+01 volume 82.73140 ppm1 8.955 ppm2 5.322
ASSI {    41}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 58  and name HB1  ))
     6 6 0 peak 41 weight  0.11000E+01 volume 73.71270 ppm1 8.955 ppm2 3.496
ASSI {    51}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 58  and name HB2  ))
     6 6 0 peak 51 weight  0.11000E+01 volume 151.85820 ppm1 8.955 ppm2 3.202
ASSI {    61}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 61 weight  0.11000E+01 volume 43.94800 ppm1 8.955 ppm2 2.932
ASSI {    71}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 66  and name HN  ))
     6 6 0 peak 71 weight  0.11000E+01 volume 56.74100 ppm1 8.955 ppm2 8.090
ASSI {    91}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 91 weight  0.11000E+01 volume 45.28350 ppm1 8.955 ppm2 0.616
ASSI {   101}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 101 weight  0.11000E+01 volume 32.11750 ppm1 9.720 ppm2 2.640
ASSI {   111}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 111 weight  0.11000E+01 volume 99.15280 ppm1 9.720 ppm2 1.909
ASSI {   121}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 30  and name HD1#  ))
     6 6 0 peak 121 weight  0.11000E+01 volume 186.09689 ppm1 9.720 ppm2 0.783
ASSI {   131}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 131 weight  0.11000E+01 volume 231.89050 ppm1 9.720 ppm2 5.011
ASSI {   141}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 31  and name HB2  ))
     6 6 0 peak 141 weight  0.11000E+01 volume 64.46970 ppm1 9.720 ppm2 1.542
ASSI {   151}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 31  and name HE#  ))
     6 6 0 peak 151 weight  0.11000E+01 volume 88.90480 ppm1 9.719 ppm2 1.260
ASSI {   161}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 161 weight  0.11000E+01 volume 46.95430 ppm1 8.955 ppm2 7.376
ASSI {   171}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 48  and name HN  ))
     6 6 0 peak 171 weight  0.11000E+01 volume 35.86110 ppm1 9.320 ppm2 8.500
ASSI {   181}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 50  and name HE3  ))
     6 6 0 peak 181 weight  0.11000E+01 volume 28.98870 ppm1 9.320 ppm2 6.693
ASSI {   191}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 40  and name HA  ))
     6 6 0 peak 191 weight  0.11000E+01 volume 122.16940 ppm1 9.320 ppm2 5.274
ASSI {   201}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 40  and name HB1  ))
     6 6 0 peak 201 weight  0.11000E+01 volume 110.38200 ppm1 9.320 ppm2 2.037
ASSI {   211}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 211 weight  0.11000E+01 volume 103.09780 ppm1 9.320 ppm2 1.030
ASSI {   221}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 39  and name HG11  ))
     6 6 0 peak 221 weight  0.11000E+01 volume 98.10320 ppm1 9.320 ppm2 1.472
ASSI {   231}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 40  and name HB2  ))
     6 6 0 peak 231 weight  0.11000E+01 volume 118.15390 ppm1 9.320 ppm2 1.269
ASSI {   241}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 241 weight  0.11000E+01 volume 78.58110 ppm1 9.320 ppm2 0.712
ASSI {   251}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 39  and name HG12  ))
     6 6 0 peak 251 weight  0.11000E+01 volume 33.40300 ppm1 9.320 ppm2 0.566
ASSI {   261}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 261 weight  0.11000E+01 volume 68.17560 ppm1 9.320 ppm2 0.224
ASSI {   271}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 271 weight  0.11000E+01 volume 116.62400 ppm1 9.068 ppm2 5.424
ASSI {   281}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 281 weight  0.11000E+01 volume 53.09780 ppm1 9.068 ppm2 4.838
ASSI {   291}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 291 weight  0.11000E+01 volume 56.35000 ppm1 9.068 ppm2 4.545
ASSI {   301}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 18  and name HB1  ))
     6 6 0 peak 301 weight  0.11000E+01 volume 78.90650 ppm1 9.068 ppm2 3.130
ASSI {   311}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 18  and name HB2  ))
     6 6 0 peak 311 weight  0.11000E+01 volume 183.66859 ppm1 9.068 ppm2 2.860
ASSI {   321}
  (( segid "PTBd" and resid 18  and name HN  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 321 weight  0.11000E+01 volume 141.04961 ppm1 9.068 ppm2 0.908
ASSI {   341}
  (( segid "PTBd" and resid 36  and name HN  ))
  (( segid "PTBd" and resid 35  and name HN  ))
     6 6 0 peak 341 weight  0.11000E+01 volume 162.74380 ppm1 7.742 ppm2 7.253
ASSI {   351}
  (( segid "PTBd" and resid 36  and name HN  ))
  (( segid "PTBd" and resid 35  and name HA  ))
     6 6 0 peak 351 weight  0.11000E+01 volume 30.23100 ppm1 7.741 ppm2 4.573
ASSI {   361}
  (( segid "PTBd" and resid 36  and name HN  ))
  (( segid "PTBd" and resid 36  and name HA  ))
     6 6 0 peak 361 weight  0.11000E+01 volume 56.40170 ppm1 7.742 ppm2 4.365
ASSI {   371}
  (( segid "PTBd" and resid 36  and name HN  ))
  (( segid "PTBd" and resid 36  and name HG2#  ))
     6 6 0 peak 371 weight  0.11000E+01 volume 92.79190 ppm1 7.741 ppm2 1.103
ASSI {   381}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 381 weight  0.11000E+01 volume 52.59850 ppm1 9.540 ppm2 2.923
ASSI {   391}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 108  and name HN  ))
     6 6 0 peak 391 weight  0.11000E+01 volume 60.09750 ppm1 8.734 ppm2 8.524
ASSI {   401}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 401 weight  0.11000E+01 volume 46.62480 ppm1 8.734 ppm2 4.498
ASSI {   411}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 411 weight  0.11000E+01 volume 983.20319 ppm1 8.734 ppm2 4.374
ASSI {   421}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 107  and name HG1  ))
     6 6 0 peak 421 weight  0.11000E+01 volume 65.43680 ppm1 8.734 ppm2 2.398
ASSI {   431}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 431 weight  0.11000E+01 volume 89.93380 ppm1 8.734 ppm2 2.299
ASSI {   441}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 441 weight  0.11000E+01 volume 362.64301 ppm1 8.735 ppm2 1.958
ASSI {   451}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 451 weight  0.11000E+01 volume 61.92370 ppm1 8.735 ppm2 0.880
ASSI {   461}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 461 weight  0.11000E+01 volume 64.57230 ppm1 8.735 ppm2 0.862
ASSI {   471}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 32  and name HB2  ))
     6 6 0 peak 471 weight  0.11000E+01 volume 69.92810 ppm1 8.296 ppm2 1.833
ASSI {   481}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 33  and name HB1  ))
     6 6 0 peak 481 weight  0.11000E+01 volume 37.66870 ppm1 8.296 ppm2 1.714
ASSI {   491}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 491 weight  0.11000E+01 volume 42.89580 ppm1 8.296 ppm2 5.009
ASSI {   501}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 32  and name HG1  ))
     6 6 0 peak 501 weight  0.11000E+01 volume 81.31930 ppm1 8.296 ppm2 2.080
ASSI {   511}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 32  and name HG2  ))
     6 6 0 peak 511 weight  0.11000E+01 volume 55.41900 ppm1 8.297 ppm2 1.929
ASSI {   521}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 33  and name HB2  ))
     6 6 0 peak 521 weight  0.11000E+01 volume 106.43430 ppm1 8.296 ppm2 1.592
ASSI {   531}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 12  and name HB2  ))
     6 6 0 peak 531 weight  0.11000E+01 volume 73.09450 ppm1 8.296 ppm2 2.741
ASSI {   541}
  (( segid "PTBd" and resid 52  and name HN  ))
  (( segid "PTBd" and resid 52  and name HD1  ))
     6 6 0 peak 541 weight  0.11000E+01 volume 60.45500 ppm1 8.035 ppm2 6.648
ASSI {   551}
  (( segid "PTBd" and resid 52  and name HN  ))
  (( segid "PTBd" and resid 51  and name HA  ))
     6 6 0 peak 551 weight  0.11000E+01 volume 59.53880 ppm1 8.035 ppm2 4.474
ASSI {   561}
  (( segid "PTBd" and resid 52  and name HN  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 561 weight  0.11000E+01 volume 53.10380 ppm1 8.035 ppm2 4.301
ASSI {   571}
  (( segid "PTBd" and resid 52  and name HN  ))
  (( segid "PTBd" and resid 52  and name HB2  ))
     6 6 0 peak 571 weight  0.11000E+01 volume 78.48530 ppm1 8.035 ppm2 2.612
ASSI {   591}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 591 weight  0.11000E+01 volume 81.90250 ppm1 9.540 ppm2 7.036
ASSI {   611}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 611 weight  0.11000E+01 volume 61.08890 ppm1 9.540 ppm2 3.034
ASSI {   621}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 40  and name HD2#  ))
     6 6 0 peak 621 weight  0.11000E+01 volume 203.11681 ppm1 9.540 ppm2 0.713
ASSI {   631}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 30  and name HN  ))
     6 6 0 peak 631 weight  0.11000E+01 volume 51.28150 ppm1 9.540 ppm2 8.670
ASSI {   641}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 641 weight  0.11000E+01 volume 101.00000 ppm1 9.540 ppm2 5.109
ASSI {   651}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 40  and name HB2  ))
     6 6 0 peak 651 weight  0.11000E+01 volume 138.62399 ppm1 9.540 ppm2 1.270
ASSI {   661}
  (( segid "PTBd" and resid 41  and name HN  ))
  (( segid "PTBd" and resid 40  and name HD1#  ))
     6 6 0 peak 661 weight  0.11000E+01 volume 58.56500 ppm1 9.540 ppm2 1.030
ASSI {   671}
  (( segid "PTBd" and resid 52  and name HN  ))
  (( segid "PTBd" and resid 52  and name HB1  ))
     6 6 0 peak 671 weight  0.11000E+01 volume 67.47940 ppm1 8.035 ppm2 3.031
ASSI {   681}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "FGFR" and resid 220  and name HN  ))
     6 6 0 peak 681 weight  0.11000E+01 volume 45.37250 ppm1 8.515 ppm2 8.841
ASSI {   691}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HN  ))
     6 6 0 peak 691 weight  0.11000E+01 volume 65.99940 ppm1 8.515 ppm2 8.743
ASSI {   701}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 701 weight  0.11000E+01 volume 100.18630 ppm1 8.515 ppm2 4.886
ASSI {   711}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 108  and name HA  ))
     6 6 0 peak 711 weight  0.11000E+01 volume 135.32770 ppm1 8.515 ppm2 4.693
ASSI {   721}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HA  ))
     6 6 0 peak 721 weight  0.11000E+01 volume 553.19873 ppm1 8.515 ppm2 4.494
ASSI {   731}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HG1  ))
     6 6 0 peak 731 weight  0.11000E+01 volume 67.28600 ppm1 8.515 ppm2 2.398
ASSI {   741}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 108  and name HG1  ))
     6 6 0 peak 741 weight  0.11000E+01 volume 97.62670 ppm1 8.515 ppm2 2.200
ASSI {   751}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 108  and name HB1  ))
     6 6 0 peak 751 weight  0.11000E+01 volume 74.67410 ppm1 8.515 ppm2 1.994
ASSI {   761}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 108  and name HB2  ))
     6 6 0 peak 761 weight  0.11000E+01 volume 180.40430 ppm1 8.515 ppm2 1.811
ASSI {   771}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 771 weight  0.11000E+01 volume 101.40510 ppm1 8.516 ppm2 0.738
ASSI {   781}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HG2  ))
     6 6 0 peak 781 weight  0.11000E+01 volume 80.27800 ppm1 8.515 ppm2 2.298
ASSI {   791}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 791 weight  0.11000E+01 volume 70.12160 ppm1 8.515 ppm2 0.880
ASSI {   801}
  (( segid "PTBd" and resid 81  and name HN  ))
  (( segid "PTBd" and resid 80  and name HB1  ))
     6 6 0 peak 801 weight  0.11000E+01 volume 31.51760 ppm1 9.516 ppm2 2.423
ASSI {   811}
  (( segid "PTBd" and resid 81  and name HN  ))
  (( segid "PTBd" and resid 80  and name HB2  ))
     6 6 0 peak 811 weight  0.11000E+01 volume 26.71350 ppm1 9.516 ppm2 1.452
ASSI {   821}
  (( segid "PTBd" and resid 81  and name HN  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 821 weight  0.11000E+01 volume 112.59740 ppm1 9.516 ppm2 1.153
ASSI {   851}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 50  and name HD1  ))
     6 6 0 peak 851 weight  0.11000E+01 volume 72.96170 ppm1 9.003 ppm2 7.596
ASSI {   861}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 80  and name HZ  ))
     6 6 0 peak 861 weight  0.11000E+01 volume 98.90110 ppm1 9.003 ppm2 7.328
ASSI {   891}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 50  and name HZ2  ))
     6 6 0 peak 891 weight  0.11000E+01 volume 85.82180 ppm1 9.003 ppm2 5.985
ASSI {   901}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 67  and name HE1  ))
     6 6 0 peak 901 weight  0.11000E+01 volume 65.89870 ppm1 9.003 ppm2 5.862
ASSI {   911}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 69  and name HB2  ))
     6 6 0 peak 911 weight  0.11000E+01 volume 53.10690 ppm1 9.003 ppm2 4.033
ASSI {   921}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 921 weight  0.11000E+01 volume 71.82970 ppm1 9.003 ppm2 1.080
ASSI {   931}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 931 weight  0.11000E+01 volume 100.57870 ppm1 8.800 ppm2 0.639
ASSI {   941}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 20  and name HN  ))
     6 6 0 peak 941 weight  0.11000E+01 volume 15.96960 ppm1 8.800 ppm2 7.425
ASSI {   951}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 951 weight  0.11000E+01 volume 78.48370 ppm1 8.800 ppm2 5.547
ASSI {   961}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 961 weight  0.11000E+01 volume 117.53230 ppm1 8.800 ppm2 4.520
ASSI {   971}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 971 weight  0.11000E+01 volume 36.72380 ppm1 8.800 ppm2 4.008
ASSI {   981}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 25  and name HB1  ))
     6 6 0 peak 981 weight  0.11000E+01 volume 54.29500 ppm1 8.800 ppm2 2.006
ASSI {   991}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 25  and name HB2  ))
     6 6 0 peak 991 weight  0.11000E+01 volume 92.85880 ppm1 8.800 ppm2 1.885
ASSI {  1001}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 26  and name HB1  ))
     6 6 0 peak 1001 weight  0.11000E+01 volume 99.89120 ppm1 8.800 ppm2 1.540
ASSI {  1011}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 1011 weight  0.11000E+01 volume 56.09550 ppm1 8.800 ppm2 0.908
ASSI {  1021}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 1021 weight  0.11000E+01 volume 69.41060 ppm1 8.800 ppm2 0.811
ASSI {  1031}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 14  and name HA  ))
     6 6 0 peak 1031 weight  0.11000E+01 volume 126.98420 ppm1 9.158 ppm2 4.496
ASSI {  1041}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 1041 weight  0.11000E+01 volume 54.12730 ppm1 9.158 ppm2 2.640
ASSI {  1051}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 15  and name HB1  ))
     6 6 0 peak 1051 weight  0.11000E+01 volume 89.47010 ppm1 9.158 ppm2 1.994
ASSI {  1061}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 15  and name HB2  ))
     6 6 0 peak 1061 weight  0.11000E+01 volume 106.58660 ppm1 9.158 ppm2 1.858
ASSI {  1071}
  (( segid "PTBd" and resid 51  and name HN  ))
  (( segid "PTBd" and resid 50  and name HA  ))
     6 6 0 peak 1071 weight  0.11000E+01 volume 572.94873 ppm1 9.027 ppm2 4.666
ASSI {  1081}
  (( segid "PTBd" and resid 51  and name HN  ))
  (( segid "PTBd" and resid 51  and name HB1  ))
     6 6 0 peak 1081 weight  0.11000E+01 volume 90.55980 ppm1 9.027 ppm2 3.276
ASSI {  1091}
  (( segid "PTBd" and resid 51  and name HN  ))
  (( segid "PTBd" and resid 51  and name HB2  ))
     6 6 0 peak 1091 weight  0.11000E+01 volume 96.99520 ppm1 9.027 ppm2 3.080
ASSI {  1101}
  (( segid "PTBd" and resid 51  and name HN  ))
  (( segid "PTBd" and resid 50  and name HB2  ))
     6 6 0 peak 1101 weight  0.11000E+01 volume 63.79960 ppm1 9.027 ppm2 2.568
ASSI {  1111}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 1111 weight  0.11000E+01 volume 233.31979 ppm1 8.442 ppm2 4.252
ASSI {  1121}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 1121 weight  0.11000E+01 volume 1359.15002 ppm1 8.442 ppm2 4.082
ASSI {  1131}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 112  and name HG1  ))
     6 6 0 peak 1131 weight  0.11000E+01 volume 71.54010 ppm1 8.442 ppm2 2.203
ASSI {  1141}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 112  and name HB1  ))
     6 6 0 peak 1141 weight  0.11000E+01 volume 364.31851 ppm1 8.442 ppm2 1.982
ASSI {  1151}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 112  and name HB2  ))
     6 6 0 peak 1151 weight  0.11000E+01 volume 206.63870 ppm1 8.442 ppm2 1.885
ASSI {  1161}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 111  and name HG1#  ))
     6 6 0 peak 1161 weight  0.11000E+01 volume 114.43390 ppm1 8.442 ppm2 0.864
ASSI {  1171}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 105  and name HN  ))
     6 6 0 peak 1171 weight  0.11000E+01 volume 100.78050 ppm1 8.393 ppm2 8.059
ASSI {  1181}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 104  and name HA  ))
     6 6 0 peak 1181 weight  0.11000E+01 volume 115.26140 ppm1 8.393 ppm2 4.642
ASSI {  1191}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HA  ))
     6 6 0 peak 1191 weight  0.11000E+01 volume 1088.97705 ppm1 8.393 ppm2 4.082
ASSI {  1201}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 1201 weight  0.11000E+01 volume 117.80590 ppm1 8.393 ppm2 2.742
ASSI {  1211}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG12  ))
     6 6 0 peak 1211 weight  0.11000E+01 volume 53.23000 ppm1 8.393 ppm2 1.054
ASSI {  1221}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HB  ))
     6 6 0 peak 1221 weight  0.11000E+01 volume 84.07430 ppm1 8.393 ppm2 1.737
ASSI {  1231}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG11  ))
     6 6 0 peak 1231 weight  0.11000E+01 volume 82.36260 ppm1 8.393 ppm2 1.543
ASSI {  1241}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 1241 weight  0.11000E+01 volume 53.98100 ppm1 9.849 ppm2 7.107
ASSI {  1251}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 1251 weight  0.11000E+01 volume 215.32640 ppm1 9.849 ppm2 5.424
ASSI {  1261}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 1261 weight  0.11000E+01 volume 84.47230 ppm1 9.849 ppm2 5.204
ASSI {  1271}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 1271 weight  0.11000E+01 volume 91.83500 ppm1 9.849 ppm2 3.031
ASSI {  1281}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HB2  ))
     6 6 0 peak 1281 weight  0.11000E+01 volume 131.69180 ppm1 9.849 ppm2 1.767
ASSI {  1291}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HG1  ))
     6 6 0 peak 1291 weight  0.11000E+01 volume 151.70750 ppm1 9.849 ppm2 1.631
ASSI {  1301}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 1301 weight  0.11000E+01 volume 17.98430 ppm1 9.849 ppm2 0.909
ASSI {  1311}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 1311 weight  0.11000E+01 volume 54.45170 ppm1 9.849 ppm2 0.640
ASSI {  1321}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 1321 weight  0.11000E+01 volume 62.71280 ppm1 9.849 ppm2 2.859
ASSI {  1331}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 1331 weight  0.11000E+01 volume 120.32550 ppm1 9.597 ppm2 5.547
ASSI {  1341}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 1341 weight  0.11000E+01 volume 30.11620 ppm1 9.597 ppm2 1.812
ASSI {  1351}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 1351 weight  0.11000E+01 volume 429.84430 ppm1 9.597 ppm2 5.399
ASSI {  1361}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 83  and name HA  ))
     6 6 0 peak 1361 weight  0.11000E+01 volume 127.41810 ppm1 9.597 ppm2 5.205
ASSI {  1371}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 65  and name HB1  ))
     6 6 0 peak 1371 weight  0.11000E+01 volume 117.27660 ppm1 9.597 ppm2 3.131
ASSI {  1381}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 65  and name HB2  ))
     6 6 0 peak 1381 weight  0.11000E+01 volume 129.91660 ppm1 9.597 ppm2 2.812
ASSI {  1391}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 64  and name HG  ))
     6 6 0 peak 1391 weight  0.11000E+01 volume 133.57770 ppm1 9.597 ppm2 1.470
ASSI {  1401}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 1401 weight  0.11000E+01 volume 49.22910 ppm1 9.597 ppm2 0.793
ASSI {  1411}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 111  and name HA  ))
     6 6 0 peak 1411 weight  0.11000E+01 volume 1452.63623 ppm1 8.164 ppm2 4.079
ASSI {  1421}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 111  and name HB  ))
     6 6 0 peak 1421 weight  0.11000E+01 volume 303.94241 ppm1 8.164 ppm2 1.981
ASSI {  1431}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 111  and name HG1#  ))
     6 6 0 peak 1431 weight  0.11000E+01 volume 496.04910 ppm1 8.164 ppm2 0.864
ASSI {  1441}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 112  and name HN  ))
     6 6 0 peak 1441 weight  0.11000E+01 volume 55.86230 ppm1 8.164 ppm2 8.446
ASSI {  1451}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HB1  ))
     6 6 0 peak 1451 weight  0.11000E+01 volume 106.30740 ppm1 9.849 ppm2 1.948
ASSI {  1461}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 110  and name HA  ))
     6 6 0 peak 1461 weight  0.11000E+01 volume 1471.74072 ppm1 8.164 ppm2 4.050
ASSI {  1471}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 90  and name HB1  ))
     6 6 0 peak 1471 weight  0.11000E+01 volume 156.69080 ppm1 7.889 ppm2 0.909
ASSI {  1481}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 89  and name HN  ))
     6 6 0 peak 1481 weight  0.11000E+01 volume 115.05730 ppm1 7.889 ppm2 7.547
ASSI {  1491}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 14  and name HZ  ))
     6 6 0 peak 1491 weight  0.11000E+01 volume 50.52640 ppm1 7.889 ppm2 7.058
ASSI {  1501}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 1501 weight  0.11000E+01 volume 77.98670 ppm1 7.889 ppm2 3.007
ASSI {  1511}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 91  and name HN  ))
     6 6 0 peak 1511 weight  0.11000E+01 volume 53.99690 ppm1 7.889 ppm2 8.059
ASSI {  1521}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 1521 weight  0.11000E+01 volume 19.79470 ppm1 7.889 ppm2 3.592
ASSI {  1531}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 1531 weight  0.11000E+01 volume 126.41210 ppm1 7.889 ppm2 2.251
ASSI {  1541}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 90  and name HB2  ))
     6 6 0 peak 1541 weight  0.11000E+01 volume 138.78780 ppm1 7.889 ppm2 0.273
ASSI {  1551}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 1551 weight  0.11000E+01 volume 48.34640 ppm1 7.889 ppm2 -0.239
ASSI {  1561}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 50  and name HA  ))
     6 6 0 peak 1561 weight  0.11000E+01 volume 125.54740 ppm1 9.481 ppm2 4.667
ASSI {  1571}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 50  and name HB1  ))
     6 6 0 peak 1571 weight  0.11000E+01 volume 141.03630 ppm1 9.481 ppm2 3.032
ASSI {  1581}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 1581 weight  0.11000E+01 volume 186.37570 ppm1 9.481 ppm2 1.406
ASSI {  1591}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 50  and name HZ3  ))
     6 6 0 peak 1591 weight  0.11000E+01 volume 160.18739 ppm1 9.481 ppm2 7.449
ASSI {  1601}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 1601 weight  0.11000E+01 volume 85.87230 ppm1 9.481 ppm2 5.280
ASSI {  1611}
  (( segid "PTBd" and resid 6  and name HN  ))
  (( segid "PTBd" and resid 6  and name HA  ))
     6 6 0 peak 1611 weight  0.11000E+01 volume 79.49740 ppm1 8.091 ppm2 4.375
ASSI {  1621}
  (( segid "PTBd" and resid 6  and name HN  ))
  (( segid "PTBd" and resid 5  and name HA  ))
     6 6 0 peak 1621 weight  0.11000E+01 volume 216.05020 ppm1 8.091 ppm2 4.277
ASSI {  1631}
  (( segid "PTBd" and resid 6  and name HN  ))
  (( segid "PTBd" and resid 6  and name HB  ))
     6 6 0 peak 1631 weight  0.11000E+01 volume 94.38010 ppm1 8.091 ppm2 2.008
ASSI {  1641}
  (( segid "PTBd" and resid 6  and name HN  ))
  (( segid "PTBd" and resid 6  and name HG1#  ))
     6 6 0 peak 1641 weight  0.11000E+01 volume 183.05769 ppm1 8.091 ppm2 0.861
ASSI {  1651}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 1651 weight  0.11000E+01 volume 73.48880 ppm1 7.628 ppm2 0.761
ASSI {  1661}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 54  and name HN  ))
     6 6 0 peak 1661 weight  0.11000E+01 volume 84.32830 ppm1 7.628 ppm2 8.499
ASSI {  1671}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 54  and name HA  ))
     6 6 0 peak 1671 weight  0.11000E+01 volume 32.93820 ppm1 7.628 ppm2 5.081
ASSI {  1681}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HA  ))
     6 6 0 peak 1681 weight  0.11000E+01 volume 64.69420 ppm1 7.628 ppm2 4.618
ASSI {  1691}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 1691 weight  0.11000E+01 volume 53.93280 ppm1 7.628 ppm2 4.299
ASSI {  1701}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HB1  ))
     6 6 0 peak 1701 weight  0.11000E+01 volume 179.02431 ppm1 7.628 ppm2 2.201
ASSI {  1711}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HG  ))
     6 6 0 peak 1711 weight  0.11000E+01 volume 226.71060 ppm1 7.628 ppm2 2.007
ASSI {  1721}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HB2  ))
     6 6 0 peak 1721 weight  0.11000E+01 volume 99.74570 ppm1 7.628 ppm2 1.298
ASSI {  1731}
  (( segid "PTBd" and resid 55  and name HN  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 1731 weight  0.11000E+01 volume 64.72090 ppm1 7.628 ppm2 0.616
ASSI {  1741}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 32  and name HN  ))
     6 6 0 peak 1741 weight  0.11000E+01 volume 45.47080 ppm1 9.109 ppm2 10.159
ASSI {  1751}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 1751 weight  0.11000E+01 volume 35.79630 ppm1 9.109 ppm2 5.009
ASSI {  1761}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 1761 weight  0.11000E+01 volume 69.03120 ppm1 9.109 ppm2 4.690
ASSI {  1771}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 1771 weight  0.11000E+01 volume 393.81070 ppm1 9.109 ppm2 4.887
ASSI {  1781}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 1781 weight  0.11000E+01 volume 80.39790 ppm1 9.109 ppm2 1.640
ASSI {  1791}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 39  and name HG11  ))
     6 6 0 peak 1791 weight  0.11000E+01 volume 159.99831 ppm1 9.109 ppm2 1.471
ASSI {  1801}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 1801 weight  0.11000E+01 volume 108.41610 ppm1 9.109 ppm2 0.761
ASSI {  1811}
  (( segid "PTBd" and resid 39  and name HN  ))
  (( segid "PTBd" and resid 39  and name HG2#  ))
     6 6 0 peak 1811 weight  0.11000E+01 volume 85.76330 ppm1 9.109 ppm2 0.222
ASSI {  1821}
  (( segid "PTBd" and resid 119  and name HN  ))
  (( segid "PTBd" and resid 120  and name HN  ))
     6 6 0 peak 1821 weight  0.11000E+01 volume 49.71340 ppm1 8.434 ppm2 8.132
ASSI {  1831}
  (( segid "PTBd" and resid 119  and name HN  ))
  (( segid "PTBd" and resid 119  and name HA  ))
     6 6 0 peak 1831 weight  0.11000E+01 volume 143.99780 ppm1 8.434 ppm2 4.276
ASSI {  1841}
  (( segid "PTBd" and resid 119  and name HN  ))
  (( segid "PTBd" and resid 119  and name HB1  ))
     6 6 0 peak 1841 weight  0.11000E+01 volume 42.48130 ppm1 8.434 ppm2 2.031
ASSI {  1851}
  (( segid "PTBd" and resid 119  and name HN  ))
  (( segid "PTBd" and resid 119  and name HB2  ))
     6 6 0 peak 1851 weight  0.11000E+01 volume 61.58370 ppm1 8.434 ppm2 1.933
ASSI {  1861}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 1861 weight  0.11000E+01 volume 30.93570 ppm1 8.507 ppm2 3.618
ASSI {  1871}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 1871 weight  0.11000E+01 volume 147.53400 ppm1 8.507 ppm2 5.131
ASSI {  1881}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 1881 weight  0.11000E+01 volume 97.47210 ppm1 8.507 ppm2 3.350
ASSI {  1891}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 1891 weight  0.11000E+01 volume 83.62660 ppm1 8.507 ppm2 3.983
ASSI {  1901}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 40  and name HN  ))
     6 6 0 peak 1901 weight  0.11000E+01 volume 44.82540 ppm1 8.507 ppm2 9.305
ASSI {  1911}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 80  and name HD1  ))
     6 6 0 peak 1911 weight  0.11000E+01 volume 127.52890 ppm1 8.507 ppm2 6.619
ASSI {  1921}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 80  and name HB2  ))
     6 6 0 peak 1921 weight  0.11000E+01 volume 323.99469 ppm1 8.507 ppm2 1.452
ASSI {  1931}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 1931 weight  0.11000E+01 volume 193.97830 ppm1 8.507 ppm2 1.444
ASSI {  1941}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 1941 weight  0.11000E+01 volume 94.47460 ppm1 8.507 ppm2 1.250
ASSI {  1961}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 1961 weight  0.11000E+01 volume 45.52560 ppm1 8.507 ppm2 -0.068
ASSI {  1971}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 67  and name HN  ))
     6 6 0 peak 1971 weight  0.11000E+01 volume 21.80440 ppm1 8.508 ppm2 8.034
ASSI {  1981}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 1981 weight  0.11000E+01 volume 69.42180 ppm1 8.508 ppm2 5.689
ASSI {  1991}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 80  and name HB1  ))
     6 6 0 peak 1991 weight  0.11000E+01 volume 63.83710 ppm1 8.507 ppm2 2.422
ASSI {  2001}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 2001 weight  0.11000E+01 volume 109.71910 ppm1 8.507 ppm2 0.543
ASSI {  2011}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 2011 weight  0.11000E+01 volume 39.35620 ppm1 8.507 ppm2 4.179
ASSI {  2021}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 113  and name HG1  ))
     6 6 0 peak 2021 weight  0.11000E+01 volume 66.38240 ppm1 8.352 ppm2 1.592
ASSI {  2031}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 112  and name HA  ))
     6 6 0 peak 2031 weight  0.11000E+01 volume 325.75510 ppm1 8.352 ppm2 4.252
ASSI {  2041}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 113  and name HB2  ))
     6 6 0 peak 2041 weight  0.11000E+01 volume 78.47840 ppm1 8.352 ppm2 1.713
ASSI {  2051}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 2051 weight  0.11000E+01 volume 22.20260 ppm1 8.190 ppm2 5.765
ASSI {  2061}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 2061 weight  0.11000E+01 volume 85.23800 ppm1 8.190 ppm2 3.008
ASSI {  2071}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 2071 weight  0.11000E+01 volume 79.82250 ppm1 8.190 ppm2 2.827
ASSI {  2081}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 2081 weight  0.11000E+01 volume 161.88780 ppm1 8.190 ppm2 1.394
ASSI {  2091}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 61  and name HN  ))
     6 6 0 peak 2091 weight  0.11000E+01 volume 83.34890 ppm1 8.190 ppm2 9.422
ASSI {  2101}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 63  and name HN  ))
     6 6 0 peak 2101 weight  0.11000E+01 volume 82.96540 ppm1 8.190 ppm2 8.864
ASSI {  2111}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HA  ))
     6 6 0 peak 2111 weight  0.11000E+01 volume 145.02390 ppm1 8.190 ppm2 5.400
ASSI {  2121}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 2121 weight  0.11000E+01 volume 50.95330 ppm1 8.190 ppm2 4.251
ASSI {  2131}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 2131 weight  0.11000E+01 volume 178.72870 ppm1 8.190 ppm2 5.178
ASSI {  2141}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 2141 weight  0.11000E+01 volume 29.31930 ppm1 8.190 ppm2 1.811
ASSI {  2151}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 2151 weight  0.11000E+01 volume 338.46329 ppm1 8.190 ppm2 1.515
ASSI {  2161}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HD2#  ))
     6 6 0 peak 2161 weight  0.11000E+01 volume 59.36600 ppm1 8.190 ppm2 0.793
ASSI {  2171}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 119  and name HA  ))
     6 6 0 peak 2171 weight  0.11000E+01 volume 805.39581 ppm1 8.124 ppm2 4.277
ASSI {  2181}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 119  and name HG1  ))
     6 6 0 peak 2181 weight  0.11000E+01 volume 54.87330 ppm1 8.124 ppm2 2.217
ASSI {  2191}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 119  and name HB1  ))
     6 6 0 peak 2191 weight  0.11000E+01 volume 82.76020 ppm1 8.124 ppm2 2.032
ASSI {  2201}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 120  and name HB1  ))
     6 6 0 peak 2201 weight  0.11000E+01 volume 124.20530 ppm1 8.124 ppm2 1.595
ASSI {  2211}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 120  and name HD2#  ))
     6 6 0 peak 2211 weight  0.11000E+01 volume 16.11490 ppm1 8.124 ppm2 0.835
ASSI {  2221}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 2221 weight  0.11000E+01 volume 34.02180 ppm1 8.808 ppm2 4.179
ASSI {  2231}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 112  and name HB1  ))
     6 6 0 peak 2231 weight  0.11000E+01 volume 163.60240 ppm1 8.352 ppm2 1.982
ASSI {  2241}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 2241 weight  0.11000E+01 volume 61.49060 ppm1 8.336 ppm2 0.665
ASSI {  2251}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 92  and name HN  ))
     6 6 0 peak 2251 weight  0.11000E+01 volume 109.00780 ppm1 8.336 ppm2 8.620
ASSI {  2261}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 14  and name HE1  ))
     6 6 0 peak 2261 weight  0.11000E+01 volume 47.97610 ppm1 8.336 ppm2 7.034
ASSI {  2271}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 2271 weight  0.11000E+01 volume 108.32610 ppm1 8.336 ppm2 4.106
ASSI {  2281}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 2281 weight  0.11000E+01 volume 88.47990 ppm1 8.336 ppm2 3.007
ASSI {  2291}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 2291 weight  0.11000E+01 volume 63.21850 ppm1 8.336 ppm2 2.759
ASSI {  2301}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 93  and name HG1  ))
     6 6 0 peak 2301 weight  0.11000E+01 volume 75.28670 ppm1 8.336 ppm2 2.665
ASSI {  2311}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 93  and name HG2  ))
     6 6 0 peak 2311 weight  0.11000E+01 volume 64.31790 ppm1 8.336 ppm2 2.495
ASSI {  2321}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 112  and name HG1  ))
     6 6 0 peak 2321 weight  0.11000E+01 volume 183.18410 ppm1 8.352 ppm2 2.203
ASSI {  2351}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 2351 weight  0.11000E+01 volume 166.11861 ppm1 9.866 ppm2 5.692
ASSI {  2361}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 2361 weight  0.11000E+01 volume 99.40340 ppm1 9.866 ppm2 5.292
ASSI {  2371}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 68  and name HG1  ))
     6 6 0 peak 2371 weight  0.11000E+01 volume 56.80490 ppm1 9.866 ppm2 2.299
ASSI {  2381}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 68  and name HG2  ))
     6 6 0 peak 2381 weight  0.11000E+01 volume 98.92180 ppm1 9.866 ppm2 1.975
ASSI {  2391}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 78  and name HN  ))
     6 6 0 peak 2391 weight  0.11000E+01 volume 84.41840 ppm1 9.866 ppm2 8.058
ASSI {  2401}
  (( segid "PTBd" and resid 69  and name HN  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 2401 weight  0.11000E+01 volume 41.21180 ppm1 9.865 ppm2 4.178
ASSI {  2411}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 2411 weight  0.11000E+01 volume 613.00439 ppm1 8.808 ppm2 4.960
ASSI {  2421}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 2421 weight  0.11000E+01 volume 267.64410 ppm1 8.808 ppm2 1.965
ASSI {  2431}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "FGFR" and resid 219  and name HB  ))
     6 6 0 peak 2431 weight  0.11000E+01 volume 30.44770 ppm1 8.808 ppm2 1.421
ASSI {  2441}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 106  and name HG1#  ))
     6 6 0 peak 2441 weight  0.11000E+01 volume 571.58112 ppm1 8.808 ppm2 0.880
ASSI {  2451}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 106  and name HG2#  ))
     6 6 0 peak 2451 weight  0.11000E+01 volume 431.87140 ppm1 8.808 ppm2 0.862
ASSI {  2461}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 106  and name HA  ))
     6 6 0 peak 2461 weight  0.11000E+01 volume 161.76010 ppm1 8.808 ppm2 4.373
ASSI {  2471}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 41  and name HN  ))
     6 6 0 peak 2471 weight  0.11000E+01 volume 45.40800 ppm1 8.678 ppm2 9.524
ASSI {  2481}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 2481 weight  0.11000E+01 volume 105.71450 ppm1 8.678 ppm2 5.008
ASSI {  2491}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 29  and name HA2  ))
     6 6 0 peak 2491 weight  0.11000E+01 volume 147.23340 ppm1 8.678 ppm2 4.130
ASSI {  2501}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 2501 weight  0.11000E+01 volume 41.96660 ppm1 8.678 ppm2 2.923
ASSI {  2511}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 30  and name HB  ))
     6 6 0 peak 2511 weight  0.11000E+01 volume 169.88980 ppm1 8.678 ppm2 1.811
ASSI {  2521}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 30  and name HG12  ))
     6 6 0 peak 2521 weight  0.11000E+01 volume 117.64900 ppm1 8.678 ppm2 1.250
ASSI {  2531}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 2531 weight  0.11000E+01 volume 231.58701 ppm1 8.678 ppm2 0.781
ASSI {  2541}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 29  and name HA1  ))
     6 6 0 peak 2541 weight  0.11000E+01 volume 208.03011 ppm1 8.678 ppm2 4.569
ASSI {  2551}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 88  and name HN  ))
     6 6 0 peak 2551 weight  0.11000E+01 volume 90.84220 ppm1 7.197 ppm2 8.401
ASSI {  2561}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 86  and name HN  ))
     6 6 0 peak 2561 weight  0.11000E+01 volume 69.08410 ppm1 7.197 ppm2 7.913
ASSI {  2571}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 2571 weight  0.11000E+01 volume 118.33650 ppm1 7.197 ppm2 4.986
ASSI {  2581}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 2581 weight  0.11000E+01 volume 296.52100 ppm1 7.197 ppm2 3.593
ASSI {  2601}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 2601 weight  0.11000E+01 volume 56.71950 ppm1 7.197 ppm2 2.762
ASSI {  2631}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 86  and name HB2  ))
     6 6 0 peak 2631 weight  0.11000E+01 volume 69.05390 ppm1 7.197 ppm2 1.657
ASSI {  2641}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 2641 weight  0.11000E+01 volume 933.44849 ppm1 7.197 ppm2 1.811
ASSI {  2651}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 2651 weight  0.11000E+01 volume 83.43020 ppm1 7.197 ppm2 5.179
ASSI {  2661}
  (( segid "PTBd" and resid 87  and name HN  ))
  (( segid "PTBd" and resid 85  and name HA  ))
     6 6 0 peak 2661 weight  0.11000E+01 volume 84.16870 ppm1 7.197 ppm2 4.594
ASSI {  2681}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 2681 weight  0.11000E+01 volume 254.47720 ppm1 8.222 ppm2 1.246
ASSI {  2691}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 2691 weight  0.11000E+01 volume 64.34650 ppm1 8.222 ppm2 0.664
ASSI {  2701}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 2701 weight  0.11000E+01 volume 57.24980 ppm1 8.221 ppm2 3.813
ASSI {  2711}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 94  and name HA  ))
     6 6 0 peak 2711 weight  0.11000E+01 volume 63.94300 ppm1 8.221 ppm2 3.640
ASSI {  2721}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 2721 weight  0.11000E+01 volume 219.97350 ppm1 8.222 ppm2 0.956
ASSI {  2731}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 94  and name HG  ))
     6 6 0 peak 2731 weight  0.11000E+01 volume 131.62399 ppm1 8.222 ppm2 0.778
ASSI {  2741}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 93  and name HB1  ))
     6 6 0 peak 2741 weight  0.11000E+01 volume 219.25490 ppm1 8.222 ppm2 2.196
ASSI {  2751}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 93  and name HB2  ))
     6 6 0 peak 2751 weight  0.11000E+01 volume 522.10388 ppm1 8.222 ppm2 1.975
ASSI {  2761}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 96  and name HN  ))
     6 6 0 peak 2761 weight  0.11000E+01 volume 63.17550 ppm1 8.221 ppm2 7.406
ASSI {  2781}
  (( segid "PTBd" and resid 38  and name HN  ))
  (( segid "PTBd" and resid 38  and name HB1  ))
     6 6 0 peak 2781 weight  0.11000E+01 volume 77.90710 ppm1 8.231 ppm2 1.712
ASSI {  2791}
  (( segid "PTBd" and resid 38  and name HN  ))
  (( segid "PTBd" and resid 38  and name HB2  ))
     6 6 0 peak 2791 weight  0.11000E+01 volume 100.25970 ppm1 8.231 ppm2 1.588
ASSI {  2801}
  (( segid "PTBd" and resid 38  and name HN  ))
  (( segid "PTBd" and resid 38  and name HD2#  ))
     6 6 0 peak 2801 weight  0.11000E+01 volume 58.42760 ppm1 8.231 ppm2 0.276
ASSI {  2821}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 96  and name HB1  ))
     6 6 0 peak 2821 weight  0.11000E+01 volume 122.56900 ppm1 8.132 ppm2 2.106
ASSI {  2831}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HG12  ))
     6 6 0 peak 2831 weight  0.11000E+01 volume 105.81730 ppm1 8.132 ppm2 0.932
ASSI {  2841}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 2841 weight  0.11000E+01 volume 78.29850 ppm1 8.132 ppm2 0.589
ASSI {  2851}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 96  and name HN  ))
     6 6 0 peak 2851 weight  0.11000E+01 volume 45.18810 ppm1 8.132 ppm2 7.425
ASSI {  2861}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 2861 weight  0.11000E+01 volume 95.90040 ppm1 8.132 ppm2 1.567
ASSI {  2871}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HD1#  ))
     6 6 0 peak 2871 weight  0.11000E+01 volume 91.81330 ppm1 8.132 ppm2 0.708
ASSI {  2881}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HG11  ))
     6 6 0 peak 2881 weight  0.11000E+01 volume 66.46470 ppm1 8.132 ppm2 1.713
ASSI {  2891}
  (( segid "PTBd" and resid 97  and name HN  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 2891 weight  0.11000E+01 volume 159.44330 ppm1 8.132 ppm2 3.591
ASSI {  2901}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 49  and name HA  ))
     6 6 0 peak 2901 weight  0.11000E+01 volume 92.70110 ppm1 7.515 ppm2 5.302
ASSI {  2911}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 109  and name HA  ))
     6 6 0 peak 2911 weight  0.11000E+01 volume 1410.33484 ppm1 8.255 ppm2 4.458
ASSI {  2921}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 109  and name HB1  ))
     6 6 0 peak 2921 weight  0.11000E+01 volume 172.30510 ppm1 8.255 ppm2 2.274
ASSI {  2931}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 110  and name HB  ))
     6 6 0 peak 2931 weight  0.11000E+01 volume 993.45453 ppm1 8.255 ppm2 2.007
ASSI {  2941}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 109  and name HB2  ))
     6 6 0 peak 2941 weight  0.11000E+01 volume 312.06979 ppm1 8.255 ppm2 1.836
ASSI {  2951}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 110  and name HG1#  ))
     6 6 0 peak 2951 weight  0.11000E+01 volume 205.43820 ppm1 8.255 ppm2 0.913
ASSI {  2961}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 101  and name HN  ))
     6 6 0 peak 2961 weight  0.11000E+01 volume 79.99700 ppm1 8.060 ppm2 7.695
ASSI {  2971}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 101  and name HB2  ))
     6 6 0 peak 2971 weight  0.11000E+01 volume 39.00560 ppm1 8.060 ppm2 2.592
ASSI {  2981}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG11  ))
     6 6 0 peak 2981 weight  0.11000E+01 volume 173.95490 ppm1 8.060 ppm2 1.542
ASSI {  3001}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 101  and name HB1  ))
     6 6 0 peak 3001 weight  0.11000E+01 volume 59.34960 ppm1 8.060 ppm2 2.979
ASSI {  3011}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 103  and name HB  ))
     6 6 0 peak 3011 weight  0.11000E+01 volume 177.27000 ppm1 8.060 ppm2 1.737
ASSI {  3021}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG12  ))
     6 6 0 peak 3021 weight  0.11000E+01 volume 115.87700 ppm1 8.060 ppm2 1.053
ASSI {  3031}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 3031 weight  0.11000E+01 volume 195.30251 ppm1 8.060 ppm2 0.885
ASSI {  3041}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 48  and name HA  ))
     6 6 0 peak 3041 weight  0.11000E+01 volume 770.22717 ppm1 7.515 ppm2 3.983
ASSI {  3051}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 48  and name HB  ))
     6 6 0 peak 3051 weight  0.11000E+01 volume 84.08890 ppm1 7.514 ppm2 1.447
ASSI {  3061}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 49  and name HG1  ))
     6 6 0 peak 3061 weight  0.11000E+01 volume 235.97980 ppm1 7.515 ppm2 1.079
ASSI {  3071}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 48  and name HG1#  ))
     6 6 0 peak 3071 weight  0.11000E+01 volume 46.45040 ppm1 7.514 ppm2 0.545
ASSI {  3081}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 48  and name HG2#  ))
     6 6 0 peak 3081 weight  0.11000E+01 volume 140.31430 ppm1 7.515 ppm2 -0.068
ASSI {  3091}
  (( segid "PTBd" and resid 14  and name HN  ))
  (( segid "PTBd" and resid 30  and name HG2#  ))
     6 6 0 peak 3091 weight  0.11000E+01 volume 85.31910 ppm1 9.296 ppm2 0.779
ASSI {  3101}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HD1  ))
     6 6 0 peak 3101 weight  0.11000E+01 volume 77.17460 ppm1 8.677 ppm2 3.184
ASSI {  3111}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HB2  ))
     6 6 0 peak 3111 weight  0.11000E+01 volume 129.31461 ppm1 8.677 ppm2 1.784
ASSI {  3121}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HG1  ))
     6 6 0 peak 3121 weight  0.11000E+01 volume 80.16190 ppm1 8.677 ppm2 1.664
ASSI {  3131}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 3131 weight  0.11000E+01 volume 97.97900 ppm1 8.677 ppm2 4.545
ASSI {  3141}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HG2  ))
     6 6 0 peak 3141 weight  0.11000E+01 volume 75.71690 ppm1 8.677 ppm2 1.562
ASSI {  3151}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 64  and name HB2  ))
     6 6 0 peak 3151 weight  0.11000E+01 volume 42.08130 ppm1 9.427 ppm2 1.393
ASSI {  3161}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 64  and name HN  ))
     6 6 0 peak 3161 weight  0.11000E+01 volume 42.89670 ppm1 9.427 ppm2 8.206
ASSI {  3171}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 3171 weight  0.11000E+01 volume 80.71370 ppm1 9.427 ppm2 6.449
ASSI {  3181}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 3181 weight  0.11000E+01 volume 132.04660 ppm1 9.427 ppm2 5.766
ASSI {  3191}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 3191 weight  0.11000E+01 volume 104.35530 ppm1 9.427 ppm2 4.276
ASSI {  3201}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 60  and name HB1  ))
     6 6 0 peak 3201 weight  0.11000E+01 volume 119.44190 ppm1 9.427 ppm2 3.641
ASSI {  3211}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 3211 weight  0.11000E+01 volume 81.50210 ppm1 9.427 ppm2 2.813
ASSI {  3221}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 3221 weight  0.11000E+01 volume 48.88530 ppm1 9.427 ppm2 1.810
ASSI {  3231}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 64  and name HB1  ))
     6 6 0 peak 3231 weight  0.11000E+01 volume 51.94700 ppm1 9.427 ppm2 1.512
ASSI {  3241}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 3241 weight  0.11000E+01 volume 50.91610 ppm1 9.427 ppm2 0.518
ASSI {  3251}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 3251 weight  0.11000E+01 volume 157.49071 ppm1 9.428 ppm2 2.943
ASSI {  3261}
  (( segid "PTBd" and resid 14  and name HN  ))
  (( segid "PTBd" and resid 14  and name HD1  ))
     6 6 0 peak 3261 weight  0.11000E+01 volume 137.87849 ppm1 9.296 ppm2 6.912
ASSI {  3271}
  (( segid "PTBd" and resid 14  and name HN  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 3271 weight  0.11000E+01 volume 220.57201 ppm1 9.296 ppm2 5.155
ASSI {  3281}
  (( segid "PTBd" and resid 14  and name HN  ))
  (( segid "PTBd" and resid 14  and name HB1  ))
     6 6 0 peak 3281 weight  0.11000E+01 volume 177.10260 ppm1 9.296 ppm2 2.641
ASSI {  3291}
  (( segid "PTBd" and resid 14  and name HN  ))
  (( segid "PTBd" and resid 13  and name HG1  ))
     6 6 0 peak 3291 weight  0.11000E+01 volume 45.13760 ppm1 9.296 ppm2 1.287
ASSI {  3301}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 3301 weight  0.11000E+01 volume 99.59520 ppm1 8.670 ppm2 2.496
ASSI {  3311}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 76  and name HA1  ))
     6 6 0 peak 3311 weight  0.11000E+01 volume 178.27020 ppm1 8.670 ppm2 4.373
ASSI {  3321}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 77  and name HA  ))
     6 6 0 peak 3321 weight  0.11000E+01 volume 126.35000 ppm1 8.670 ppm2 4.202
ASSI {  3331}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 3331 weight  0.11000E+01 volume 95.19790 ppm1 8.670 ppm2 4.080
ASSI {  3341}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 77  and name HB1  ))
     6 6 0 peak 3341 weight  0.11000E+01 volume 222.27589 ppm1 8.670 ppm2 1.909
ASSI {  3351}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 3351 weight  0.11000E+01 volume 54.80070 ppm1 8.092 ppm2 2.943
ASSI {  3371}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 3371 weight  0.11000E+01 volume 58.73800 ppm1 8.091 ppm2 5.764
ASSI {  3381}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 3381 weight  0.11000E+01 volume 112.58470 ppm1 8.092 ppm2 3.448
ASSI {  3391}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 3391 weight  0.11000E+01 volume 202.78940 ppm1 8.092 ppm2 3.251
ASSI {  3401}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 59  and name HN  ))
     6 6 0 peak 3401 weight  0.11000E+01 volume 41.78860 ppm1 8.092 ppm2 8.962
ASSI {  3411}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 65  and name HA  ))
     6 6 0 peak 3411 weight  0.11000E+01 volume 522.00659 ppm1 8.091 ppm2 5.546
ASSI {  3421}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 3421 weight  0.11000E+01 volume 115.03000 ppm1 8.092 ppm2 5.406
ASSI {  3451}
  (( segid "PTBd" and resid 24  and name HD21  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 3451 weight  0.11000E+01 volume 76.52820 ppm1 8.938 ppm2 2.468
ASSI {  3461}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 64  and name HN  ))
     6 6 0 peak 3461 weight  0.11000E+01 volume 38.55650 ppm1 8.857 ppm2 8.181
ASSI {  3471}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 3471 weight  0.11000E+01 volume 40.94130 ppm1 8.857 ppm2 2.828
ASSI {  3481}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 3481 weight  0.11000E+01 volume 86.55110 ppm1 8.857 ppm2 4.254
ASSI {  3491}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 62  and name HB2  ))
     6 6 0 peak 3491 weight  0.11000E+01 volume 25.76040 ppm1 8.857 ppm2 3.886
ASSI {  3501}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 62  and name HB1  ))
     6 6 0 peak 3501 weight  0.11000E+01 volume 55.80920 ppm1 8.857 ppm2 3.983
ASSI {  3511}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 78  and name HA1  ))
     6 6 0 peak 3511 weight  0.11000E+01 volume 84.42980 ppm1 7.783 ppm2 3.886
ASSI {  3521}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "FGFR" and resid 208  and name HB1  ))
     6 6 0 peak 3521 weight  0.11000E+01 volume 66.63210 ppm1 7.783 ppm2 1.713
ASSI {  3531}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 79  and name HD1#  ))
     6 6 0 peak 3531 weight  0.11000E+01 volume 77.11170 ppm1 7.783 ppm2 0.503
ASSI {  3541}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 79  and name HA  ))
     6 6 0 peak 3541 weight  0.11000E+01 volume 53.20540 ppm1 7.783 ppm2 4.178
ASSI {  3551}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 78  and name HA2  ))
     6 6 0 peak 3551 weight  0.11000E+01 volume 93.04840 ppm1 7.784 ppm2 3.375
ASSI {  3561}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 79  and name HG11  ))
     6 6 0 peak 3561 weight  0.11000E+01 volume 81.14350 ppm1 7.783 ppm2 1.372
ASSI {  3571}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 3571 weight  0.11000E+01 volume 130.19839 ppm1 7.783 ppm2 1.177
ASSI {  3581}
  (( segid "PTBd" and resid 24  and name HD22  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 3581 weight  0.11000E+01 volume 155.67619 ppm1 7.274 ppm2 2.766
ASSI {  3591}
  (( segid "PTBd" and resid 24  and name HD22  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 3591 weight  0.11000E+01 volume 90.04800 ppm1 7.274 ppm2 2.468
ASSI {  3601}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 3601 weight  0.11000E+01 volume 253.69170 ppm1 8.556 ppm2 2.838
ASSI {  3611}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 99  and name HN  ))
     6 6 0 peak 3611 weight  0.11000E+01 volume 145.58949 ppm1 8.556 ppm2 7.890
ASSI {  3621}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 101  and name HN  ))
     6 6 0 peak 3621 weight  0.11000E+01 volume 113.72500 ppm1 8.556 ppm2 7.717
ASSI {  3631}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 100  and name HA  ))
     6 6 0 peak 3631 weight  0.11000E+01 volume 95.79230 ppm1 8.556 ppm2 4.521
ASSI {  3641}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 99  and name HA  ))
     6 6 0 peak 3641 weight  0.11000E+01 volume 91.47750 ppm1 8.555 ppm2 4.129
ASSI {  3651}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 97  and name HA  ))
     6 6 0 peak 3651 weight  0.11000E+01 volume 52.39470 ppm1 8.555 ppm2 3.591
ASSI {  3661}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 3661 weight  0.11000E+01 volume 313.42670 ppm1 8.556 ppm2 2.958
ASSI {  3671}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 99  and name HB2  ))
     6 6 0 peak 3671 weight  0.11000E+01 volume 282.92111 ppm1 8.556 ppm2 2.123
ASSI {  3681}
  (( segid "PTBd" and resid 8  and name HN  ))
  (( segid "PTBd" and resid 7  and name HA  ))
     6 6 0 peak 3681 weight  0.11000E+01 volume 31.98830 ppm1 8.271 ppm2 4.375
ASSI {  3691}
  (( segid "PTBd" and resid 24  and name HD21  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 3691 weight  0.11000E+01 volume 90.31350 ppm1 8.938 ppm2 2.766
ASSI {  3701}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 24  and name HD21  ))
     6 6 0 peak 3701 weight  0.11000E+01 volume 34.59380 ppm1 8.670 ppm2 8.939
ASSI {  3711}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 23  and name HN  ))
     6 6 0 peak 3711 weight  0.11000E+01 volume 333.56781 ppm1 8.670 ppm2 7.936
ASSI {  3721}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 22  and name HN  ))
     6 6 0 peak 3721 weight  0.11000E+01 volume 119.41060 ppm1 8.670 ppm2 7.815
ASSI {  3731}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 20  and name HN  ))
     6 6 0 peak 3731 weight  0.11000E+01 volume 101.47750 ppm1 8.670 ppm2 7.427
ASSI {  3741}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 24  and name HA  ))
     6 6 0 peak 3741 weight  0.11000E+01 volume 112.94740 ppm1 8.670 ppm2 4.448
ASSI {  3751}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 23  and name HA1  ))
     6 6 0 peak 3751 weight  0.11000E+01 volume 121.16010 ppm1 8.670 ppm2 4.139
ASSI {  3761}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 3761 weight  0.11000E+01 volume 336.15149 ppm1 8.670 ppm2 2.764
ASSI {  3771}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 3771 weight  0.11000E+01 volume 480.49329 ppm1 8.670 ppm2 2.468
ASSI {  3801}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 83  and name HN  ))
     6 6 0 peak 3801 weight  0.11000E+01 volume 67.19860 ppm1 8.663 ppm2 9.843
ASSI {  3811}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 82  and name HE1  ))
     6 6 0 peak 3811 weight  0.11000E+01 volume 73.73000 ppm1 8.663 ppm2 7.254
ASSI {  3821}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 3821 weight  0.11000E+01 volume 118.10850 ppm1 8.662 ppm2 5.594
ASSI {  3841}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 3841 weight  0.11000E+01 volume 59.05470 ppm1 8.662 ppm2 3.030
ASSI {  3851}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 16  and name HB  ))
     6 6 0 peak 3851 weight  0.11000E+01 volume 148.63811 ppm1 8.662 ppm2 2.276
ASSI {  3861}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 3861 weight  0.11000E+01 volume 23.92320 ppm1 8.662 ppm2 0.810
ASSI {  3871}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 3871 weight  0.11000E+01 volume 77.00410 ppm1 8.662 ppm2 0.641
ASSI {  3881}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 3881 weight  0.11000E+01 volume 24.36440 ppm1 8.663 ppm2 7.110
ASSI {  3891}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 3891 weight  0.11000E+01 volume 71.27470 ppm1 8.662 ppm2 4.838
ASSI {  3901}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 17  and name HB  ))
     6 6 0 peak 3901 weight  0.11000E+01 volume 237.08710 ppm1 8.662 ppm2 1.714
ASSI {  3911}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 3911 weight  0.11000E+01 volume 44.83520 ppm1 8.662 ppm2 0.895
ASSI {  3921}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 3921 weight  0.11000E+01 volume 36.08140 ppm1 8.035 ppm2 1.152
ASSI {  3931}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "FGFR" and resid 213  and name HD1#  ))
     6 6 0 peak 3931 weight  0.11000E+01 volume 47.19080 ppm1 8.035 ppm2 0.637
ASSI {  3951}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HN  ))
     6 6 0 peak 3951 weight  0.11000E+01 volume 69.95270 ppm1 7.433 ppm2 8.133
ASSI {  3961}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 3961 weight  0.11000E+01 volume 79.48490 ppm1 7.433 ppm2 4.106
ASSI {  3971}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 3971 weight  0.11000E+01 volume 292.41330 ppm1 7.433 ppm2 3.910
ASSI {  3981}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 96  and name HG1  ))
     6 6 0 peak 3981 weight  0.11000E+01 volume 79.10840 ppm1 7.433 ppm2 2.323
ASSI {  3991}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 3991 weight  0.11000E+01 volume 196.70959 ppm1 7.433 ppm2 2.017
ASSI {  4001}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 4001 weight  0.11000E+01 volume 21.16760 ppm1 7.433 ppm2 1.697
ASSI {  4021}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 80  and name HN  ))
     6 6 0 peak 4021 weight  0.11000E+01 volume 60.99910 ppm1 8.035 ppm2 8.499
ASSI {  4031}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 4031 weight  0.11000E+01 volume 78.93270 ppm1 8.035 ppm2 6.644
ASSI {  4041}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 4041 weight  0.11000E+01 volume 46.88550 ppm1 8.035 ppm2 5.180
ASSI {  4061}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 4061 weight  0.11000E+01 volume 58.66610 ppm1 8.035 ppm2 0.544
ASSI {  4071}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 66  and name HA  ))
     6 6 0 peak 4071 weight  0.11000E+01 volume 516.63177 ppm1 8.035 ppm2 5.405
ASSI {  4081}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 66  and name HB1  ))
     6 6 0 peak 4081 weight  0.11000E+01 volume 73.06450 ppm1 8.035 ppm2 3.448
ASSI {  4091}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 66  and name HB2  ))
     6 6 0 peak 4091 weight  0.11000E+01 volume 76.33750 ppm1 8.035 ppm2 3.251
ASSI {  4101}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 4101 weight  0.11000E+01 volume 131.30811 ppm1 7.929 ppm2 4.327
ASSI {  4111}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 46  and name HB1  ))
     6 6 0 peak 4111 weight  0.11000E+01 volume 60.45170 ppm1 7.929 ppm2 2.667
ASSI {  4121}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 46  and name HB2  ))
     6 6 0 peak 4121 weight  0.11000E+01 volume 120.68630 ppm1 7.929 ppm2 2.566
ASSI {  4131}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 4131 weight  0.11000E+01 volume 70.37660 ppm1 7.929 ppm2 1.980
ASSI {  4141}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 45  and name HB2  ))
     6 6 0 peak 4141 weight  0.11000E+01 volume 110.16720 ppm1 7.929 ppm2 1.884
ASSI {  4151}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 45  and name HG1  ))
     6 6 0 peak 4151 weight  0.11000E+01 volume 50.75550 ppm1 7.929 ppm2 1.568
ASSI {  4161}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 4161 weight  0.11000E+01 volume 79.42730 ppm1 8.767 ppm2 5.478
ASSI {  4171}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 67  and name HD1  ))
     6 6 0 peak 4171 weight  0.11000E+01 volume 63.81400 ppm1 8.767 ppm2 6.647
ASSI {  4191}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 57  and name HN  ))
     6 6 0 peak 4191 weight  0.11000E+01 volume 53.50830 ppm1 8.767 ppm2 7.813
ASSI {  4201}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 68  and name HA  ))
     6 6 0 peak 4201 weight  0.11000E+01 volume 61.06280 ppm1 8.767 ppm2 5.692
ASSI {  4211}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 4211 weight  0.11000E+01 volume 74.62230 ppm1 8.767 ppm2 5.325
ASSI {  4221}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 67  and name HB1  ))
     6 6 0 peak 4221 weight  0.11000E+01 volume 176.71831 ppm1 8.767 ppm2 3.251
ASSI {  4231}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 4231 weight  0.11000E+01 volume 104.77150 ppm1 8.767 ppm2 2.919
ASSI {  4241}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 68  and name HB1  ))
     6 6 0 peak 4241 weight  0.11000E+01 volume 79.80590 ppm1 8.767 ppm2 1.948
ASSI {  4251}
  (( segid "PTBd" and resid 68  and name HN  ))
  (( segid "PTBd" and resid 68  and name HB2  ))
     6 6 0 peak 4251 weight  0.11000E+01 volume 82.83760 ppm1 8.767 ppm2 1.790
ASSI {  4261}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 98  and name HG1  ))
     6 6 0 peak 4261 weight  0.11000E+01 volume 74.43950 ppm1 8.482 ppm2 2.666
ASSI {  4271}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 98  and name HG2  ))
     6 6 0 peak 4271 weight  0.11000E+01 volume 112.09370 ppm1 8.482 ppm2 2.226
ASSI {  4281}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 97  and name HG2#  ))
     6 6 0 peak 4281 weight  0.11000E+01 volume 69.24600 ppm1 8.482 ppm2 0.591
ASSI {  4291}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 97  and name HN  ))
     6 6 0 peak 4291 weight  0.11000E+01 volume 83.91150 ppm1 8.482 ppm2 8.133
ASSI {  4301}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 99  and name HN  ))
     6 6 0 peak 4301 weight  0.11000E+01 volume 96.17010 ppm1 8.482 ppm2 7.889
ASSI {  4311}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 4311 weight  0.11000E+01 volume 114.12040 ppm1 8.482 ppm2 3.910
ASSI {  4321}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 97  and name HB  ))
     6 6 0 peak 4321 weight  0.11000E+01 volume 112.90620 ppm1 8.482 ppm2 1.568
ASSI {  4331}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 90  and name HN  ))
     6 6 0 peak 4331 weight  0.11000E+01 volume 118.97370 ppm1 7.547 ppm2 7.889
ASSI {  4341}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 4341 weight  0.11000E+01 volume 130.21700 ppm1 7.547 ppm2 3.960
ASSI {  4351}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 88  and name HN  ))
     6 6 0 peak 4351 weight  0.11000E+01 volume 22.95450 ppm1 7.547 ppm2 8.402
ASSI {  4381}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 4381 weight  0.11000E+01 volume 67.73160 ppm1 7.547 ppm2 2.642
ASSI {  4391}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 89  and name HG1  ))
     6 6 0 peak 4391 weight  0.11000E+01 volume 66.34100 ppm1 7.547 ppm2 2.469
ASSI {  4401}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 89  and name HB1  ))
     6 6 0 peak 4401 weight  0.11000E+01 volume 277.31079 ppm1 7.547 ppm2 2.252
ASSI {  4411}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 88  and name HG1  ))
     6 6 0 peak 4411 weight  0.11000E+01 volume 26.57220 ppm1 7.547 ppm2 1.950
ASSI {  4421}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 24  and name HA  ))
     6 6 0 peak 4421 weight  0.11000E+01 volume 467.50229 ppm1 8.531 ppm2 4.448
ASSI {  4431}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 24  and name HB2  ))
     6 6 0 peak 4431 weight  0.11000E+01 volume 99.29370 ppm1 8.531 ppm2 2.465
ASSI {  4441}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 25  and name HG2  ))
     6 6 0 peak 4441 weight  0.11000E+01 volume 280.19269 ppm1 8.531 ppm2 1.885
ASSI {  4451}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 17  and name HD1#  ))
     6 6 0 peak 4451 weight  0.11000E+01 volume 68.69980 ppm1 8.531 ppm2 0.908
ASSI {  4461}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 25  and name HA  ))
     6 6 0 peak 4461 weight  0.11000E+01 volume 105.62800 ppm1 8.531 ppm2 4.008
ASSI {  4471}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 24  and name HB1  ))
     6 6 0 peak 4471 weight  0.11000E+01 volume 68.66520 ppm1 8.531 ppm2 2.764
ASSI {  4481}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 25  and name HB1  ))
     6 6 0 peak 4481 weight  0.11000E+01 volume 80.59860 ppm1 8.531 ppm2 2.007
ASSI {  4491}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 4491 weight  0.11000E+01 volume 36.71310 ppm1 9.247 ppm2 0.616
ASSI {  4501}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 92  and name HN  ))
     6 6 0 peak 4501 weight  0.11000E+01 volume 74.79160 ppm1 8.051 ppm2 8.620
ASSI {  4511}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 91  and name HB2  ))
     6 6 0 peak 4511 weight  0.11000E+01 volume 177.67230 ppm1 8.051 ppm2 2.982
ASSI {  4521}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HB1  ))
     6 6 0 peak 4521 weight  0.11000E+01 volume 102.94330 ppm1 8.051 ppm2 0.909
ASSI {  4531}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 4531 weight  0.11000E+01 volume 92.25580 ppm1 8.051 ppm2 3.813
ASSI {  4541}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 91  and name HB1  ))
     6 6 0 peak 4541 weight  0.11000E+01 volume 111.38640 ppm1 8.051 ppm2 3.104
ASSI {  4551}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 4551 weight  0.11000E+01 volume 53.14510 ppm1 8.051 ppm2 -0.583
ASSI {  4561}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 57  and name HN  ))
     6 6 0 peak 4561 weight  0.11000E+01 volume 96.77870 ppm1 9.247 ppm2 7.815
ASSI {  4581}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 4581 weight  0.11000E+01 volume 57.79950 ppm1 9.247 ppm2 4.716
ASSI {  4591}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 55  and name HA  ))
     6 6 0 peak 4591 weight  0.11000E+01 volume 79.61220 ppm1 9.247 ppm2 4.618
ASSI {  4601}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 56  and name HB1  ))
     6 6 0 peak 4601 weight  0.11000E+01 volume 127.35560 ppm1 9.247 ppm2 1.958
ASSI {  4611}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 56  and name HG1  ))
     6 6 0 peak 4611 weight  0.11000E+01 volume 117.03850 ppm1 9.247 ppm2 1.690
ASSI {  4621}
  (( segid "PTBd" and resid 56  and name HN  ))
  (( segid "PTBd" and resid 56  and name HB2  ))
     6 6 0 peak 4621 weight  0.11000E+01 volume 106.45390 ppm1 9.247 ppm2 1.493
ASSI {  4631}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 4631 weight  0.11000E+01 volume 48.16900 ppm1 8.051 ppm2 2.642
ASSI {  4641}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HN  ))
     6 6 0 peak 4641 weight  0.11000E+01 volume 223.58220 ppm1 8.051 ppm2 7.889
ASSI {  4651}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 4651 weight  0.11000E+01 volume 72.99370 ppm1 8.051 ppm2 7.352
ASSI {  4661}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 4661 weight  0.11000E+01 volume 30.96680 ppm1 8.051 ppm2 3.593
ASSI {  4681}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HB2  ))
     6 6 0 peak 4681 weight  0.11000E+01 volume 113.81650 ppm1 8.051 ppm2 0.272
ASSI {  4691}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HD1#  ))
     6 6 0 peak 4691 weight  0.11000E+01 volume 57.96950 ppm1 8.051 ppm2 -0.239
ASSI {  4701}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 91  and name HE1  ))
     6 6 0 peak 4701 weight  0.11000E+01 volume 34.02720 ppm1 8.051 ppm2 7.107
ASSI {  4711}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 100  and name HN  ))
     6 6 0 peak 4711 weight  0.11000E+01 volume 138.03481 ppm1 7.897 ppm2 8.547
ASSI {  4721}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 99  and name HA  ))
     6 6 0 peak 4721 weight  0.11000E+01 volume 120.73480 ppm1 7.897 ppm2 4.129
ASSI {  4731}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 4731 weight  0.11000E+01 volume 126.67200 ppm1 7.897 ppm2 3.910
ASSI {  4741}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 4741 weight  0.11000E+01 volume 69.56230 ppm1 7.897 ppm2 2.491
ASSI {  4751}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 4751 weight  0.11000E+01 volume 84.30980 ppm1 7.897 ppm2 2.401
ASSI {  4761}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 99  and name HB2  ))
     6 6 0 peak 4761 weight  0.11000E+01 volume 717.44421 ppm1 7.897 ppm2 2.123
ASSI {  4771}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 4771 weight  0.11000E+01 volume 75.96070 ppm1 7.897 ppm2 0.886
ASSI {  4781}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 4781 weight  0.11000E+01 volume 200.53680 ppm1 7.897 ppm2 2.060
ASSI {  4801}
  (( segid "PTBd" and resid 35  and name HN  ))
  (( segid "PTBd" and resid 36  and name HN  ))
     6 6 0 peak 4801 weight  0.11000E+01 volume 67.07680 ppm1 7.270 ppm2 7.740
ASSI {  4811}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 63  and name HN  ))
     6 6 0 peak 4811 weight  0.11000E+01 volume 33.65390 ppm1 9.491 ppm2 8.864
ASSI {  4821}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 61  and name HA  ))
     6 6 0 peak 4821 weight  0.11000E+01 volume 598.38348 ppm1 9.491 ppm2 4.276
ASSI {  4831}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 62  and name HB1  ))
     6 6 0 peak 4831 weight  0.11000E+01 volume 114.84290 ppm1 9.491 ppm2 3.984
ASSI {  4841}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 62  and name HB2  ))
     6 6 0 peak 4841 weight  0.11000E+01 volume 133.28520 ppm1 9.491 ppm2 3.887
ASSI {  4851}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 61  and name HB1  ))
     6 6 0 peak 4851 weight  0.11000E+01 volume 83.23080 ppm1 9.491 ppm2 2.812
ASSI {  4861}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "FGFR" and resid 216  and name HB1  ))
     6 6 0 peak 4861 weight  0.11000E+01 volume 38.61410 ppm1 9.491 ppm2 1.714
ASSI {  4871}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "FGFR" and resid 216  and name HB2  ))
     6 6 0 peak 4871 weight  0.11000E+01 volume 23.12910 ppm1 9.491 ppm2 1.421
ASSI {  4881}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 61  and name HB2  ))
     6 6 0 peak 4881 weight  0.11000E+01 volume 67.57010 ppm1 9.491 ppm2 2.538
ASSI {  4891}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 65  and name HN  ))
     6 6 0 peak 4891 weight  0.11000E+01 volume 107.26390 ppm1 9.255 ppm2 9.597
ASSI {  4901}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 4901 weight  0.11000E+01 volume 74.02510 ppm1 9.255 ppm2 7.107
ASSI {  4911}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 81  and name HA  ))
     6 6 0 peak 4911 weight  0.11000E+01 volume 65.72980 ppm1 9.255 ppm2 5.181
ASSI {  4921}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 4921 weight  0.11000E+01 volume 109.56160 ppm1 9.255 ppm2 2.861
ASSI {  4931}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 4931 weight  0.11000E+01 volume 103.03300 ppm1 9.255 ppm2 1.148
ASSI {  4961}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 104  and name HN  ))
     6 6 0 peak 4961 weight  0.11000E+01 volume 47.82740 ppm1 8.052 ppm2 8.401
ASSI {  4971}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 105  and name HA  ))
     6 6 0 peak 4971 weight  0.11000E+01 volume 54.20250 ppm1 8.052 ppm2 4.959
ASSI {  4981}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 104  and name HA  ))
     6 6 0 peak 4981 weight  0.11000E+01 volume 1257.42957 ppm1 8.052 ppm2 4.643
ASSI {  4991}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 4991 weight  0.11000E+01 volume 46.39460 ppm1 8.052 ppm2 2.742
ASSI {  5001}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 105  and name HG2#  ))
     6 6 0 peak 5001 weight  0.11000E+01 volume 804.38239 ppm1 8.052 ppm2 0.859
ASSI {  5011}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 5011 weight  0.11000E+01 volume 85.94210 ppm1 8.052 ppm2 1.912
ASSI {  5021}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB1  ))
     6 6 0 peak 5021 weight  0.11000E+01 volume 55.84980 ppm1 9.255 ppm2 3.033
ASSI {  5031}
  (( segid "PTBd" and resid 82  and name HN  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 5031 weight  0.11000E+01 volume 167.25490 ppm1 9.255 ppm2 5.424
ASSI {  5041}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 16  and name HA  ))
     6 6 0 peak 5041 weight  0.11000E+01 volume 65.61550 ppm1 8.613 ppm2 5.594
ASSI {  5051}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 5051 weight  0.11000E+01 volume 633.01941 ppm1 8.613 ppm2 4.693
ASSI {  5061}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 15  and name HB2  ))
     6 6 0 peak 5061 weight  0.11000E+01 volume 86.86030 ppm1 8.613 ppm2 1.860
ASSI {  5071}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 5071 weight  0.11000E+01 volume 173.07651 ppm1 8.613 ppm2 0.786
ASSI {  5081}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 5081 weight  0.11000E+01 volume 278.19891 ppm1 8.613 ppm2 0.616
ASSI {  5091}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 30  and name HA  ))
     6 6 0 peak 5091 weight  0.11000E+01 volume 86.53700 ppm1 8.613 ppm2 5.008
ASSI {  5101}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 15  and name HB1  ))
     6 6 0 peak 5101 weight  0.11000E+01 volume 80.63680 ppm1 8.613 ppm2 1.996
ASSI {  5111}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 13  and name HA  ))
     6 6 0 peak 5111 weight  0.11000E+01 volume 110.18550 ppm1 6.914 ppm2 5.155
ASSI {  5121}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 12  and name HB2  ))
     6 6 0 peak 5121 weight  0.11000E+01 volume 75.56280 ppm1 6.914 ppm2 2.727
ASSI {  5131}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 13  and name HD2  ))
     6 6 0 peak 5131 weight  0.11000E+01 volume 116.97210 ppm1 6.914 ppm2 1.370
ASSI {  5141}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 13  and name HG1  ))
     6 6 0 peak 5141 weight  0.11000E+01 volume 213.55499 ppm1 6.914 ppm2 1.287
ASSI {  5151}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 87  and name HN  ))
     6 6 0 peak 5151 weight  0.11000E+01 volume 82.13810 ppm1 7.929 ppm2 7.181
ASSI {  5161}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 86  and name HB1  ))
     6 6 0 peak 5161 weight  0.11000E+01 volume 66.87040 ppm1 7.929 ppm2 2.763
ASSI {  5171}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 86  and name HG1  ))
     6 6 0 peak 5171 weight  0.11000E+01 volume 101.54930 ppm1 7.929 ppm2 1.787
ASSI {  5181}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 85  and name HB#  ))
     6 6 0 peak 5181 weight  0.11000E+01 volume 149.26590 ppm1 7.929 ppm2 1.639
ASSI {  5191}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 5191 weight  0.11000E+01 volume 85.15820 ppm1 7.929 ppm2 4.985
ASSI {  5201}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 102  and name HN  ))
     6 6 0 peak 5201 weight  0.11000E+01 volume 130.76961 ppm1 7.709 ppm2 7.988
ASSI {  5231}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 101  and name HB1  ))
     6 6 0 peak 5231 weight  0.11000E+01 volume 57.93420 ppm1 7.709 ppm2 2.980
ASSI {  5251}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 100  and name HN  ))
     6 6 0 peak 5251 weight  0.11000E+01 volume 110.70340 ppm1 7.709 ppm2 8.572
ASSI {  5261}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 100  and name HA  ))
     6 6 0 peak 5261 weight  0.11000E+01 volume 64.53820 ppm1 7.709 ppm2 4.521
ASSI {  5271}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 5271 weight  0.11000E+01 volume 67.80240 ppm1 7.709 ppm2 2.839
ASSI {  5281}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 93  and name HN  ))
     6 6 0 peak 5281 weight  0.11000E+01 volume 146.93330 ppm1 8.621 ppm2 8.328
ASSI {  5291}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 91  and name HN  ))
     6 6 0 peak 5291 weight  0.11000E+01 volume 129.14610 ppm1 8.621 ppm2 8.059
ASSI {  5301}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 89  and name HN  ))
     6 6 0 peak 5301 weight  0.11000E+01 volume 52.36420 ppm1 8.621 ppm2 7.547
ASSI {  5311}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 91  and name HD1  ))
     6 6 0 peak 5311 weight  0.11000E+01 volume 120.97800 ppm1 8.621 ppm2 7.352
ASSI {  5321}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 5321 weight  0.11000E+01 volume 136.70239 ppm1 8.621 ppm2 4.203
ASSI {  5331}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 5331 weight  0.11000E+01 volume 85.37600 ppm1 8.621 ppm2 3.960
ASSI {  5341}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 91  and name HA  ))
     6 6 0 peak 5341 weight  0.11000E+01 volume 57.98610 ppm1 8.621 ppm2 3.813
ASSI {  5351}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 91  and name HB1  ))
     6 6 0 peak 5351 weight  0.11000E+01 volume 116.53260 ppm1 8.621 ppm2 3.105
ASSI {  5361}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 91  and name HB2  ))
     6 6 0 peak 5361 weight  0.11000E+01 volume 107.17820 ppm1 8.621 ppm2 2.982
ASSI {  5371}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 5371 weight  0.11000E+01 volume 76.77590 ppm1 8.621 ppm2 2.642
ASSI {  5411}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 90  and name HN  ))
     6 6 0 peak 5411 weight  0.11000E+01 volume 25.65540 ppm1 8.621 ppm2 7.889
ASSI {  5421}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 92  and name HD22  ))
     6 6 0 peak 5421 weight  0.11000E+01 volume 52.59350 ppm1 8.621 ppm2 6.985
ASSI {  5431}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 96  and name HN  ))
     6 6 0 peak 5431 weight  0.11000E+01 volume 119.55520 ppm1 8.132 ppm2 7.425
ASSI {  5441}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 5441 weight  0.11000E+01 volume 70.27920 ppm1 8.132 ppm2 4.203
ASSI {  5451}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 95  and name HA  ))
     6 6 0 peak 5451 weight  0.11000E+01 volume 55.69880 ppm1 8.132 ppm2 3.910
ASSI {  5461}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 5461 weight  0.11000E+01 volume 258.55270 ppm1 8.132 ppm2 2.015
ASSI {  5471}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 5471 weight  0.11000E+01 volume 155.04491 ppm1 8.132 ppm2 1.698
ASSI {  5481}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 94  and name HB1  ))
     6 6 0 peak 5481 weight  0.11000E+01 volume 104.41770 ppm1 8.132 ppm2 1.247
ASSI {  5491}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 94  and name HB2  ))
     6 6 0 peak 5491 weight  0.11000E+01 volume 62.31220 ppm1 8.132 ppm2 0.957
ASSI {  5511}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 26  and name HN  ))
     6 6 0 peak 5511 weight  0.11000E+01 volume 28.51780 ppm1 7.425 ppm2 8.792
ASSI {  5521}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 24  and name HN  ))
     6 6 0 peak 5521 weight  0.11000E+01 volume 61.35050 ppm1 7.425 ppm2 8.672
ASSI {  5531}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 5531 weight  0.11000E+01 volume 263.39960 ppm1 7.425 ppm2 5.546
ASSI {  5541}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 5541 weight  0.11000E+01 volume 67.06920 ppm1 7.425 ppm2 2.837
ASSI {  5551}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 5551 weight  0.11000E+01 volume 89.95500 ppm1 7.425 ppm2 2.128
ASSI {  5561}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 5561 weight  0.11000E+01 volume 112.76920 ppm1 7.425 ppm2 1.884
ASSI {  5571}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 5571 weight  0.11000E+01 volume 55.93260 ppm1 7.425 ppm2 1.471
ASSI {  5581}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 5581 weight  0.11000E+01 volume 165.26500 ppm1 7.425 ppm2 0.810
ASSI {  5591}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 5591 weight  0.11000E+01 volume 106.98960 ppm1 7.424 ppm2 0.640
ASSI {  5601}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 23  and name HN  ))
     6 6 0 peak 5601 weight  0.11000E+01 volume 47.41780 ppm1 7.425 ppm2 7.938
ASSI {  5611}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 5611 weight  0.11000E+01 volume 160.56900 ppm1 7.425 ppm2 4.447
ASSI {  5621}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 82  and name HD1  ))
     6 6 0 peak 5621 weight  0.11000E+01 volume 48.12200 ppm1 7.473 ppm2 7.107
ASSI {  5641}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 82  and name HA  ))
     6 6 0 peak 5641 weight  0.11000E+01 volume 68.99320 ppm1 7.474 ppm2 5.424
ASSI {  5651}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 18  and name HA  ))
     6 6 0 peak 5651 weight  0.11000E+01 volume 176.90950 ppm1 7.473 ppm2 4.544
ASSI {  5661}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 81  and name HB#  ))
     6 6 0 peak 5661 weight  0.11000E+01 volume 56.70220 ppm1 7.474 ppm2 1.149
ASSI {  5671}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 5671 weight  0.11000E+01 volume 39.90420 ppm1 7.474 ppm2 0.809
ASSI {  5681}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG2#  ))
     6 6 0 peak 5681 weight  0.11000E+01 volume 191.02890 ppm1 7.474 ppm2 0.640
ASSI {  5691}
  (( segid "PTBd" and resid 34  and name HN  ))
  (( segid "PTBd" and resid 34  and name HG2#  ))
     6 6 0 peak 5691 weight  0.11000E+01 volume 106.86070 ppm1 8.596 ppm2 1.201
ASSI {  5701}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 89  and name HN  ))
     6 6 0 peak 5701 weight  0.11000E+01 volume 89.88470 ppm1 8.417 ppm2 7.547
ASSI {  5711}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 87  and name HN  ))
     6 6 0 peak 5711 weight  0.11000E+01 volume 121.69180 ppm1 8.417 ppm2 7.180
ASSI {  5721}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 5721 weight  0.11000E+01 volume 40.61930 ppm1 8.417 ppm2 6.449
ASSI {  5731}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 86  and name HA  ))
     6 6 0 peak 5731 weight  0.11000E+01 volume 22.26720 ppm1 8.417 ppm2 4.986
ASSI {  5741}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 87  and name HB#  ))
     6 6 0 peak 5741 weight  0.11000E+01 volume 862.40637 ppm1 8.417 ppm2 1.809
ASSI {  5751}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 5751 weight  0.11000E+01 volume 29.14420 ppm1 8.417 ppm2 6.326
ASSI {  5781}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 24  and name HN  ))
     6 6 0 peak 5781 weight  0.11000E+01 volume 62.96900 ppm1 7.807 ppm2 8.669
ASSI {  5791}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 23  and name HN  ))
     6 6 0 peak 5791 weight  0.11000E+01 volume 422.94580 ppm1 7.807 ppm2 7.937
ASSI {  5801}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 22  and name HA  ))
     6 6 0 peak 5801 weight  0.11000E+01 volume 116.78540 ppm1 7.807 ppm2 4.747
ASSI {  5811}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 21  and name HA  ))
     6 6 0 peak 5811 weight  0.11000E+01 volume 114.53640 ppm1 7.807 ppm2 4.129
ASSI {  5821}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 23  and name HA2  ))
     6 6 0 peak 5821 weight  0.11000E+01 volume 41.47150 ppm1 7.807 ppm2 3.373
ASSI {  5831}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 22  and name HB1  ))
     6 6 0 peak 5831 weight  0.11000E+01 volume 263.61481 ppm1 7.807 ppm2 2.835
ASSI {  5841}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 21  and name HB1  ))
     6 6 0 peak 5841 weight  0.11000E+01 volume 92.85930 ppm1 7.807 ppm2 2.615
ASSI {  5851}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 21  and name HB2  ))
     6 6 0 peak 5851 weight  0.11000E+01 volume 222.08640 ppm1 7.807 ppm2 2.446
ASSI {  5861}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 5861 weight  0.11000E+01 volume 83.03570 ppm1 7.807 ppm2 0.687
ASSI {  5881}
  (( segid "PTBd" and resid 34  and name HN  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 5881 weight  0.11000E+01 volume 35.52360 ppm1 8.596 ppm2 0.662
ASSI {  5891}
  (( segid "PTBd" and resid 34  and name HN  ))
  (( segid "PTBd" and resid 33  and name HA  ))
     6 6 0 peak 5891 weight  0.11000E+01 volume 53.71530 ppm1 8.596 ppm2 5.008
ASSI {  5901}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 5901 weight  0.11000E+01 volume 57.22210 ppm1 7.807 ppm2 2.130
ASSI {  5911}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 53  and name HN  ))
     6 6 0 peak 5911 weight  0.11000E+01 volume 98.34660 ppm1 8.491 ppm2 9.609
ASSI {  5921}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 54  and name HB1  ))
     6 6 0 peak 5921 weight  0.11000E+01 volume 27.24580 ppm1 8.491 ppm2 3.275
ASSI {  5951}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 54  and name HB2  ))
     6 6 0 peak 5951 weight  0.11000E+01 volume 83.89900 ppm1 8.491 ppm2 2.964
ASSI {  5981}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 55  and name HN  ))
     6 6 0 peak 5981 weight  0.11000E+01 volume 123.24370 ppm1 8.491 ppm2 7.621
ASSI {  5991}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 53  and name HA  ))
     6 6 0 peak 5991 weight  0.11000E+01 volume 94.33610 ppm1 8.491 ppm2 4.325
ASSI {  6001}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 56  and name HN  ))
     6 6 0 peak 6001 weight  0.11000E+01 volume 89.16000 ppm1 7.815 ppm2 9.255
ASSI {  6011}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 68  and name HN  ))
     6 6 0 peak 6011 weight  0.11000E+01 volume 57.46510 ppm1 7.815 ppm2 8.768
ASSI {  6021}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 6021 weight  0.11000E+01 volume 46.47660 ppm1 7.815 ppm2 5.325
ASSI {  6041}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 6041 weight  0.11000E+01 volume 60.56730 ppm1 7.815 ppm2 1.982
ASSI {  6051}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 6051 weight  0.11000E+01 volume 45.47840 ppm1 7.815 ppm2 1.617
ASSI {  6061}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 6061 weight  0.11000E+01 volume 56.79120 ppm1 7.815 ppm2 1.542
ASSI {  6071}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "FGFR" and resid 221  and name HG2#  ))
     6 6 0 peak 6071 weight  0.11000E+01 volume 50.81550 ppm1 7.815 ppm2 0.834
ASSI {  6081}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 6081 weight  0.11000E+01 volume 90.11800 ppm1 7.814 ppm2 5.294
ASSI {  6091}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6091 weight  0.11000E+01 volume 113.86120 ppm1 7.815 ppm2 1.808
ASSI {  6101}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 55  and name HD2#  ))
     6 6 0 peak 6101 weight  0.11000E+01 volume 54.10210 ppm1 7.815 ppm2 0.617
ASSI {  6111}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 53  and name HD1#  ))
     6 6 0 peak 6111 weight  0.11000E+01 volume 70.22140 ppm1 8.491 ppm2 0.933
ASSI {  6121}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 6121 weight  0.11000E+01 volume 101.02740 ppm1 8.410 ppm2 5.131
ASSI {  6131}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 47  and name HB1  ))
     6 6 0 peak 6131 weight  0.11000E+01 volume 88.59190 ppm1 8.410 ppm2 3.618
ASSI {  6141}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 47  and name HB2  ))
     6 6 0 peak 6141 weight  0.11000E+01 volume 74.30030 ppm1 8.410 ppm2 3.349
ASSI {  6151}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 46  and name HB1  ))
     6 6 0 peak 6151 weight  0.11000E+01 volume 219.54790 ppm1 8.410 ppm2 2.666
ASSI {  6161}
  (( segid "PTBd" and resid 54  and name HN  ))
  (( segid "PTBd" and resid 54  and name HA  ))
     6 6 0 peak 6161 weight  0.11000E+01 volume 379.85480 ppm1 8.491 ppm2 5.082
ASSI {  6171}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 6171 weight  0.11000E+01 volume 76.17420 ppm1 8.531 ppm2 3.034
ASSI {  6181}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB2  ))
     6 6 0 peak 6181 weight  0.11000E+01 volume 82.51680 ppm1 8.531 ppm2 2.932
ASSI {  6191}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 42  and name HG2#  ))
     6 6 0 peak 6191 weight  0.11000E+01 volume 148.92821 ppm1 8.531 ppm2 1.250
ASSI {  6201}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 41  and name HD1  ))
     6 6 0 peak 6201 weight  0.11000E+01 volume 58.80760 ppm1 8.531 ppm2 7.035
ASSI {  6211}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "FGFR" and resid 219  and name HN  ))
     6 6 0 peak 6211 weight  0.11000E+01 volume 98.85260 ppm1 8.418 ppm2 8.963
ASSI {  6231}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 58  and name HA  ))
     6 6 0 peak 6231 weight  0.11000E+01 volume 99.09170 ppm1 8.417 ppm2 5.478
ASSI {  6241}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 57  and name HA  ))
     6 6 0 peak 6241 weight  0.11000E+01 volume 572.94843 ppm1 8.418 ppm2 5.324
ASSI {  6251}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 57  and name HB1  ))
     6 6 0 peak 6251 weight  0.11000E+01 volume 63.93750 ppm1 8.418 ppm2 1.981
ASSI {  6261}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 57  and name HB2  ))
     6 6 0 peak 6261 weight  0.11000E+01 volume 323.01959 ppm1 8.418 ppm2 1.808
ASSI {  6271}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 57  and name HG2  ))
     6 6 0 peak 6271 weight  0.11000E+01 volume 58.46060 ppm1 8.418 ppm2 1.545
ASSI {  6281}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 6281 weight  0.11000E+01 volume 32.19680 ppm1 8.418 ppm2 0.738
ASSI {  6291}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG2#  ))
     6 6 0 peak 6291 weight  0.11000E+01 volume 79.75510 ppm1 8.418 ppm2 0.259
ASSI {  6301}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 58  and name HD1  ))
     6 6 0 peak 6301 weight  0.11000E+01 volume 65.79220 ppm1 8.418 ppm2 6.767
ASSI {  6311}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "PTBd" and resid 57  and name HG1  ))
     6 6 0 peak 6311 weight  0.11000E+01 volume 42.31170 ppm1 8.418 ppm2 1.617
ASSI {  6331}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HB2  ))
     6 6 0 peak 6331 weight  0.11000E+01 volume 95.81860 ppm1 8.360 ppm2 1.784
ASSI {  6341}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HG1  ))
     6 6 0 peak 6341 weight  0.11000E+01 volume 57.09580 ppm1 8.360 ppm2 1.664
ASSI {  6351}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HG2  ))
     6 6 0 peak 6351 weight  0.11000E+01 volume 73.74670 ppm1 8.360 ppm2 1.562
ASSI {  6361}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HN  ))
     6 6 0 peak 6361 weight  0.11000E+01 volume 26.39200 ppm1 8.360 ppm2 8.672
ASSI {  6371}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 76  and name HN  ))
     6 6 0 peak 6371 weight  0.11000E+01 volume 27.67560 ppm1 8.360 ppm2 7.816
ASSI {  6381}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 73  and name HA  ))
     6 6 0 peak 6381 weight  0.11000E+01 volume 25.35340 ppm1 8.360 ppm2 4.862
ASSI {  6391}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HA  ))
     6 6 0 peak 6391 weight  0.11000E+01 volume 318.13599 ppm1 8.360 ppm2 4.544
ASSI {  6401}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 73  and name HB1  ))
     6 6 0 peak 6401 weight  0.11000E+01 volume 148.63901 ppm1 8.360 ppm2 4.009
ASSI {  6411}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 73  and name HB2  ))
     6 6 0 peak 6411 weight  0.11000E+01 volume 69.20800 ppm1 8.360 ppm2 3.153
ASSI {  6421}
  (( segid "PTBd" and resid 73  and name HN  ))
  (( segid "PTBd" and resid 72  and name HB1  ))
     6 6 0 peak 6421 weight  0.11000E+01 volume 89.46430 ppm1 8.360 ppm2 1.885
ASSI {  6431}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "FGFR" and resid 217  and name HN  ))
     6 6 0 peak 6431 weight  0.11000E+01 volume 70.56080 ppm1 8.409 ppm2 7.012
ASSI {  6441}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "FGFR" and resid 215  and name HG  ))
     6 6 0 peak 6441 weight  0.11000E+01 volume 63.71530 ppm1 8.408 ppm2 1.203
ASSI {  6451}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 91  and name HZ  ))
     6 6 0 peak 6451 weight  0.11000E+01 volume 69.59190 ppm1 8.409 ppm2 7.376
ASSI {  6461}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 6461 weight  0.11000E+01 volume 100.83750 ppm1 8.409 ppm2 6.449
ASSI {  6471}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 60  and name HE1  ))
     6 6 0 peak 6471 weight  0.11000E+01 volume 48.71840 ppm1 8.409 ppm2 6.328
ASSI {  6481}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 60  and name HA  ))
     6 6 0 peak 6481 weight  0.11000E+01 volume 31.54210 ppm1 8.409 ppm2 5.764
ASSI {  6491}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 6491 weight  0.11000E+01 volume 77.38740 ppm1 8.408 ppm2 0.615
ASSI {  6501}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 60  and name HB2  ))
     6 6 0 peak 6501 weight  0.11000E+01 volume 36.85230 ppm1 8.409 ppm2 2.943
ASSI {  6511}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 21  and name HA  ))
     6 6 0 peak 6511 weight  0.11000E+01 volume 127.41790 ppm1 7.962 ppm2 4.130
ASSI {  6521}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 21  and name HB1  ))
     6 6 0 peak 6521 weight  0.11000E+01 volume 89.63060 ppm1 7.962 ppm2 2.614
ASSI {  6531}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 6531 weight  0.11000E+01 volume 93.04140 ppm1 7.962 ppm2 0.688
ASSI {  6541}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 22  and name HN  ))
     6 6 0 peak 6541 weight  0.11000E+01 volume 105.84190 ppm1 7.962 ppm2 7.816
ASSI {  6551}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 20  and name HA  ))
     6 6 0 peak 6551 weight  0.11000E+01 volume 106.14430 ppm1 7.962 ppm2 4.447
ASSI {  6561}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 20  and name HB1  ))
     6 6 0 peak 6561 weight  0.11000E+01 volume 148.67270 ppm1 7.962 ppm2 2.837
ASSI {  6571}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 21  and name HB2  ))
     6 6 0 peak 6571 weight  0.11000E+01 volume 108.44090 ppm1 7.962 ppm2 2.447
ASSI {  6581}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 20  and name HB2  ))
     6 6 0 peak 6581 weight  0.11000E+01 volume 68.19370 ppm1 7.962 ppm2 2.129
ASSI {  6611}
  (( segid "PTBd" and resid 12  and name HN  ))
  (( segid "PTBd" and resid 13  and name HN  ))
     6 6 0 peak 6611 weight  0.11000E+01 volume 97.36260 ppm1 8.505 ppm2 6.916
ASSI {  6621}
  (( segid "PTBd" and resid 12  and name HN  ))
  (( segid "PTBd" and resid 12  and name HB2  ))
     6 6 0 peak 6621 weight  0.11000E+01 volume 77.90410 ppm1 8.505 ppm2 2.740
ASSI {  6631}
  (( segid "PTBd" and resid 71  and name HN  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 6631 weight  0.11000E+01 volume 59.83020 ppm1 8.710 ppm2 4.081
ASSI {  6641}
  (( segid "PTBd" and resid 71  and name HN  ))
  (( segid "PTBd" and resid 71  and name HB1  ))
     6 6 0 peak 6641 weight  0.11000E+01 volume 188.77220 ppm1 8.710 ppm2 1.923
ASSI {  6651}
  (( segid "PTBd" and resid 71  and name HN  ))
  (( segid "PTBd" and resid 70  and name HA1  ))
     6 6 0 peak 6651 weight  0.11000E+01 volume 116.44950 ppm1 8.710 ppm2 4.446
ASSI {  6661}
  (( segid "PTBd" and resid 71  and name HN  ))
  (( segid "PTBd" and resid 71  and name HG2  ))
     6 6 0 peak 6661 weight  0.11000E+01 volume 145.76601 ppm1 8.710 ppm2 1.722
ASSI {  6671}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 77  and name HN  ))
     6 6 0 peak 6671 weight  0.11000E+01 volume 44.72420 ppm1 7.823 ppm2 8.670
ASSI {  6681}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 76  and name HA1  ))
     6 6 0 peak 6681 weight  0.11000E+01 volume 117.51400 ppm1 7.823 ppm2 4.373
ASSI {  6691}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 75  and name HA  ))
     6 6 0 peak 6691 weight  0.11000E+01 volume 84.92450 ppm1 7.823 ppm2 4.154
ASSI {  6701}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 76  and name HA2  ))
     6 6 0 peak 6701 weight  0.11000E+01 volume 365.13641 ppm1 7.823 ppm2 4.031
ASSI {  6711}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 6711 weight  0.11000E+01 volume 84.31040 ppm1 7.823 ppm2 1.079
ASSI {  6721}
  (( segid "PTBd" and resid 76  and name HN  ))
  (( segid "PTBd" and resid 75  and name HN  ))
     6 6 0 peak 6721 weight  0.11000E+01 volume 159.19760 ppm1 7.823 ppm2 8.401
ASSI {  6731}
  (( segid "PTBd" and resid 104  and name HD21  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 6731 weight  0.11000E+01 volume 82.86810 ppm1 6.844 ppm2 2.742
ASSI {  6751}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 69  and name HN  ))
     6 6 0 peak 6751 weight  0.11000E+01 volume 54.91330 ppm1 8.076 ppm2 9.866
ASSI {  6761}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 77  and name HA  ))
     6 6 0 peak 6761 weight  0.11000E+01 volume 653.67529 ppm1 8.076 ppm2 4.201
ASSI {  6771}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 78  and name HA1  ))
     6 6 0 peak 6771 weight  0.11000E+01 volume 116.30490 ppm1 8.076 ppm2 3.886
ASSI {  6791}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 78  and name HA2  ))
     6 6 0 peak 6791 weight  0.11000E+01 volume 94.37760 ppm1 8.076 ppm2 3.375
ASSI {  6801}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 6801 weight  0.11000E+01 volume 106.55510 ppm1 8.076 ppm2 2.495
ASSI {  6821}
  (( segid "PTBd" and resid 78  and name HN  ))
  (( segid "PTBd" and resid 77  and name HB1  ))
     6 6 0 peak 6821 weight  0.11000E+01 volume 149.40961 ppm1 8.076 ppm2 1.909
ASSI {  6831}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 101  and name HN  ))
     6 6 0 peak 6831 weight  0.11000E+01 volume 171.09019 ppm1 7.994 ppm2 7.695
ASSI {  6841}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 100  and name HA  ))
     6 6 0 peak 6841 weight  0.11000E+01 volume 38.48160 ppm1 7.994 ppm2 4.520
ASSI {  6851}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 102  and name HB1  ))
     6 6 0 peak 6851 weight  0.11000E+01 volume 1028.20837 ppm1 7.994 ppm2 4.081
ASSI {  6861}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 101  and name HB1  ))
     6 6 0 peak 6861 weight  0.11000E+01 volume 85.81830 ppm1 7.994 ppm2 2.987
ASSI {  6881}
  (( segid "PTBd" and resid 104  and name HD22  ))
  (( segid "PTBd" and resid 104  and name HB1  ))
     6 6 0 peak 6881 weight  0.11000E+01 volume 192.17920 ppm1 7.522 ppm2 2.742
ASSI {  6891}
  (( segid "PTBd" and resid 100  and name HD21  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 6891 weight  0.11000E+01 volume 117.28180 ppm1 7.556 ppm2 2.958
ASSI {  6901}
  (( segid "PTBd" and resid 100  and name HD21  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 6901 weight  0.11000E+01 volume 57.78360 ppm1 7.556 ppm2 2.837
ASSI {  6921}
  (( segid "PTBd" and resid 100  and name HD22  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 6921 weight  0.11000E+01 volume 36.96350 ppm1 6.993 ppm2 2.959
ASSI {  6931}
  (( segid "PTBd" and resid 100  and name HD22  ))
  (( segid "PTBd" and resid 100  and name HB2  ))
     6 6 0 peak 6931 weight  0.11000E+01 volume 41.66960 ppm1 6.993 ppm2 2.838
ASSI {  6941}
  (( segid "PTBd" and resid 77  and name HE21  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 6941 weight  0.11000E+01 volume 37.53880 ppm1 7.651 ppm2 2.493
ASSI {  6951}
  (( segid "PTBd" and resid 92  and name HD21  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 6951 weight  0.11000E+01 volume 129.06461 ppm1 7.548 ppm2 2.842
ASSI {  6971}
  (( segid "PTBd" and resid 99  and name HE21  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 6971 weight  0.11000E+01 volume 33.92520 ppm1 7.359 ppm2 2.491
ASSI {  6981}
  (( segid "PTBd" and resid 92  and name HD22  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 6981 weight  0.11000E+01 volume 58.82930 ppm1 7.013 ppm2 2.843
ASSI {  7001}
  (( segid "PTBd" and resid 92  and name HD22  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 7001 weight  0.11000E+01 volume 50.84000 ppm1 7.013 ppm2 2.760
ASSI {  7011}
  (( segid "PTBd" and resid 77  and name HE22  ))
  (( segid "PTBd" and resid 77  and name HG1  ))
     6 6 0 peak 7011 weight  0.11000E+01 volume 90.26900 ppm1 6.796 ppm2 2.495
ASSI {  7031}
  (( segid "PTBd" and resid 63  and name HD21  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 7031 weight  0.11000E+01 volume 68.05050 ppm1 7.522 ppm2 3.008
ASSI {  7041}
  (( segid "PTBd" and resid 63  and name HD22  ))
  (( segid "PTBd" and resid 63  and name HB1  ))
     6 6 0 peak 7041 weight  0.11000E+01 volume 65.02250 ppm1 6.797 ppm2 3.008
ASSI {  7051}
  (( segid "PTBd" and resid 63  and name HD22  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 7051 weight  0.11000E+01 volume 67.22530 ppm1 6.797 ppm2 2.828
ASSI {  7071}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 7071 weight  0.11000E+01 volume 51.31550 ppm1 8.922 ppm2 0.786
ASSI {  7081}
  (( segid "PTBd" and resid 95  and name HE21  ))
  (( segid "PTBd" and resid 95  and name HG2  ))
     6 6 0 peak 7081 weight  0.11000E+01 volume 82.34840 ppm1 7.025 ppm2 1.699
ASSI {  7091}
  (( segid "PTBd" and resid 95  and name HE21  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 7091 weight  0.11000E+01 volume 102.53790 ppm1 7.025 ppm2 2.014
ASSI {  7111}
  (( segid "PTBd" and resid 95  and name HE22  ))
  (( segid "PTBd" and resid 95  and name HG1  ))
     6 6 0 peak 7111 weight  0.11000E+01 volume 119.48870 ppm1 6.424 ppm2 2.014
ASSI {  7131}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 17  and name HA  ))
     6 6 0 peak 7131 weight  0.11000E+01 volume 75.28510 ppm1 8.923 ppm2 4.834
ASSI {  7141}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 16  and name HN  ))
     6 6 0 peak 7141 weight  0.11000E+01 volume 156.50710 ppm1 8.922 ppm2 8.622
ASSI {  7151}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 28  and name HA  ))
     6 6 0 peak 7151 weight  0.11000E+01 volume 308.59061 ppm1 8.922 ppm2 5.425
ASSI {  7161}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 29  and name HA1  ))
     6 6 0 peak 7161 weight  0.11000E+01 volume 157.94110 ppm1 8.922 ppm2 4.570
ASSI {  7171}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 29  and name HA2  ))
     6 6 0 peak 7171 weight  0.11000E+01 volume 11.06520 ppm1 8.922 ppm2 4.130
ASSI {  7181}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 16  and name HG2#  ))
     6 6 0 peak 7181 weight  0.11000E+01 volume 50.50230 ppm1 8.922 ppm2 0.615
ASSI {  7201}
  (( segid "PTBd" and resid 57  and name HE  ))
  (( segid "PTBd" and resid 57  and name HD1  ))
     6 6 0 peak 7201 weight  0.11000E+01 volume 65.02720 ppm1 7.571 ppm2 3.129
ASSI {  7211}
  (( segid "PTBd" and resid 57  and name HE  ))
  (( segid "PTBd" and resid 57  and name HD2  ))
     6 6 0 peak 7211 weight  0.11000E+01 volume 74.76060 ppm1 7.571 ppm2 3.007
ASSI {  7231}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 24  and name HN  ))
     6 6 0 peak 7231 weight  0.11000E+01 volume 70.36260 ppm1 7.938 ppm2 8.670
ASSI {  7241}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 20  and name HN  ))
     6 6 0 peak 7241 weight  0.11000E+01 volume 81.01080 ppm1 7.938 ppm2 7.425
ASSI {  7251}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 23  and name HA2  ))
     6 6 0 peak 7251 weight  0.11000E+01 volume 427.03711 ppm1 7.939 ppm2 3.375
ASSI {  7261}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 22  and name HB1  ))
     6 6 0 peak 7261 weight  0.11000E+01 volume 114.18400 ppm1 7.938 ppm2 2.837
ASSI {  7271}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 22  and name HB2  ))
     6 6 0 peak 7271 weight  0.11000E+01 volume 96.81340 ppm1 7.938 ppm2 2.422
ASSI {  7281}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 7281 weight  0.11000E+01 volume 104.75170 ppm1 7.938 ppm2 1.885
ASSI {  7291}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 23  and name HA1  ))
     6 6 0 peak 7291 weight  0.11000E+01 volume 706.92920 ppm1 7.939 ppm2 4.135
ASSI {  7301}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 7301 weight  0.11000E+01 volume 116.10140 ppm1 7.938 ppm2 0.811
ASSI {  7311}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HD1#  ))
     6 6 0 peak 7311 weight  0.11000E+01 volume 163.37241 ppm1 7.922 ppm2 0.639
ASSI {  7321}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 18  and name HN  ))
     6 6 0 peak 7321 weight  0.11000E+01 volume 23.64370 ppm1 7.922 ppm2 9.062
ASSI {  7331}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HN  ))
     6 6 0 peak 7331 weight  0.11000E+01 volume 63.25180 ppm1 7.922 ppm2 8.792
ASSI {  7341}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HA  ))
     6 6 0 peak 7341 weight  0.11000E+01 volume 125.21290 ppm1 7.922 ppm2 4.522
ASSI {  7381}
  (( segid "PTBd" and resid 70  and name HN  ))
  (( segid "PTBd" and resid 69  and name HA  ))
     6 6 0 peak 7381 weight  0.11000E+01 volume 90.72720 ppm1 8.792 ppm2 5.291
ASSI {  7391}
  (( segid "PTBd" and resid 70  and name HN  ))
  (( segid "PTBd" and resid 69  and name HB1  ))
     6 6 0 peak 7391 weight  0.11000E+01 volume 77.81360 ppm1 8.793 ppm2 4.937
ASSI {  7401}
  (( segid "PTBd" and resid 70  and name HN  ))
  (( segid "PTBd" and resid 70  and name HA1  ))
     6 6 0 peak 7401 weight  0.11000E+01 volume 116.56990 ppm1 8.792 ppm2 4.447
ASSI {  7411}
  (( segid "PTBd" and resid 70  and name HN  ))
  (( segid "PTBd" and resid 70  and name HA2  ))
     6 6 0 peak 7411 weight  0.11000E+01 volume 91.91600 ppm1 8.792 ppm2 4.077
ASSI {  7431}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 76  and name HN  ))
     6 6 0 peak 7431 weight  0.11000E+01 volume 95.99260 ppm1 8.410 ppm2 7.816
ASSI {  7441}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 75  and name HB  ))
     6 6 0 peak 7441 weight  0.11000E+01 volume 29.53560 ppm1 8.410 ppm2 4.471
ASSI {  7451}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 75  and name HA  ))
     6 6 0 peak 7451 weight  0.11000E+01 volume 92.15730 ppm1 8.410 ppm2 4.154
ASSI {  7461}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 74  and name HA  ))
     6 6 0 peak 7461 weight  0.11000E+01 volume 83.70530 ppm1 8.410 ppm2 4.056
ASSI {  7471}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 74  and name HG1  ))
     6 6 0 peak 7471 weight  0.11000E+01 volume 58.17110 ppm1 8.410 ppm2 2.324
ASSI {  7481}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 74  and name HB1  ))
     6 6 0 peak 7481 weight  0.11000E+01 volume 63.25840 ppm1 8.410 ppm2 2.153
ASSI {  7491}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 75  and name HG2#  ))
     6 6 0 peak 7491 weight  0.11000E+01 volume 98.99650 ppm1 8.410 ppm2 1.080
ASSI {  7501}
  (( segid "PTBd" and resid 75  and name HN  ))
  (( segid "PTBd" and resid 74  and name HB2  ))
     6 6 0 peak 7501 weight  0.11000E+01 volume 68.56890 ppm1 8.410 ppm2 1.933
ASSI {  7511}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 31  and name HA  ))
     6 6 0 peak 7511 weight  0.11000E+01 volume 286.08090 ppm1 10.143 ppm2 5.619
ASSI {  7521}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 32  and name HG1  ))
     6 6 0 peak 7521 weight  0.11000E+01 volume 94.93660 ppm1 10.143 ppm2 2.078
ASSI {  7531}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 39  and name HB  ))
     6 6 0 peak 7531 weight  0.11000E+01 volume 77.52220 ppm1 10.143 ppm2 1.639
ASSI {  7541}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 32  and name HB1  ))
     6 6 0 peak 7541 weight  0.11000E+01 volume 62.59660 ppm1 10.142 ppm2 2.224
ASSI {  7551}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 39  and name HD1#  ))
     6 6 0 peak 7551 weight  0.11000E+01 volume 54.93810 ppm1 10.143 ppm2 0.761
ASSI {  7561}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 7561 weight  0.11000E+01 volume 42.25570 ppm1 10.143 ppm2 0.662
ASSI {  7571}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 39  and name HN  ))
     6 6 0 peak 7571 weight  0.11000E+01 volume 28.53850 ppm1 10.143 ppm2 9.107
ASSI {  7581}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 32  and name HB2  ))
     6 6 0 peak 7581 weight  0.11000E+01 volume 72.64400 ppm1 10.143 ppm2 1.832
ASSI {  7591}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 16  and name HG1#  ))
     6 6 0 peak 7591 weight  0.11000E+01 volume 111.47620 ppm1 9.720 ppm2 0.616
ASSI {  7611}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 19  and name HG1#  ))
     6 6 0 peak 7611 weight  0.11000E+01 volume 27.41770 ppm1 9.849 ppm2 0.808
ASSI {  7621}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 7621 weight  0.11000E+01 volume 291.69089 ppm1 8.734 ppm2 2.062
ASSI {  7631}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 17  and name HG2#  ))
     6 6 0 peak 7631 weight  0.11000E+01 volume 24.13670 ppm1 8.922 ppm2 0.908
ASSI {  7641}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 18  and name HB2  ))
     6 6 0 peak 7641 weight  0.11000E+01 volume 43.93390 ppm1 7.922 ppm2 2.860
ASSI {  7651}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 22  and name HN  ))
     6 6 0 peak 7651 weight  0.11000E+01 volume 819.49323 ppm1 7.938 ppm2 7.817
ASSI {  7661}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 19  and name HB  ))
     6 6 0 peak 7661 weight  0.11000E+01 volume 38.71080 ppm1 7.474 ppm2 1.884
ASSI {  7671}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 89  and name HG2  ))
     6 6 0 peak 7671 weight  0.11000E+01 volume 68.96310 ppm1 7.547 ppm2 2.353
ASSI {  7681}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 88  and name HG2  ))
     6 6 0 peak 7681 weight  0.11000E+01 volume 127.85450 ppm1 7.547 ppm2 1.786
ASSI {  7691}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 101  and name HB2  ))
     6 6 0 peak 7691 weight  0.11000E+01 volume 196.99850 ppm1 7.709 ppm2 2.593
ASSI {  7701}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 7701 weight  0.11000E+01 volume 220.88280 ppm1 8.621 ppm2 2.843
ASSI {  7711}
  (( segid "PTBd" and resid 92  and name HN  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 7711 weight  0.11000E+01 volume 164.97501 ppm1 8.621 ppm2 2.758
ASSI {  7721}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 12  and name HA  ))
     6 6 0 peak 7721 weight  0.11000E+01 volume 97.78320 ppm1 6.914 ppm2 4.680
ASSI {  7731}
  (( segid "PTBd" and resid 58  and name HN  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 7731 weight  0.11000E+01 volume 32.92210 ppm1 8.418 ppm2 5.156
ASSI {  7741}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 88  and name HG1  ))
     6 6 0 peak 7741 weight  0.11000E+01 volume 123.65120 ppm1 8.417 ppm2 1.951
ASSI {  7751}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 46  and name HB2  ))
     6 6 0 peak 7751 weight  0.11000E+01 volume 82.49830 ppm1 8.410 ppm2 2.566
ASSI {  7761}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 47  and name HA  ))
     6 6 0 peak 7761 weight  0.11000E+01 volume 141.21831 ppm1 8.531 ppm2 5.131
ASSI {  7771}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 59  and name HA1  ))
     6 6 0 peak 7771 weight  0.11000E+01 volume 128.99910 ppm1 8.409 ppm2 4.693
ASSI {  7781}
  (( segid "PTBd" and resid 21  and name HN  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 7781 weight  0.11000E+01 volume 27.83450 ppm1 7.962 ppm2 0.567
ASSI {  7791}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 82  and name HB2  ))
     6 6 0 peak 7791 weight  0.11000E+01 volume 91.37980 ppm1 8.662 ppm2 2.863
ASSI {  7801}
  (( segid "PTBd" and resid 24  and name HN  ))
  (( segid "PTBd" and resid 23  and name HA2  ))
     6 6 0 peak 7801 weight  0.11000E+01 volume 73.37060 ppm1 8.670 ppm2 3.374
ASSI {  7811}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 98  and name HB1  ))
     6 6 0 peak 7811 weight  0.11000E+01 volume 80.49120 ppm1 8.482 ppm2 2.080
ASSI {  7821}
  (( segid "PTBd" and resid 25  and name HN  ))
  (( segid "PTBd" and resid 25  and name HG1  ))
     6 6 0 peak 7821 weight  0.11000E+01 volume 218.58099 ppm1 8.531 ppm2 2.584
ASSI {  7831}
  (( segid "PTBd" and resid 63  and name HN  ))
  (( segid "PTBd" and resid 63  and name HA  ))
     6 6 0 peak 7831 weight  0.11000E+01 volume 64.32960 ppm1 8.857 ppm2 5.179
ASSI {  7851}
  (( segid "PTBd" and resid 80  and name HN  ))
  (( segid "PTBd" and resid 79  and name HB  ))
     6 6 0 peak 7851 weight  0.11000E+01 volume 54.48410 ppm1 8.507 ppm2 1.180
ASSI {  7861}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 112  and name HB2  ))
     6 6 0 peak 7861 weight  0.11000E+01 volume 88.34020 ppm1 8.352 ppm2 1.885
ASSI {  7871}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 94  and name HN  ))
     6 6 0 peak 7871 weight  0.11000E+01 volume 146.99741 ppm1 8.336 ppm2 8.233
ASSI {  7881}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 92  and name HB1  ))
     6 6 0 peak 7881 weight  0.11000E+01 volume 73.30250 ppm1 8.336 ppm2 2.843
ASSI {  7891}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 7891 weight  0.11000E+01 volume 49.58020 ppm1 8.092 ppm2 0.518
ASSI {  7901}
  (( segid "PTBd" and resid 66  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 7901 weight  0.11000E+01 volume 35.13690 ppm1 8.092 ppm2 0.615
ASSI {  7911}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 119  and name HN  ))
     6 6 0 peak 7911 weight  0.11000E+01 volume 51.69900 ppm1 8.124 ppm2 8.426
ASSI {  7921}
  (( segid "PTBd" and resid 112  and name HN  ))
  (( segid "PTBd" and resid 111  and name HN  ))
     6 6 0 peak 7921 weight  0.11000E+01 volume 103.22390 ppm1 8.442 ppm2 8.157
ASSI {  7931}
  (( segid "PTBd" and resid 38  and name HN  ))
  (( segid "PTBd" and resid 38  and name HA  ))
     6 6 0 peak 7931 weight  0.11000E+01 volume 89.10950 ppm1 8.231 ppm2 4.885
ASSI {  7941}
  (( segid "PTBd" and resid 38  and name HN  ))
  (( segid "PTBd" and resid 38  and name HG  ))
     6 6 0 peak 7941 weight  0.11000E+01 volume 92.79990 ppm1 8.231 ppm2 1.497
ASSI {  7951}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 94  and name HD1#  ))
     6 6 0 peak 7951 weight  0.11000E+01 volume 60.22860 ppm1 8.222 ppm2 0.221
ASSI {  7961}
  (( segid "PTBd" and resid 40  and name HN  ))
  (( segid "PTBd" and resid 39  and name HA  ))
     6 6 0 peak 7961 weight  0.11000E+01 volume 112.67420 ppm1 9.320 ppm2 4.690
ASSI {  7981}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 101  and name HA  ))
     6 6 0 peak 7981 weight  0.11000E+01 volume 256.65320 ppm1 7.994 ppm2 4.767
ASSI {  7991}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 19  and name HA  ))
     6 6 0 peak 7991 weight  0.11000E+01 volume 85.92920 ppm1 7.474 ppm2 5.545
ASSI {  8001}
  (( segid "PTBd" and resid 51  and name HN  ))
  (( segid "PTBd" and resid 51  and name HA  ))
     6 6 0 peak 8001 weight  0.11000E+01 volume 30.97240 ppm1 9.028 ppm2 4.474
ASSI {  8011}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 59  and name HA2  ))
     6 6 0 peak 8011 weight  0.11000E+01 volume 48.85800 ppm1 8.955 ppm2 4.613
ASSI {  8021}
  (( segid "PTBd" and resid 59  and name HN  ))
  (( segid "PTBd" and resid 59  and name HA1  ))
     6 6 0 peak 8021 weight  0.11000E+01 volume 76.95060 ppm1 8.955 ppm2 4.693
ASSI {  8031}
  (( segid "PTBd" and resid 77  and name HN  ))
  (( segid "PTBd" and resid 76  and name HA2  ))
     6 6 0 peak 8031 weight  0.11000E+01 volume 164.88541 ppm1 8.670 ppm2 4.032
ASSI {  8041}
  (( segid "PTBd" and resid 90  and name HN  ))
  (( segid "PTBd" and resid 90  and name HD2#  ))
     6 6 0 peak 8041 weight  0.11000E+01 volume 19.81280 ppm1 7.889 ppm2 -0.583
ASSI {  8051}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 87  and name HA  ))
     6 6 0 peak 8051 weight  0.11000E+01 volume 19.76650 ppm1 8.417 ppm2 3.593
ASSI {  8061}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 8061 weight  0.11000E+01 volume 51.47370 ppm1 8.556 ppm2 2.402
ASSI {  8071}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 8071 weight  0.11000E+01 volume 122.39230 ppm1 8.393 ppm2 0.862
ASSI {  8081}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 62  and name HA  ))
     6 6 0 peak 8081 weight  0.11000E+01 volume 425.57471 ppm1 9.491 ppm2 4.254
ASSI {  8091}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 96  and name HA  ))
     6 6 0 peak 8091 weight  0.11000E+01 volume 151.65491 ppm1 7.433 ppm2 3.933
ASSI {  8101}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 56  and name HA  ))
     6 6 0 peak 8101 weight  0.11000E+01 volume 63.61030 ppm1 7.815 ppm2 4.716
ASSI {  8111}
  (( segid "PTBd" and resid 91  and name HN  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 8111 weight  0.11000E+01 volume 63.33620 ppm1 8.051 ppm2 3.008
ASSI {  8121}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 92  and name HA  ))
     6 6 0 peak 8121 weight  0.11000E+01 volume 245.79221 ppm1 8.336 ppm2 4.203
ASSI {  8131}
  (( segid "PTBd" and resid 13  and name HN  ))
  (( segid "PTBd" and resid 12  and name HN  ))
     6 6 0 peak 8131 weight  0.11000E+01 volume 156.36720 ppm1 6.913 ppm2 8.498
ASSI {  8141}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 67  and name HB2  ))
     6 6 0 peak 8141 weight  0.11000E+01 volume 11.35070 ppm1 8.035 ppm2 2.932
ASSI {  8151}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 67  and name HA  ))
     6 6 0 peak 8151 weight  0.11000E+01 volume 244.49541 ppm1 8.035 ppm2 5.325
ASSI {  8161}
  (( segid "PTBd" and resid 122  and name HN  ))
  (( segid "PTBd" and resid 122  and name HA  ))
     6 6 0 peak 8161 weight  0.11000E+01 volume 12.94420 ppm1 7.814 ppm2 4.231
ASSI {  8171}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 71  and name HA  ))
     6 6 0 peak 8171 weight  0.11000E+01 volume 101.03190 ppm1 8.677 ppm2 4.081
ASSI {  8181}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 101  and name HA  ))
     6 6 0 peak 8181 weight  0.11000E+01 volume 186.76640 ppm1 7.709 ppm2 4.767
ASSI {  8191}
  (( segid "PTBd" and resid 49  and name HN  ))
  (( segid "PTBd" and resid 49  and name HB1  ))
     6 6 0 peak 8191 weight  0.11000E+01 volume 165.46420 ppm1 7.515 ppm2 1.406
ASSI {  8201}
  (( segid "PTBd" and resid 106  and name HN  ))
  (( segid "PTBd" and resid 105  and name HB  ))
     6 6 0 peak 8201 weight  0.11000E+01 volume 142.42480 ppm1 8.808 ppm2 1.913
ASSI {  8211}
  (( segid "PTBd" and resid 42  and name HN  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 8211 weight  0.11000E+01 volume 155.35921 ppm1 8.531 ppm2 5.111
ASSI {  8221}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 105  and name HG1#  ))
     6 6 0 peak 8221 weight  0.11000E+01 volume 506.89240 ppm1 8.053 ppm2 0.919
ASSI {  8231}
  (( segid "PTBd" and resid 67  and name HN  ))
  (( segid "PTBd" and resid 67  and name HB1  ))
     6 6 0 peak 8231 weight  0.11000E+01 volume 46.69930 ppm1 8.035 ppm2 3.261
ASSI {  8241}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 8241 weight  0.11000E+01 volume 40.86580 ppm1 8.190 ppm2 0.833
ASSI {  8251}
  (( segid "PTBd" and resid 64  and name HN  ))
  (( segid "PTBd" and resid 64  and name HG  ))
     6 6 0 peak 8251 weight  0.11000E+01 volume 80.66150 ppm1 8.190 ppm2 1.470
ASSI {  8261}
  (( segid "PTBd" and resid 65  and name HN  ))
  (( segid "PTBd" and resid 64  and name HD1#  ))
     6 6 0 peak 8261 weight  0.11000E+01 volume 47.82280 ppm1 9.597 ppm2 0.833
ASSI {  8271}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 33  and name HD1#  ))
     6 6 0 peak 8271 weight  0.11000E+01 volume 97.13570 ppm1 8.296 ppm2 0.663
ASSI {  8281}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 8281 weight  0.11000E+01 volume 53.48120 ppm1 8.800 ppm2 0.566
ASSI {  8291}
  (( segid "PTBd" and resid 26  and name HN  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 8291 weight  0.11000E+01 volume 169.06110 ppm1 8.800 ppm2 1.472
ASSI {  8301}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HB1  ))
     6 6 0 peak 8301 weight  0.11000E+01 volume 402.70529 ppm1 7.922 ppm2 1.540
ASSI {  8311}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HG  ))
     6 6 0 peak 8311 weight  0.11000E+01 volume 350.02151 ppm1 7.922 ppm2 1.472
ASSI {  8321}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 26  and name HD2#  ))
     6 6 0 peak 8321 weight  0.11000E+01 volume 138.20779 ppm1 7.922 ppm2 0.566
ASSI {  8331}
  (( segid "PTBd" and resid 79  and name HN  ))
  (( segid "PTBd" and resid 79  and name HG2#  ))
     6 6 0 peak 8331 weight  0.11000E+01 volume 142.81120 ppm1 7.783 ppm2 0.544
ASSI {  8341}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 30  and name HG12  ))
     6 6 0 peak 8341 weight  0.11000E+01 volume 24.91030 ppm1 9.719 ppm2 1.251
ASSI {  8351}
  (( segid "PTBd" and resid 31  and name HN  ))
  (( segid "PTBd" and resid 30  and name HG11  ))
     6 6 0 peak 8351 weight  0.11000E+01 volume 32.10230 ppm1 9.720 ppm2 1.493
ASSI {  8361}
  (( segid "PTBd" and resid 17  and name HN  ))
  (( segid "PTBd" and resid 17  and name HG11  ))
     6 6 0 peak 8361 weight  0.11000E+01 volume 79.33140 ppm1 8.662 ppm2 1.628
ASSI {  8371}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 103  and name HG2#  ))
     6 6 0 peak 8371 weight  0.11000E+01 volume 310.37421 ppm1 8.059 ppm2 0.863
ASSI {  8381}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 103  and name HD1#  ))
     6 6 0 peak 8381 weight  0.11000E+01 volume 143.27251 ppm1 8.393 ppm2 0.885
ASSI {  8391}
  (( segid "PTBd" and resid 29  and name HN  ))
  (( segid "PTBd" and resid 28  and name HB1  ))
     6 6 0 peak 8391 weight  0.11000E+01 volume 22.42680 ppm1 8.922 ppm2 4.050
ASSI {  8401}
  (( segid "PTBd" and resid 70  and name HN  ))
  (( segid "PTBd" and resid 69  and name HB2  ))
     6 6 0 peak 8401 weight  0.11000E+01 volume 113.91810 ppm1 8.793 ppm2 4.035
ASSI {  8411}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HG2  ))
     6 6 0 peak 8411 weight  0.11000E+01 volume 50.46420 ppm1 9.849 ppm2 1.495
ASSI {  8421}
  (( segid "PTBd" and resid 83  and name HN  ))
  (( segid "PTBd" and resid 83  and name HD1  ))
     6 6 0 peak 8421 weight  0.11000E+01 volume 265.77621 ppm1 9.849 ppm2 1.698
ASSI {  8431}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 15  and name HG2  ))
     6 6 0 peak 8431 weight  0.11000E+01 volume 18.44340 ppm1 9.158 ppm2 1.427
ASSI {  8441}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 15  and name HG1  ))
     6 6 0 peak 8441 weight  0.11000E+01 volume 17.53830 ppm1 9.158 ppm2 1.588
ASSI {  8451}
  (( segid "PTBd" and resid 15  and name HN  ))
  (( segid "PTBd" and resid 15  and name HA  ))
     6 6 0 peak 8451 weight  0.11000E+01 volume 637.26062 ppm1 9.158 ppm2 4.694
ASSI {  8461}
  (( segid "PTBd" and resid 16  and name HN  ))
  (( segid "PTBd" and resid 15  and name HG2  ))
     6 6 0 peak 8461 weight  0.11000E+01 volume 35.32050 ppm1 8.613 ppm2 1.429
ASSI {  8471}
  (( segid "PTBd" and resid 22  and name HN  ))
  (( segid "PTBd" and resid 22  and name HB2  ))
     6 6 0 peak 8471 weight  0.11000E+01 volume 207.38060 ppm1 7.807 ppm2 2.422
ASSI {  8481}
  (( segid "PTBd" and resid 23  and name HN  ))
  (( segid "PTBd" and resid 22  and name HA  ))
     6 6 0 peak 8481 weight  0.11000E+01 volume 57.68940 ppm1 7.938 ppm2 4.747
ASSI {  8491}
  (( segid "PTBd" and resid 46  and name HN  ))
  (( segid "PTBd" and resid 46  and name HA  ))
     6 6 0 peak 8491 weight  0.11000E+01 volume 706.16809 ppm1 7.929 ppm2 4.773
ASSI {  8501}
  (( segid "PTBd" and resid 47  and name HN  ))
  (( segid "PTBd" and resid 46  and name HA  ))
     6 6 0 peak 8501 weight  0.11000E+01 volume 1307.90417 ppm1 8.410 ppm2 4.774
ASSI {  8511}
  (( segid "PTBd" and resid 61  and name HN  ))
  (( segid "PTBd" and resid 61  and name HB2  ))
     6 6 0 peak 8511 weight  0.11000E+01 volume 16.60150 ppm1 9.427 ppm2 2.537
ASSI {  8521}
  (( segid "PTBd" and resid 101  and name HN  ))
  (( segid "PTBd" and resid 100  and name HB1  ))
     6 6 0 peak 8521 weight  0.11000E+01 volume 101.65720 ppm1 7.709 ppm2 2.959
ASSI {  8531}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "PTBd" and resid 104  and name HB2  ))
     6 6 0 peak 8531 weight  0.11000E+01 volume 184.24440 ppm1 8.393 ppm2 2.695
ASSI {  8541}
  (( segid "PTBd" and resid 105  and name HN  ))
  (( segid "PTBd" and resid 104  and name HB2  ))
     6 6 0 peak 8541 weight  0.11000E+01 volume 31.38360 ppm1 8.052 ppm2 2.695
ASSI {  8551}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 27  and name HA2  ))
     6 6 0 peak 8551 weight  0.11000E+01 volume 686.53900 ppm1 7.922 ppm2 4.094
ASSI {  8561}
  (( segid "PTBd" and resid 27  and name HN  ))
  (( segid "PTBd" and resid 27  and name HA1  ))
     6 6 0 peak 8561 weight  0.11000E+01 volume 500.37521 ppm1 7.922 ppm2 4.209
ASSI {  8571}
  (( segid "PTBd" and resid 28  and name HN  ))
  (( segid "PTBd" and resid 27  and name HA1  ))
     6 6 0 peak 8571 weight  0.11000E+01 volume 17.85640 ppm1 8.708 ppm2 4.209
ASSI {  8581}
  (( segid "PTBd" and resid 28  and name HN  ))
  (( segid "PTBd" and resid 27  and name HA2  ))
     6 6 0 peak 8581 weight  0.11000E+01 volume 24.10830 ppm1 8.708 ppm2 4.098
ASSI {  8591}
  (( segid "PTBd" and resid 60  and name HN  ))
  (( segid "PTBd" and resid 59  and name HA2  ))
     6 6 0 peak 8591 weight  0.11000E+01 volume 126.82530 ppm1 8.409 ppm2 4.613
ASSI {  8601}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 95  and name HB1  ))
     6 6 0 peak 8601 weight  0.11000E+01 volume 173.59140 ppm1 8.132 ppm2 2.068
ASSI {  8611}
  (( segid "PTBd" and resid 95  and name HN  ))
  (( segid "PTBd" and resid 95  and name HB2  ))
     6 6 0 peak 8611 weight  0.11000E+01 volume 102.38210 ppm1 8.132 ppm2 1.764
ASSI {  8621}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HB2  ))
     6 6 0 peak 8621 weight  0.11000E+01 volume 63.31920 ppm1 7.433 ppm2 1.764
ASSI {  8631}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 95  and name HB1  ))
     6 6 0 peak 8631 weight  0.11000E+01 volume 250.36411 ppm1 7.433 ppm2 2.067
ASSI {  8641}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 99  and name HB1  ))
     6 6 0 peak 8641 weight  0.11000E+01 volume 632.56390 ppm1 7.897 ppm2 2.163
ASSI {  8651}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 99  and name HB1  ))
     6 6 0 peak 8651 weight  0.11000E+01 volume 131.15950 ppm1 8.556 ppm2 2.163
ASSI {  8661}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HB1  ))
     6 6 0 peak 8661 weight  0.11000E+01 volume 182.69701 ppm1 8.515 ppm2 2.061
ASSI {  8671}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 107  and name HB2  ))
     6 6 0 peak 8671 weight  0.11000E+01 volume 53.35410 ppm1 8.515 ppm2 1.959
ASSI {  8681}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 96  and name HG2  ))
     6 6 0 peak 8681 weight  0.11000E+01 volume 396.38760 ppm1 7.433 ppm2 2.128
ASSI {  8691}
  (( segid "PTBd" and resid 96  and name HN  ))
  (( segid "PTBd" and resid 96  and name HB1  ))
     6 6 0 peak 8691 weight  0.11000E+01 volume 282.58679 ppm1 7.434 ppm2 2.105
ASSI {  8701}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 56  and name HB2  ))
     6 6 0 peak 8701 weight  0.11000E+01 volume 160.38271 ppm1 7.815 ppm2 1.493
ASSI {  8711}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 32  and name HA  ))
     6 6 0 peak 8711 weight  0.11000E+01 volume 175.71980 ppm1 8.297 ppm2 5.445
ASSI {  8721}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 18  and name HB1  ))
     6 6 0 peak 8721 weight  0.11000E+01 volume 20.16290 ppm1 7.474 ppm2 3.129
ASSI {  8731}
  (( segid "PTBd" and resid 19  and name HN  ))
  (( segid "PTBd" and resid 18  and name HB2  ))
     6 6 0 peak 8731 weight  0.11000E+01 volume 21.98040 ppm1 7.474 ppm2 2.860
ASSI {  8751}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 56  and name HB1  ))
     6 6 0 peak 8751 weight  0.11000E+01 volume 26.7677 ppm1 7.814 ppm2 1.956
ASSI {  8761}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 56  and name HG1  ))
     6 6 0 peak 8761 weight  0.11000E+01 volume 9.57029 ppm1 7.815 ppm2 1.690
ASSI {  8771}
  (( segid "PTBd" and resid 71  and name HN  ))
  (( segid "PTBd" and resid 71  and name HG1  ))
     6 6 0 peak 8771 weight  0.11000E+01 volume 69.07740 ppm1 8.710 ppm2 1.779
ASSI {  8781}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 71  and name HB1  ))
     6 6 0 peak 8781 weight  0.11000E+01 volume 96.96810 ppm1 8.677 ppm2 1.923
ASSI {  8791}
  (( segid "PTBd" and resid 72  and name HN  ))
  (( segid "PTBd" and resid 72  and name HB1  ))
     6 6 0 peak 8791 weight  0.11000E+01 volume 816.47333 ppm1 8.677 ppm2 1.884
ASSI {  8801}
  (( segid "PTBd" and resid 86  and name HN  ))
  (( segid "PTBd" and resid 86  and name HB2  ))
     6 6 0 peak 8801 weight  0.11000E+01 volume 74.43040 ppm1 7.929 ppm2 1.657
ASSI {  8811}
  (( segid "PTBd" and resid 113  and name HN  ))
  (( segid "PTBd" and resid 113  and name HB1  ))
     6 6 0 peak 8811 weight  0.11000E+01 volume 68.92420 ppm1 8.352 ppm2 1.808
ASSI {  8821}
  (( segid "PTBd" and resid 108  and name HN  ))
  (( segid "PTBd" and resid 109  and name HD2  ))
     6 6 0 peak 8821 weight  0.11000E+01 volume 17.89820 ppm1 8.515 ppm2 3.698
ASSI {  8831}
  (( segid "PTBd" and resid 45  and name HN  ))
  (( segid "PTBd" and resid 45  and name HA  ))
     6 6 0 peak 8831 weight  0.11000E+01 volume 26.98060 ppm1 8.045 ppm2 4.326
ASSI {  8841}
  (( segid "PTBd" and resid 45  and name HN  ))
  (( segid "PTBd" and resid 45  and name HB1  ))
     6 6 0 peak 8841 weight  0.11000E+01 volume 15.17500 ppm1 8.045 ppm2 1.983
ASSI {  8851}
  (( segid "PTBd" and resid 45  and name HN  ))
  (( segid "PTBd" and resid 45  and name HB2  ))
     6 6 0 peak 8851 weight  0.11000E+01 volume 12.14650 ppm1 8.045 ppm2 1.881
ASSI {  8861}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 93  and name HB1  ))
     6 6 0 peak 8861 weight  0.11000E+01 volume 151.89200 ppm1 8.336 ppm2 2.197
ASSI {  8871}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 93  and name HB2  ))
     6 6 0 peak 8871 weight  0.11000E+01 volume 117.78420 ppm1 8.336 ppm2 1.984
ASSI {  8881}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 93  and name HA  ))
     6 6 0 peak 8881 weight  0.11000E+01 volume 111.61680 ppm1 8.222 ppm2 4.107
ASSI {  8901}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 32  and name HG2  ))
     6 6 0 peak 8901 weight  0.11000E+01 volume 41.48620 ppm1 10.143 ppm2 1.930
ASSI {  8911}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 8911 weight  0.11000E+01 volume 335.64261 ppm1 7.897 ppm2 1.910
ASSI {  8921}
  (( segid "PTBd" and resid 100  and name HN  ))
  (( segid "PTBd" and resid 98  and name HA  ))
     6 6 0 peak 8921 weight  0.11000E+01 volume 47.93130 ppm1 8.556 ppm2 3.910
ASSI {  8931}
  (( segid "PTBd" and resid 99  and name HN  ))
  (( segid "PTBd" and resid 98  and name HN  ))
     6 6 0 peak 8931 weight  0.11000E+01 volume 115.15130 ppm1 7.897 ppm2 8.482
ASSI {  8941}
  (( segid "PTBd" and resid 98  and name HN  ))
  (( segid "PTBd" and resid 98  and name HB2  ))
     6 6 0 peak 8941 weight  0.11000E+01 volume 59.87750 ppm1 8.482 ppm2 1.903
ASSI {  8951}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "PTBd" and resid 106  and name HB  ))
     6 6 0 peak 8951 weight  0.11000E+01 volume 446.02640 ppm1 8.735 ppm2 1.949
ASSI {  8961}
  (( segid "PTBd" and resid 107  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 8961 weight  0.11000E+01 volume 32.14770 ppm1 8.735 ppm2 0.739
ASSI {  8971}
  (( segid "PTBd" and resid 102  and name HN  ))
  (( segid "PTBd" and resid 102  and name HA  ))
     6 6 0 peak 8971 weight  0.11000E+01 volume 262.39401 ppm1 7.994 ppm2 4.741
ASSI {  8981}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 102  and name HA  ))
     6 6 0 peak 8981 weight  0.11000E+01 volume 63.80780 ppm1 8.060 ppm2 4.742
ASSI {  8991}
  (( segid "PTBd" and resid 103  and name HN  ))
  (( segid "PTBd" and resid 102  and name HB1  ))
     6 6 0 peak 8991 weight  0.11000E+01 volume 227.22200 ppm1 8.060 ppm2 4.082
ASSI {  9001}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 120  and name HA  ))
     6 6 0 peak 9001 weight  0.11000E+01 volume 491.12009 ppm1 8.124 ppm2 4.298
ASSI {  9011}
  (( segid "PTBd" and resid 120  and name HN  ))
  (( segid "PTBd" and resid 120  and name HB2  ))
     6 6 0 peak 9011 weight  0.11000E+01 volume 417.51141 ppm1 8.124 ppm2 1.574
ASSI {  9021}
  (( segid "PTBd" and resid 110  and name HN  ))
  (( segid "PTBd" and resid 110  and name HA  ))
     6 6 0 peak 9021 weight  0.11000E+01 volume 261.78409 ppm1 8.255 ppm2 4.067
ASSI {  9031}
  (( segid "PTBd" and resid 111  and name HN  ))
  (( segid "PTBd" and resid 110  and name HB  ))
     6 6 0 peak 9031 weight  0.11000E+01 volume 218.65109 ppm1 8.164 ppm2 2.007
ASSI {  9041}
  (( segid "PTBd" and resid 34  and name HN  ))
  (( segid "PTBd" and resid 34  and name HB  ))
     6 6 0 peak 9041 weight  0.11000E+01 volume 105.92780 ppm1 8.596 ppm2 4.747
ASSI {  9051}
  (( segid "PTBd" and resid 34  and name HN  ))
  (( segid "PTBd" and resid 34  and name HA  ))
     6 6 0 peak 9051 weight  0.11000E+01 volume 71.09160 ppm1 8.596 ppm2 4.959
ASSI {  9061}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 88  and name HB1  ))
     6 6 0 peak 9061 weight  0.11000E+01 volume 217.22530 ppm1 8.417 ppm2 1.771
ASSI {  9071}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 88  and name HG2  ))
     6 6 0 peak 9071 weight  0.11000E+01 volume 233.83299 ppm1 8.417 ppm2 1.787
ASSI {  9081}
  (( segid "PTBd" and resid 88  and name HN  ))
  (( segid "PTBd" and resid 88  and name HA  ))
     6 6 0 peak 9081 weight  0.11000E+01 volume 100.01920 ppm1 8.417 ppm2 2.642
ASSI {  9091}
  (( segid "PTBd" and resid 89  and name HN  ))
  (( segid "PTBd" and resid 88  and name HB1  ))
     6 6 0 peak 9091 weight  0.11000E+01 volume 65.11810 ppm1 7.546 ppm2 1.771
ASSI {  9101}
  (( segid "PTBd" and resid 32  and name HN  ))
  (( segid "PTBd" and resid 31  and name HB1  ))
     6 6 0 peak 9101 weight  0.11000E+01 volume 75.35360 ppm1 10.143 ppm2 1.542
ASSI {  9111}
  (( segid "PTBd" and resid 24  and name HD21  ))
  (( segid "PTBd" and resid 24  and name HN  ))
     6 6 0 peak 9111 weight  0.11000E+01 volume 14.00810 ppm1 8.940 ppm2 8.667
ASSI {  9121}
  (( segid "PTBd" and resid 63  and name HD21  ))
  (( segid "PTBd" and resid 63  and name HB2  ))
     6 6 0 peak 9121 weight  0.11000E+01 volume 57.69550 ppm1 7.522 ppm2 2.828
ASSI {  9141}
  (( segid "PTBd" and resid 92  and name HD21  ))
  (( segid "PTBd" and resid 92  and name HB2  ))
     6 6 0 peak 9141 weight  0.11000E+01 volume 34.22530 ppm1 7.548 ppm2 2.759
ASSI {  9151}
  (( segid "PTBd" and resid 99  and name HE21  ))
  (( segid "PTBd" and resid 99  and name HG2  ))
     6 6 0 peak 9151 weight  0.11000E+01 volume 20.79550 ppm1 7.359 ppm2 2.405
ASSI {  9161}
  (( segid "PTBd" and resid 99  and name HE22  ))
  (( segid "PTBd" and resid 99  and name HG1  ))
     6 6 0 peak 9161 weight  0.11000E+01 volume 28.09060 ppm1 6.807 ppm2 2.491
ASSI {  9171}
  (( segid "PTBd" and resid 93  and name HN  ))
  (( segid "PTBd" and resid 89  and name HA  ))
     6 6 0 peak 9171 weight  0.11000E+01 volume 33.52450 ppm1 8.336 ppm2 3.960
ASSI {  9181}
  (( segid "PTBd" and resid 94  and name HN  ))
  (( segid "PTBd" and resid 90  and name HA  ))
     6 6 0 peak 9181 weight  0.11000E+01 volume 26.14670 ppm1 8.222 ppm2 3.008
ASSI {  9191}
  (( segid "PTBd" and resid 50  and name HN  ))
  (( segid "PTBd" and resid 38  and name HN  ))
     6 6 0 peak 9191 weight  0.11000E+01 volume 10.11400 ppm1 9.481 ppm2 8.234
ASSI {  9201}
  (( segid "PTBd" and resid 20  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 9201 weight  0.11000E+01 volume 37.72500 ppm1 7.424 ppm2 0.688
ASSI {  9211}
  (( segid "PTBd" and resid 33  and name HN  ))
  (( segid "PTBd" and resid 32  and name HB1  ))
     6 6 0 peak 9211 weight  0.11000E+01 volume 14.41320 ppm1 8.296 ppm2 2.224
ASSI {  9231}
  (( segid "PTBd" and resid 53  and name HN  ))
  (( segid "PTBd" and resid 52  and name HA  ))
     6 6 0 peak 9231 weight  0.11000E+01 volume 13.95260 ppm1 9.609 ppm2 4.303
ASSI {  9241}
  (( segid "PTBd" and resid 48  and name HN  ))
  (( segid "PTBd" and resid 41  and name HA  ))
     6 6 0 peak 9241 weight  0.11000E+01 volume 68.54390 ppm1 8.508 ppm2 5.110
ASSI {  9261}
  (( segid "PTBd" and resid 104  and name HN  ))
  (( segid "FGFR" and resid 221  and name HB  ))
     6 6 0 peak 9261 weight  0.11000E+01 volume 62.50720 ppm1 8.393 ppm2 1.000
ASSI {  9271}
  (( segid "PTBd" and resid 50  and name HE1  ))
  (( segid "PTBd" and resid 69  and name HB1  ))
     6 6 0 peak 9271 weight  0.11000E+01 volume 11.24940 ppm1 9.003 ppm2 4.935
ASSI {  9281}
  (( segid "PTBd" and resid 30  and name HN  ))
  (( segid "PTBd" and resid 41  and name HB1  ))
     6 6 0 peak 9281 weight  0.11000E+01 volume 7.63170 ppm1 8.678 ppm2 3.032
ASSI {  9291}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "PTBd" and resid 60  and name HD1  ))
     6 6 0 peak 9291 weight  0.11000E+01 volume 7.16360 ppm1 9.491 ppm2 6.446
ASSI {  9301}
  (( segid "PTBd" and resid 62  and name HN  ))
  (( segid "FGFR" and resid 216  and name HB1  ))
     6 6 0 peak 9301 weight  0.11000E+01 volume 13.33810 ppm1 9.491 ppm2 1.508
ASSI {  9311}
  (( segid "PTBd" and resid 57  and name HN  ))
  (( segid "PTBd" and resid 55  and name HD1#  ))
     6 6 0 peak 9311 weight  0.11000E+01 volume 45.13810 ppm1 7.815 ppm2 0.761
! F3 (1H): 0.04 ppm
! F2 (X): 0.15 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 8.995  and attr rmsd >  8.915  ) 
  and bondedto( attr rmsd <  128.27  and attr rmsd > 127.97  )) 
     ( attr rmsd < 5.204  and attr rmsd > 5.124  ) 
  6 6 0  peak  81  volume  49.71730 ppm1  8.955  ppm2  5.164
assi (( attr rmsd < 9.108  and attr rmsd >  9.028  ) 
  and bondedto( attr rmsd <  127.535  and attr rmsd > 127.235  )) 
     ( attr rmsd < 0.678  and attr rmsd > 0.598  ) 
  6 6 0  peak  331  volume  76.48230 ppm1  9.068  ppm2  0.638
assi (( attr rmsd < 8.075  and attr rmsd >  7.995  ) 
  and bondedto( attr rmsd <  126.8  and attr rmsd > 126.5  )) 
     ( attr rmsd < 1.728  and attr rmsd > 1.648  ) 
  6 6 0  peak  581  volume  53.81570 ppm1  8.035  ppm2  1.688
assi (( attr rmsd < 9.58  and attr rmsd >  9.5  ) 
  and bondedto( attr rmsd <  126.62  and attr rmsd > 126.32  )) 
     ( attr rmsd < 5.268  and attr rmsd > 5.188  ) 
  6 6 0  peak  601  volume  120.38560 ppm1  9.540  ppm2  5.228
assi (( attr rmsd < 9.556  and attr rmsd >  9.476  ) 
  and bondedto( attr rmsd <  125.883  and attr rmsd > 125.583  )) 
     ( attr rmsd < 0.704  and attr rmsd > 0.624  ) 
  6 6 0  peak  831  volume  148.66960 ppm1  9.516  ppm2  0.664
assi (( attr rmsd < 9.556  and attr rmsd >  9.476  ) 
  and bondedto( attr rmsd <  125.883  and attr rmsd > 125.583  )) 
     ( attr rmsd < 0.604  and attr rmsd > 0.524  ) 
  6 6 0  peak  841  volume  59.51190 ppm1  9.516  ppm2  0.564
assi (( attr rmsd < 9.043  and attr rmsd >  8.963  ) 
  and bondedto( attr rmsd <  125.883  and attr rmsd > 125.583  )) 
     ( attr rmsd < 7.148  and attr rmsd > 7.068  ) 
  6 6 0  peak  871  volume  84.60830 ppm1  9.003  ppm2  7.108
assi (( attr rmsd < 9.043  and attr rmsd >  8.963  ) 
  and bondedto( attr rmsd <  125.883  and attr rmsd > 125.583  )) 
     ( attr rmsd < 6.658  and attr rmsd > 6.578  ) 
  6 6 0  peak  881  volume  97.18110 ppm1  9.003  ppm2  6.618
assi (( attr rmsd < 8.547  and attr rmsd >  8.467  ) 
  and bondedto( attr rmsd <  122.396  and attr rmsd > 122.096  )) 
     ( attr rmsd < 1.07  and attr rmsd > 0.99  ) 
  6 6 0  peak  1951  volume  67.55680 ppm1  8.507  ppm2  1.030
assi (( attr rmsd < 9.906  and attr rmsd >  9.826  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 3.804  and attr rmsd > 3.724  ) 
  6 6 0  peak  2331  volume  46.88850 ppm1  9.866  ppm2  3.764
assi (( attr rmsd < 9.906  and attr rmsd >  9.826  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 1.876  and attr rmsd > 1.796  ) 
  6 6 0  peak  2341  volume  101.57540 ppm1  9.866  ppm2  1.836
assi (( attr rmsd < 7.237  and attr rmsd >  7.157  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 3.047  and attr rmsd > 2.967  ) 
  6 6 0  peak  2591  volume  42.02710 ppm1  7.197  ppm2  3.007
assi (( attr rmsd < 7.237  and attr rmsd >  7.157  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 2.656  and attr rmsd > 2.576  ) 
  6 6 0  peak  2611  volume  27.20680 ppm1  7.197  ppm2  2.616
assi (( attr rmsd < 7.237  and attr rmsd >  7.157  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 2.34  and attr rmsd > 2.26  ) 
  6 6 0  peak  2621  volume  48.51900 ppm1  7.197  ppm2  2.300
assi (( attr rmsd < 7.237  and attr rmsd >  7.157  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 3.169  and attr rmsd > 3.089  ) 
  6 6 0  peak  2671  volume  35.69820 ppm1  7.197  ppm2  3.129
assi (( attr rmsd < 8.271  and attr rmsd >  8.191  ) 
  and bondedto( attr rmsd <  121.479  and attr rmsd > 121.179  )) 
     ( attr rmsd < 5.342  and attr rmsd > 5.262  ) 
  6 6 0  peak  2771  volume  81.69390 ppm1  8.231  ppm2  5.302
assi (( attr rmsd < 8.262  and attr rmsd >  8.182  ) 
  and bondedto( attr rmsd <  121.663  and attr rmsd > 121.363  )) 
     ( attr rmsd < 4.341  and attr rmsd > 4.261  ) 
  6 6 0  peak  2811  volume  511.30170 ppm1  8.222  ppm2  4.301
assi (( attr rmsd < 8.1  and attr rmsd >  8.02  ) 
  and bondedto( attr rmsd <  121.296  and attr rmsd > 120.996  )) 
     ( attr rmsd < 3.926  and attr rmsd > 3.846  ) 
  6 6 0  peak  2991  volume  66.70620 ppm1  8.060  ppm2  3.886
assi (( attr rmsd < 8.132  and attr rmsd >  8.052  ) 
  and bondedto( attr rmsd <  120.562  and attr rmsd > 120.262  )) 
     ( attr rmsd < 7.318  and attr rmsd > 7.238  ) 
  6 6 0  peak  3361  volume  49.37530 ppm1  8.092  ppm2  7.278
assi (( attr rmsd < 8.132  and attr rmsd >  8.052  ) 
  and bondedto( attr rmsd <  120.562  and attr rmsd > 120.262  )) 
     ( attr rmsd < 0.825  and attr rmsd > 0.745  ) 
  6 6 0  peak  3431  volume  20.05500 ppm1  8.092  ppm2  0.785
assi (( attr rmsd < 8.132  and attr rmsd >  8.052  ) 
  and bondedto( attr rmsd <  120.562  and attr rmsd > 120.262  )) 
     ( attr rmsd < 7.196  and attr rmsd > 7.116  ) 
  6 6 0  peak  3441  volume  62.23140 ppm1  8.092  ppm2  7.156
assi (( attr rmsd < 8.709  and attr rmsd >  8.629  ) 
  and bondedto( attr rmsd <  119.827  and attr rmsd > 119.527  )) 
     ( attr rmsd < 1.926  and attr rmsd > 1.846  ) 
  6 6 0  peak  3781  volume  100.52500 ppm1  8.669  ppm2  1.886
assi (( attr rmsd < 8.709  and attr rmsd >  8.629  ) 
  and bondedto( attr rmsd <  119.827  and attr rmsd > 119.527  )) 
     ( attr rmsd < 1.534  and attr rmsd > 1.454  ) 
  6 6 0  peak  3791  volume  36.97540 ppm1  8.669  ppm2  1.494
assi (( attr rmsd < 8.702  and attr rmsd >  8.622  ) 
  and bondedto( attr rmsd <  119.827  and attr rmsd > 119.527  )) 
     ( attr rmsd < 5.464  and attr rmsd > 5.384  ) 
  6 6 0  peak  3831  volume  86.87110 ppm1  8.662  ppm2  5.424
assi (( attr rmsd < 7.969  and attr rmsd >  7.889  ) 
  and bondedto( attr rmsd <  119.644  and attr rmsd > 119.344  )) 
     ( attr rmsd < 2.95  and attr rmsd > 2.87  ) 
  6 6 0  peak  3941  volume  30.34220 ppm1  7.929  ppm2  2.910
assi (( attr rmsd < 7.473  and attr rmsd >  7.393  ) 
  and bondedto( attr rmsd <  119.644  and attr rmsd > 119.344  )) 
     ( attr rmsd < 0.974  and attr rmsd > 0.894  ) 
  6 6 0  peak  4011  volume  77.53250 ppm1  7.433  ppm2  0.934
assi (( attr rmsd < 8.075  and attr rmsd >  7.995  ) 
  and bondedto( attr rmsd <  119.46  and attr rmsd > 119.16  )) 
     ( attr rmsd < 4.218  and attr rmsd > 4.138  ) 
  6 6 0  peak  4051  volume  86.10480 ppm1  8.035  ppm2  4.178
assi (( attr rmsd < 8.807  and attr rmsd >  8.727  ) 
  and bondedto( attr rmsd <  119.277  and attr rmsd > 118.977  )) 
     ( attr rmsd < 0.655  and attr rmsd > 0.575  ) 
  6 6 0  peak  4181  volume  55.71530 ppm1  8.767  ppm2  0.615
assi (( attr rmsd < 7.587  and attr rmsd >  7.507  ) 
  and bondedto( attr rmsd <  119.277  and attr rmsd > 118.977  )) 
     ( attr rmsd < 3.047  and attr rmsd > 2.967  ) 
  6 6 0  peak  4361  volume  45.37590 ppm1  7.547  ppm2  3.007
assi (( attr rmsd < 7.587  and attr rmsd >  7.507  ) 
  and bondedto( attr rmsd <  119.277  and attr rmsd > 118.977  )) 
     ( attr rmsd < 2.778  and attr rmsd > 2.698  ) 
  6 6 0  peak  4371  volume  47.75200 ppm1  7.547  ppm2  2.738
assi (( attr rmsd < 9.287  and attr rmsd >  9.207  ) 
  and bondedto( attr rmsd <  118.727  and attr rmsd > 118.427  )) 
     ( attr rmsd < 5.342  and attr rmsd > 5.262  ) 
  6 6 0  peak  4571  volume  5.90356 ppm1  9.247  ppm2  5.302
assi (( attr rmsd < 8.091  and attr rmsd >  8.011  ) 
  and bondedto( attr rmsd <  118.726  and attr rmsd > 118.426  )) 
     ( attr rmsd < 1.852  and attr rmsd > 1.772  ) 
  6 6 0  peak  4671  volume  47.99280 ppm1  8.051  ppm2  1.812
assi (( attr rmsd < 7.31  and attr rmsd >  7.23  ) 
  and bondedto( attr rmsd <  118.726  and attr rmsd > 118.426  )) 
     ( attr rmsd < 1.51  and attr rmsd > 1.43  ) 
  6 6 0  peak  4791  volume  32.18990 ppm1  7.270  ppm2  1.470
assi (( attr rmsd < 9.295  and attr rmsd >  9.215  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.7  )) 
     ( attr rmsd < 0.679  and attr rmsd > 0.599  ) 
  6 6 0  peak  4941  volume  78.37060 ppm1  9.255  ppm2  0.639
assi (( attr rmsd < 9.295  and attr rmsd >  9.215  ) 
  and bondedto( attr rmsd <  118  and attr rmsd > 117.7  )) 
     ( attr rmsd < 0.848  and attr rmsd > 0.768  ) 
  6 6 0  peak  4951  volume  89.71550 ppm1  9.255  ppm2  0.808
assi (( attr rmsd < 7.749  and attr rmsd >  7.669  ) 
  and bondedto( attr rmsd <  117.442  and attr rmsd > 117.142  )) 
     ( attr rmsd < 7.344  and attr rmsd > 7.264  ) 
  6 6 0  peak  5211  volume  61.28300 ppm1  7.709  ppm2  7.304
assi (( attr rmsd < 7.749  and attr rmsd >  7.669  ) 
  and bondedto( attr rmsd <  117.442  and attr rmsd > 117.142  )) 
     ( attr rmsd < 4.145  and attr rmsd > 4.065  ) 
  6 6 0  peak  5221  volume  126.87710 ppm1  7.709  ppm2  4.105
assi (( attr rmsd < 7.749  and attr rmsd >  7.669  ) 
  and bondedto( attr rmsd <  117.442  and attr rmsd > 117.142  )) 
     ( attr rmsd < 0.922  and attr rmsd > 0.842  ) 
  6 6 0  peak  5241  volume  38.83380 ppm1  7.709  ppm2  0.882
assi (( attr rmsd < 8.661  and attr rmsd >  8.581  ) 
  and bondedto( attr rmsd <  117.075  and attr rmsd > 116.775  )) 
     ( attr rmsd < 2.241  and attr rmsd > 2.161  ) 
  6 6 0  peak  5381  volume  43.05310 ppm1  8.621  ppm2  2.201
assi (( attr rmsd < 8.661  and attr rmsd >  8.581  ) 
  and bondedto( attr rmsd <  117.075  and attr rmsd > 116.775  )) 
     ( attr rmsd < 2.022  and attr rmsd > 1.942  ) 
  6 6 0  peak  5391  volume  59.77130 ppm1  8.621  ppm2  1.982
assi (( attr rmsd < 8.661  and attr rmsd >  8.581  ) 
  and bondedto( attr rmsd <  117.075  and attr rmsd > 116.775  )) 
     ( attr rmsd < 1.777  and attr rmsd > 1.697  ) 
  6 6 0  peak  5401  volume  37.92830 ppm1  8.621  ppm2  1.737
assi (( attr rmsd < 7.465  and attr rmsd >  7.385  ) 
  and bondedto( attr rmsd <  116.71  and attr rmsd > 116.41  )) 
     ( attr rmsd < 2.809  and attr rmsd > 2.729  ) 
  6 6 0  peak  5501  volume  46.64610 ppm1  7.425  ppm2  2.769
assi (( attr rmsd < 7.514  and attr rmsd >  7.434  ) 
  and bondedto( attr rmsd <  116.524  and attr rmsd > 116.224  )) 
     ( attr rmsd < 6.17  and attr rmsd > 6.09  ) 
  6 6 0  peak  5631  volume  83.65620 ppm1  7.474  ppm2  6.130
assi (( attr rmsd < 8.457  and attr rmsd >  8.377  ) 
  and bondedto( attr rmsd <  116.157  and attr rmsd > 115.857  )) 
     ( attr rmsd < 2.509  and attr rmsd > 2.429  ) 
  6 6 0  peak  5761  volume  41.29400 ppm1  8.417  ppm2  2.469
assi (( attr rmsd < 8.457  and attr rmsd >  8.377  ) 
  and bondedto( attr rmsd <  116.157  and attr rmsd > 115.857  )) 
     ( attr rmsd < 2.29  and attr rmsd > 2.21  ) 
  6 6 0  peak  5771  volume  55.07950 ppm1  8.417  ppm2  2.250
assi (( attr rmsd < 7.847  and attr rmsd >  7.767  ) 
  and bondedto( attr rmsd <  116.157  and attr rmsd > 115.857  )) 
     ( attr rmsd < 4.488  and attr rmsd > 4.408  ) 
  6 6 0  peak  5871  volume  57.26270 ppm1  7.807  ppm2  4.448
assi (( attr rmsd < 8.531  and attr rmsd >  8.451  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 3.193  and attr rmsd > 3.113  ) 
  6 6 0  peak  5931  volume  78.80070 ppm1  8.491  ppm2  3.153
assi (( attr rmsd < 8.531  and attr rmsd >  8.451  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 3.096  and attr rmsd > 3.016  ) 
  6 6 0  peak  5941  volume  100.21250 ppm1  8.491  ppm2  3.056
assi (( attr rmsd < 8.531  and attr rmsd >  8.451  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 2.022  and attr rmsd > 1.942  ) 
  6 6 0  peak  5961  volume  53.01720 ppm1  8.491  ppm2  1.982
assi (( attr rmsd < 8.531  and attr rmsd >  8.451  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 1.827  and attr rmsd > 1.747  ) 
  6 6 0  peak  5971  volume  62.67440 ppm1  8.491  ppm2  1.787
assi (( attr rmsd < 7.855  and attr rmsd >  7.775  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 3.217  and attr rmsd > 3.137  ) 
  6 6 0  peak  6031  volume  89.45400 ppm1  7.815  ppm2  3.177
assi (( attr rmsd < 8.458  and attr rmsd >  8.378  ) 
  and bondedto( attr rmsd <  115.24  and attr rmsd > 114.94  )) 
     ( attr rmsd < 8.124  and attr rmsd > 8.044  ) 
  6 6 0  peak  6221  volume  81.01640 ppm1  8.418  ppm2  8.084
assi (( attr rmsd < 8.458  and attr rmsd >  8.378  ) 
  and bondedto( attr rmsd <  115.24  and attr rmsd > 114.94  )) 
     ( attr rmsd < 0.898  and attr rmsd > 0.818  ) 
  6 6 0  peak  6321  volume  31.91420 ppm1  8.418  ppm2  0.858
assi (( attr rmsd < 8.545  and attr rmsd >  8.465  ) 
  and bondedto( attr rmsd <  114.139  and attr rmsd > 113.839  )) 
     ( attr rmsd < 3.974  and attr rmsd > 3.894  ) 
  6 6 0  peak  6591  volume  51.29440 ppm1  8.505  ppm2  3.934
assi (( attr rmsd < 8.545  and attr rmsd >  8.465  ) 
  and bondedto( attr rmsd <  114.139  and attr rmsd > 113.839  )) 
     ( attr rmsd < 1.751  and attr rmsd > 1.671  ) 
  6 6 0  peak  6601  volume  60.71680 ppm1  8.505  ppm2  1.711
assi (( attr rmsd < 6.884  and attr rmsd >  6.804  ) 
  and bondedto( attr rmsd <  112.304  and attr rmsd > 112.004  )) 
     ( attr rmsd < 0.903  and attr rmsd > 0.823  ) 
  6 6 0  peak  6741  volume  46.74980 ppm1  6.844  ppm2  0.863
assi (( attr rmsd < 8.116  and attr rmsd >  8.036  ) 
  and bondedto( attr rmsd <  112.12  and attr rmsd > 111.82  )) 
     ( attr rmsd < 3.803  and attr rmsd > 3.723  ) 
  6 6 0  peak  6781  volume  88.86010 ppm1  8.076  ppm2  3.763
assi (( attr rmsd < 8.116  and attr rmsd >  8.036  ) 
  and bondedto( attr rmsd <  112.12  and attr rmsd > 111.82  )) 
     ( attr rmsd < 4.122  and attr rmsd > 4.042  ) 
  6 6 0  peak  6811  volume  53.92450 ppm1  8.076  ppm2  4.082
assi (( attr rmsd < 8.034  and attr rmsd >  7.954  ) 
  and bondedto( attr rmsd <  112.12  and attr rmsd > 111.82  )) 
     ( attr rmsd < 0.924  and attr rmsd > 0.844  ) 
  6 6 0  peak  6871  volume  43.74310 ppm1  7.994  ppm2  0.884
assi (( attr rmsd < 7.595  and attr rmsd >  7.515  ) 
  and bondedto( attr rmsd <  111.57  and attr rmsd > 111.27  )) 
     ( attr rmsd < 2.166  and attr rmsd > 2.086  ) 
  6 6 0  peak  6911  volume  38.46630 ppm1  7.555  ppm2  2.126
assi (( attr rmsd < 7.588  and attr rmsd >  7.508  ) 
  and bondedto( attr rmsd <  111.019  and attr rmsd > 110.719  )) 
     ( attr rmsd < 2  and attr rmsd > 1.92  ) 
  6 6 0  peak  6961  volume  46.12690 ppm1  7.548  ppm2  1.960
assi (( attr rmsd < 7.053  and attr rmsd >  6.973  ) 
  and bondedto( attr rmsd <  111.019  and attr rmsd > 110.719  )) 
     ( attr rmsd < 2.002  and attr rmsd > 1.922  ) 
  6 6 0  peak  6991  volume  31.54150 ppm1  7.013  ppm2  1.962
assi (( attr rmsd < 6.836  and attr rmsd >  6.756  ) 
  and bondedto( attr rmsd <  110.988  and attr rmsd > 110.688  )) 
     ( attr rmsd < 1.755  and attr rmsd > 1.675  ) 
  6 6 0  peak  7021  volume  67.39540 ppm1  6.796  ppm2  1.715
assi (( attr rmsd < 8.962  and attr rmsd >  8.882  ) 
  and bondedto( attr rmsd <  109.184  and attr rmsd > 108.884  )) 
     ( attr rmsd < 0.748  and attr rmsd > 0.668  ) 
  6 6 0  peak  7061  volume  46.78720 ppm1  8.922  ppm2  0.708
assi (( attr rmsd < 6.464  and attr rmsd >  6.384  ) 
  and bondedto( attr rmsd <  109.368  and attr rmsd > 109.068  )) 
     ( attr rmsd < 0.801  and attr rmsd > 0.721  ) 
  6 6 0  peak  7101  volume  48.88770 ppm1  6.424  ppm2  0.761
assi (( attr rmsd < 6.465  and attr rmsd >  6.385  ) 
  and bondedto( attr rmsd <  109.368  and attr rmsd > 109.068  )) 
     ( attr rmsd < 0.922  and attr rmsd > 0.842  ) 
  6 6 0  peak  7121  volume  93.62560 ppm1  6.425  ppm2  0.882
assi (( attr rmsd < 7.611  and attr rmsd >  7.531  ) 
  and bondedto( attr rmsd <  108.267  and attr rmsd > 107.967  )) 
     ( attr rmsd < 1.997  and attr rmsd > 1.917  ) 
  6 6 0  peak  7191  volume  48.24610 ppm1  7.571  ppm2  1.957
assi (( attr rmsd < 7.611  and attr rmsd >  7.531  ) 
  and bondedto( attr rmsd <  108.267  and attr rmsd > 107.967  )) 
     ( attr rmsd < 1.606  and attr rmsd > 1.526  ) 
  6 6 0  peak  7221  volume  39.14990 ppm1  7.571  ppm2  1.566
assi (( attr rmsd < 7.962  and attr rmsd >  7.882  ) 
  and bondedto( attr rmsd <  108.083  and attr rmsd > 107.783  )) 
     ( attr rmsd < 3.193  and attr rmsd > 3.113  ) 
  6 6 0  peak  7351  volume  57.69900 ppm1  7.922  ppm2  3.153
assi (( attr rmsd < 7.962  and attr rmsd >  7.882  ) 
  and bondedto( attr rmsd <  108.083  and attr rmsd > 107.783  )) 
     ( attr rmsd < 2.093  and attr rmsd > 2.013  ) 
  6 6 0  peak  7361  volume  53.27320 ppm1  7.922  ppm2  2.053
assi (( attr rmsd < 7.962  and attr rmsd >  7.882  ) 
  and bondedto( attr rmsd <  108.083  and attr rmsd > 107.783  )) 
     ( attr rmsd < 0.948  and attr rmsd > 0.868  ) 
  6 6 0  peak  7371  volume  79.12410 ppm1  7.922  ppm2  0.908
assi (( attr rmsd < 8.832  and attr rmsd >  8.752  ) 
  and bondedto( attr rmsd <  107.349  and attr rmsd > 107.049  )) 
     ( attr rmsd < 1.753  and attr rmsd > 1.673  ) 
  6 6 0  peak  7421  volume  7.54336 ppm1  8.792  ppm2  1.713
assi (( attr rmsd < 9.108  and attr rmsd >  9.028  ) 
  and bondedto( attr rmsd <  127.535  and attr rmsd > 127.235  )) 
     ( attr rmsd < 0.852  and attr rmsd > 0.772  ) 
  6 6 0  peak  7601  volume  39.99940 ppm1  9.068  ppm2  0.812
assi (( attr rmsd < 8.718  and attr rmsd >  8.638  ) 
  and bondedto( attr rmsd <  122.03  and attr rmsd > 121.73  )) 
     ( attr rmsd < 1.559  and attr rmsd > 1.479  ) 
  6 6 0  peak  7841  volume  30.55670 ppm1  8.678  ppm2  1.519
assi (( attr rmsd < 7.668  and attr rmsd >  7.588  ) 
  and bondedto( attr rmsd <  123.865  and attr rmsd > 123.565  )) 
     ( attr rmsd < 4.757  and attr rmsd > 4.677  ) 
  6 6 0  peak  7971  volume  24.95410 ppm1  7.628  ppm2  4.717
assi (( attr rmsd < 8.547  and attr rmsd >  8.467  ) 
  and bondedto( attr rmsd <  122.397  and attr rmsd > 122.097  )) 
     ( attr rmsd < 2.056  and attr rmsd > 1.976  ) 
  6 6 0  peak  8741  volume  69.03390 ppm1  8.507  ppm2  2.016
assi (( attr rmsd < 8.807  and attr rmsd >  8.727  ) 
  and bondedto( attr rmsd <  119.277  and attr rmsd > 118.977  )) 
     ( attr rmsd < 2.047  and attr rmsd > 1.967  ) 
  6 6 0  peak  8891  volume  54.39210 ppm1  8.767  ppm2  2.007
assi (( attr rmsd < 7.033  and attr rmsd >  6.953  ) 
  and bondedto( attr rmsd <  111.57  and attr rmsd > 111.27  )) 
     ( attr rmsd < 2.166  and attr rmsd > 2.086  ) 
  6 6 0  peak  9131  volume  37.97390 ppm1  6.993  ppm2  2.126
assi (( attr rmsd < 7.855  and attr rmsd >  7.775  ) 
  and bondedto( attr rmsd <  115.79  and attr rmsd > 115.49  )) 
     ( attr rmsd < 4.656  and attr rmsd > 4.576  ) 
  6 6 0  peak  9221  volume  104.01960 ppm1  7.815  ppm2  4.616
assi (( attr rmsd < 8.545  and attr rmsd >  8.465  ) 
  and bondedto( attr rmsd <  114.139  and attr rmsd > 113.839  )) 
     ( attr rmsd < 1.334  and attr rmsd > 1.254  ) 
  6 6 0  peak  9251  volume  28.00280 ppm1  8.505  ppm2  1.294
! F1: 0.04
! F2: 0.04
!The last digit in peak ID is the spectrum number

ASSI {    08}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 08 weight  0.10000E+01 volume 426.90939 ppm1 0.734 ppm2 4.867
ASSI {    18}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 18 weight  0.10000E+01 volume 498.41641 ppm1 0.243 ppm2 4.867
ASSI {    28}
  (( segid "FGFR" and resid 219  and name HB  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 28 weight  0.10000E+01 volume 983.55878 ppm1 1.426 ppm2 4.867
ASSI {    38}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "FGFR" and resid 219  and name HB  ))
     6 6 0 peak 38 weight  0.10000E+01 volume 1128.70691 ppm1 0.736 ppm2 1.424
ASSI {    48}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "FGFR" and resid 219  and name HB  ))
     6 6 0 peak 48 weight  0.10000E+01 volume 993.31989 ppm1 0.243 ppm2 1.424
ASSI {    58}
  (( segid "FGFR" and resid 218  and name HG1  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 58 weight  0.10000E+01 volume 134.35339 ppm1 2.113 ppm2 5.144
ASSI {    68}
  (( segid "FGFR" and resid 218  and name HG2  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 68 weight  0.10000E+01 volume 243.74561 ppm1 1.994 ppm2 5.144
ASSI {    78}
  (( segid "FGFR" and resid 218  and name HB1  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 78 weight  0.10000E+01 volume 290.85001 ppm1 1.889 ppm2 5.144
ASSI {    88}
  (( segid "FGFR" and resid 218  and name HB2  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 88 weight  0.10000E+01 volume 422.28860 ppm1 1.767 ppm2 5.144
ASSI {    98}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 220  and name HB  ))
     6 6 0 peak 98 weight  0.10000E+01 volume 2560.61963 ppm1 1.160 ppm2 3.965
ASSI {   108}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 220  and name HA  ))
     6 6 0 peak 108 weight  0.10000E+01 volume 306.58649 ppm1 1.161 ppm2 4.699
ASSI {   118}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "FGFR" and resid 220  and name HA  ))
     6 6 0 peak 118 weight  0.10000E+01 volume 166.83980 ppm1 3.969 ppm2 4.698
ASSI {   128}
  (( segid "FGFR" and resid 207  and name HB1  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 128 weight  0.10000E+01 volume 645.90302 ppm1 2.970 ppm2 4.581
ASSI {   138}
  (( segid "FGFR" and resid 207  and name HB2  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 138 weight  0.10000E+01 volume 752.94940 ppm1 2.796 ppm2 4.583
ASSI {   148}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "FGFR" and resid 206  and name HB  ))
     6 6 0 peak 148 weight  0.10000E+01 volume 3672.10791 ppm1 1.017 ppm2 2.056
ASSI {   158}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "FGFR" and resid 206  and name HA  ))
     6 6 0 peak 158 weight  0.10000E+01 volume 2184.91138 ppm1 1.016 ppm2 4.252
ASSI {   168}
  (( segid "FGFR" and resid 210  and name HB#  ))
  (( segid "FGFR" and resid 210  and name HA  ))
     6 6 0 peak 168 weight  0.10000E+01 volume 4999.77295 ppm1 1.359 ppm2 4.134
ASSI {   178}
  (( segid "FGFR" and resid 212  and name HB1  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 178 weight  0.10000E+01 volume 2240.41235 ppm1 3.637 ppm2 4.005
ASSI {   188}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "FGFR" and resid 205  and name HA  ))
     6 6 0 peak 188 weight  0.10000E+01 volume 4749.55371 ppm1 1.352 ppm2 4.286
ASSI {   198}
  (( segid "FGFR" and resid 216  and name HD1  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 198 weight  0.10000E+01 volume 390.39780 ppm1 3.110 ppm2 4.005
ASSI {   208}
  (( segid "FGFR" and resid 216  and name HB1  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 208 weight  0.10000E+01 volume 1344.21875 ppm1 1.709 ppm2 4.005
ASSI {   218}
  (( segid "FGFR" and resid 216  and name HG1  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 218 weight  0.10000E+01 volume 363.85172 ppm1 1.513 ppm2 4.005
ASSI {   228}
  (( segid "FGFR" and resid 216  and name HG2  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 228 weight  0.10000E+01 volume 500.70691 ppm1 1.408 ppm2 4.005
ASSI {   238}
  (( segid "FGFR" and resid 217  and name HD1  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 238 weight  0.10000E+01 volume 532.10779 ppm1 3.199 ppm2 4.481
ASSI {   248}
  (( segid "FGFR" and resid 217  and name HD2  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 248 weight  0.10000E+01 volume 341.34039 ppm1 3.109 ppm2 4.481
ASSI {   258}
  (( segid "FGFR" and resid 217  and name HB1  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 258 weight  0.10000E+01 volume 643.42059 ppm1 1.433 ppm2 4.481
ASSI {   268}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 268 weight  0.10000E+01 volume 634.23688 ppm1 1.279 ppm2 4.481
ASSI {   278}
  (( segid "FGFR" and resid 217  and name HG1  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 278 weight  0.10000E+01 volume 625.50519 ppm1 1.071 ppm2 4.481
ASSI {   288}
  (( segid "FGFR" and resid 216  and name HB1  ))
  (( segid "FGFR" and resid 216  and name HD1  ))
     6 6 0 peak 288 weight  0.10000E+01 volume 1059.09778 ppm1 1.708 ppm2 3.111
ASSI {   298}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "FGFR" and resid 217  and name HD2  ))
     6 6 0 peak 298 weight  0.10000E+01 volume 737.89691 ppm1 1.279 ppm2 3.123
ASSI {   308}
  (( segid "FGFR" and resid 217  and name HB2  ))
  (( segid "FGFR" and resid 217  and name HD1  ))
     6 6 0 peak 308 weight  0.10000E+01 volume 634.62769 ppm1 1.279 ppm2 3.197
ASSI {   318}
  (( segid "FGFR" and resid 217  and name HB1  ))
  (( segid "FGFR" and resid 217  and name HD1  ))
     6 6 0 peak 318 weight  0.10000E+01 volume 237.02831 ppm1 1.440 ppm2 3.197
ASSI {   328}
  (( segid "FGFR" and resid 213  and name HB  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 328 weight  0.10000E+01 volume 611.54700 ppm1 1.564 ppm2 4.504
ASSI {   338}
  (( segid "FGFR" and resid 213  and name HG11  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 338 weight  0.10000E+01 volume 444.77069 ppm1 1.310 ppm2 4.504
ASSI {   348}
  (( segid "FGFR" and resid 213  and name HG12  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 348 weight  0.10000E+01 volume 186.91350 ppm1 0.856 ppm2 4.504
ASSI {   358}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 358 weight  0.10000E+01 volume 852.86469 ppm1 0.777 ppm2 4.505
ASSI {   368}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 368 weight  0.10000E+01 volume 261.27679 ppm1 0.656 ppm2 4.504
ASSI {   378}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "FGFR" and resid 213  and name HB  ))
     6 6 0 peak 378 weight  0.10000E+01 volume 1009.13898 ppm1 0.656 ppm2 1.569
ASSI {   388}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "FGFR" and resid 213  and name HG11  ))
     6 6 0 peak 388 weight  0.10000E+01 volume 273.12729 ppm1 0.656 ppm2 1.311
ASSI {   398}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 213  and name HG11  ))
     6 6 0 peak 398 weight  0.10000E+01 volume 645.19269 ppm1 0.774 ppm2 1.311
ASSI {   408}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 213  and name HB  ))
     6 6 0 peak 408 weight  0.10000E+01 volume 1519.12915 ppm1 0.774 ppm2 1.569
ASSI {   418}
  (( segid "FGFR" and resid 206  and name HB  ))
  (( segid "FGFR" and resid 206  and name HA  ))
     6 6 0 peak 418 weight  0.10000E+01 volume 525.02130 ppm1 2.051 ppm2 4.252
ASSI {   428}
  (( segid "FGFR" and resid 211  and name HE1  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 428 weight  0.10000E+01 volume 90.81610 ppm1 2.906 ppm2 4.334
ASSI {   438}
  (( segid "FGFR" and resid 211  and name HB1  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 438 weight  0.10000E+01 volume 1644.31934 ppm1 1.766 ppm2 4.328
ASSI {   448}
  (( segid "FGFR" and resid 211  and name HD1  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 448 weight  0.10000E+01 volume 1012.55859 ppm1 1.580 ppm2 4.328
ASSI {   458}
  (( segid "FGFR" and resid 211  and name HG1  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 458 weight  0.10000E+01 volume 1040.76672 ppm1 1.324 ppm2 4.330
ASSI {   468}
  (( segid "FGFR" and resid 211  and name HG1  ))
  (( segid "FGFR" and resid 211  and name HE1  ))
     6 6 0 peak 468 weight  0.10000E+01 volume 995.32611 ppm1 1.324 ppm2 2.904
ASSI {   478}
  (( segid "FGFR" and resid 211  and name HG2  ))
  (( segid "FGFR" and resid 211  and name HE1  ))
     6 6 0 peak 478 weight  0.10000E+01 volume 349.17780 ppm1 1.239 ppm2 2.904
ASSI {   488}
  (( segid "FGFR" and resid 221  and name HB  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 488 weight  0.10000E+01 volume 1129.33167 ppm1 2.124 ppm2 4.164
ASSI {   498}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 498 weight  0.10000E+01 volume 1092.60449 ppm1 0.994 ppm2 4.164
ASSI {   508}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 508 weight  0.10000E+01 volume 801.41400 ppm1 0.839 ppm2 4.164
ASSI {   518}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "FGFR" and resid 221  and name HB  ))
     6 6 0 peak 518 weight  0.10000E+01 volume 2061.60840 ppm1 0.995 ppm2 2.122
ASSI {   528}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "FGFR" and resid 221  and name HB  ))
     6 6 0 peak 528 weight  0.10000E+01 volume 1152.05505 ppm1 0.839 ppm2 2.122
ASSI {   538}
  (( segid "FGFR" and resid 222  and name HB1  ))
  (( segid "FGFR" and resid 222  and name HA  ))
     6 6 0 peak 538 weight  0.10000E+01 volume 3219.92969 ppm1 3.756 ppm2 4.507
ASSI {   548}
  (( segid "FGFR" and resid 214  and name HB2  ))
  (( segid "FGFR" and resid 214  and name HD1  ))
     6 6 0 peak 548 weight  0.10000E+01 volume 451.28201 ppm1 1.993 ppm2 3.682
ASSI {   558}
  (( segid "FGFR" and resid 214  and name HB2  ))
  (( segid "FGFR" and resid 214  and name HD2  ))
     6 6 0 peak 558 weight  0.10000E+01 volume 340.55551 ppm1 1.993 ppm2 3.514
ASSI {   568}
  (( segid "FGFR" and resid 214  and name HG1  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 568 weight  0.10000E+01 volume 1638.45435 ppm1 1.786 ppm2 4.219
ASSI {   578}
  (( segid "FGFR" and resid 214  and name HB2  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 578 weight  0.10000E+01 volume 405.62921 ppm1 1.993 ppm2 4.219
ASSI {   588}
  (( segid "FGFR" and resid 202  and name HB1  ))
  (( segid "FGFR" and resid 202  and name HA  ))
     6 6 0 peak 588 weight  0.10000E+01 volume 1955.27112 ppm1 3.857 ppm2 4.492
ASSI {   598}
  (( segid "FGFR" and resid 209  and name HB1  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 598 weight  0.10000E+01 volume 974.74518 ppm1 1.658 ppm2 4.299
ASSI {   608}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 608 weight  0.10000E+01 volume 2114.57886 ppm1 0.677 ppm2 4.299
ASSI {   618}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "FGFR" and resid 209  and name HB1  ))
     6 6 0 peak 618 weight  0.10000E+01 volume 1886.53235 ppm1 0.659 ppm2 1.663
ASSI {   628}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 628 weight  0.10000E+01 volume 1029.39539 ppm1 0.506 ppm2 4.345
ASSI {   638}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 638 weight  0.10000E+01 volume 407.12610 ppm1 0.587 ppm2 4.345
ASSI {   648}
  (( segid "FGFR" and resid 211  and name HB1  ))
  (( segid "FGFR" and resid 211  and name HE1  ))
     6 6 0 peak 648 weight  0.10000E+01 volume 176.43221 ppm1 1.766 ppm2 2.904
ASSI {   658}
  (( segid "FGFR" and resid 208  and name HB1  ))
  (( segid "FGFR" and resid 208  and name HA  ))
     6 6 0 peak 658 weight  0.10000E+01 volume 422.75421 ppm1 1.690 ppm2 4.098
ASSI {   668}
  (( segid "FGFR" and resid 214  and name HB1  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 668 weight  0.10000E+01 volume 1408.01318 ppm1 2.067 ppm2 4.219
ASSI {   678}
  (( segid "FGFR" and resid 220  and name HB  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 678 weight  0.10000E+01 volume 26.00430 ppm1 3.969 ppm2 4.867
ASSI {   688}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 688 weight  0.10000E+01 volume 62.59510 ppm1 1.161 ppm2 4.867
ASSI {   698}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 222  and name HB1  ))
     6 6 0 peak 698 weight  0.10000E+01 volume 394.92361 ppm1 1.160 ppm2 3.761
ASSI {   708}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 222  and name HA  ))
     6 6 0 peak 708 weight  0.10000E+01 volume 303.45401 ppm1 1.160 ppm2 4.507
ASSI {   718}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 718 weight  0.10000E+01 volume 37.14170 ppm1 0.243 ppm2 5.144
ASSI {   728}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 728 weight  0.10000E+01 volume 53.88790 ppm1 0.735 ppm2 5.144
ASSI {   738}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 221  and name HB  ))
     6 6 0 peak 738 weight  0.10000E+01 volume 124.85500 ppm1 1.157 ppm2 2.122
ASSI {   748}
  (( segid "FGFR" and resid 220  and name HG2#  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 748 weight  0.10000E+01 volume 120.17880 ppm1 1.160 ppm2 4.164
ASSI {   758}
  (( segid "FGFR" and resid 221  and name HG2#  ))
  (( segid "FGFR" and resid 222  and name HA  ))
     6 6 0 peak 758 weight  0.10000E+01 volume 147.00600 ppm1 0.838 ppm2 4.506
ASSI {   768}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "FGFR" and resid 222  and name HA  ))
     6 6 0 peak 768 weight  0.10000E+01 volume 157.38010 ppm1 0.993 ppm2 4.506
ASSI {   778}
  (( segid "FGFR" and resid 221  and name HG1#  ))
  (( segid "FGFR" and resid 222  and name HB1  ))
     6 6 0 peak 778 weight  0.10000E+01 volume 183.43390 ppm1 0.994 ppm2 3.761
ASSI {   788}
  (( segid "FGFR" and resid 213  and name HB  ))
  (( segid "FGFR" and resid 214  and name HD1  ))
     6 6 0 peak 788 weight  0.10000E+01 volume 283.33081 ppm1 1.564 ppm2 3.682
ASSI {   798}
  (( segid "FGFR" and resid 213  and name HB  ))
  (( segid "FGFR" and resid 214  and name HD2  ))
     6 6 0 peak 798 weight  0.10000E+01 volume 337.38461 ppm1 1.564 ppm2 3.515
ASSI {   808}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 214  and name HD1  ))
     6 6 0 peak 808 weight  0.10000E+01 volume 234.37869 ppm1 0.775 ppm2 3.682
ASSI {   818}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 214  and name HD2  ))
     6 6 0 peak 818 weight  0.10000E+01 volume 518.55078 ppm1 0.775 ppm2 3.515
ASSI {   828}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "FGFR" and resid 214  and name HD1  ))
     6 6 0 peak 828 weight  0.10000E+01 volume 133.70860 ppm1 0.656 ppm2 3.682
ASSI {   838}
  (( segid "FGFR" and resid 214  and name HD2  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 838 weight  0.10000E+01 volume 115.72050 ppm1 3.519 ppm2 4.215
ASSI {   848}
  (( segid "FGFR" and resid 214  and name HD1  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 848 weight  0.10000E+01 volume 79.76200 ppm1 3.677 ppm2 4.215
ASSI {   858}
  (( segid "FGFR" and resid 214  and name HD2  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 858 weight  0.10000E+01 volume 495.28671 ppm1 3.519 ppm2 4.503
ASSI {   868}
  (( segid "FGFR" and resid 214  and name HD1  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 868 weight  0.10000E+01 volume 980.60529 ppm1 3.677 ppm2 4.504
ASSI {   878}
  (( segid "FGFR" and resid 214  and name HD1  ))
  (( segid "FGFR" and resid 213  and name HD1#  ))
     6 6 0 peak 878 weight  0.10000E+01 volume 143.46420 ppm1 3.676 ppm2 0.655
ASSI {   888}
  (( segid "FGFR" and resid 214  and name HD2  ))
  (( segid "FGFR" and resid 213  and name HD1#  ))
     6 6 0 peak 888 weight  0.10000E+01 volume 107.84830 ppm1 3.518 ppm2 0.655
ASSI {   898}
  (( segid "FGFR" and resid 214  and name HG1  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 898 weight  0.10000E+01 volume 523.17609 ppm1 1.789 ppm2 4.503
ASSI {   908}
  (( segid "FGFR" and resid 214  and name HB2  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 908 weight  0.10000E+01 volume 441.49741 ppm1 1.993 ppm2 4.504
ASSI {   918}
  (( segid "FGFR" and resid 214  and name HB1  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 918 weight  0.10000E+01 volume 309.67349 ppm1 2.067 ppm2 4.504
ASSI {   928}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 928 weight  0.10000E+01 volume 169.15500 ppm1 1.016 ppm2 4.581
ASSI {   938}
  (( segid "FGFR" and resid 206  and name HG1#  ))
  (( segid "FGFR" and resid 205  and name HB#  ))
     6 6 0 peak 938 weight  0.10000E+01 volume 628.61011 ppm1 1.016 ppm2 1.343
ASSI {   948}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "FGFR" and resid 206  and name HB  ))
     6 6 0 peak 948 weight  0.10000E+01 volume 331.88480 ppm1 1.352 ppm2 2.055
ASSI {   958}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "FGFR" and resid 210  and name HA  ))
     6 6 0 peak 958 weight  0.10000E+01 volume 89.64320 ppm1 0.677 ppm2 4.134
ASSI {   968}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 968 weight  0.10000E+01 volume 37.00000 ppm1 0.677 ppm2 4.581
ASSI {   978}
  (( segid "FGFR" and resid 215  and name HB1  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 978 weight  0.10000E+01 volume 1018.53589 ppm1 1.664 ppm2 4.345
ASSI {   988}
  (( segid "FGFR" and resid 211  and name HB2  ))
  (( segid "FGFR" and resid 211  and name HE1  ))
     6 6 0 peak 988 weight  0.10000E+01 volume 41.61850 ppm1 1.663 ppm2 2.905
ASSI {   998}
  (( segid "FGFR" and resid 211  and name HB2  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 998 weight  0.10000E+01 volume 1449.62622 ppm1 1.664 ppm2 4.328
ASSI {  1008}
  (( segid "FGFR" and resid 201  and name HB1  ))
  (( segid "FGFR" and resid 201  and name HA  ))
     6 6 0 peak 1008 weight  0.10000E+01 volume 655.08539 ppm1 3.192 ppm2 4.203
ASSI {  1018}
  (( segid "FGFR" and resid 204  and name HG1  ))
  (( segid "FGFR" and resid 204  and name HA  ))
     6 6 0 peak 1018 weight  0.10000E+01 volume 778.56268 ppm1 2.564 ppm2 4.448
ASSI {  1028}
  (( segid "FGFR" and resid 204  and name HB1  ))
  (( segid "FGFR" and resid 204  and name HA  ))
     6 6 0 peak 1028 weight  0.10000E+01 volume 959.40430 ppm1 2.066 ppm2 4.448
ASSI {  1038}
  (( segid "FGFR" and resid 204  and name HB2  ))
  (( segid "FGFR" and resid 204  and name HA  ))
     6 6 0 peak 1038 weight  0.10000E+01 volume 1063.49280 ppm1 1.995 ppm2 4.448
ASSI {  1048}
  (( segid "FGFR" and resid 203  and name HG1  ))
  (( segid "FGFR" and resid 203  and name HA  ))
     6 6 0 peak 1048 weight  0.10000E+01 volume 696.39642 ppm1 2.373 ppm2 4.389
ASSI {  1058}
  (( segid "FGFR" and resid 217  and name HB1  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 1058 weight  0.10000E+01 volume 46.21690 ppm1 1.433 ppm2 5.144
ASSI {  1068}
  (( segid "FGFR" and resid 219  and name HG1#  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 1068 weight  0.10000E+01 volume 45.68920 ppm1 0.735 ppm2 4.164
ASSI {  1078}
  (( segid "FGFR" and resid 219  and name HG2#  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 1078 weight  0.10000E+01 volume 20.01970 ppm1 0.243 ppm2 4.164
ASSI {  1088}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 1088 weight  0.10000E+01 volume 240.01860 ppm1 6.648 ppm2 4.583
ASSI {  1098}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 1098 weight  0.10000E+01 volume 307.47729 ppm1 6.649 ppm2 4.298
ASSI {  1108}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 208  and name HA  ))
     6 6 0 peak 1108 weight  0.10000E+01 volume 94.58680 ppm1 6.649 ppm2 4.122
ASSI {  1118}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 207  and name HB2  ))
     6 6 0 peak 1118 weight  0.10000E+01 volume 303.02271 ppm1 6.649 ppm2 2.800
ASSI {  1128}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 207  and name HB1  ))
     6 6 0 peak 1128 weight  0.10000E+01 volume 315.60959 ppm1 6.649 ppm2 2.972
ASSI {  1138}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 1138 weight  0.10000E+01 volume 1509.15686 ppm1 6.648 ppm2 0.677
ASSI {  1148}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 209  and name HB1  ))
     6 6 0 peak 1148 weight  0.10000E+01 volume 240.17551 ppm1 6.648 ppm2 1.669
ASSI {  1158}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 206  and name HG1#  ))
     6 6 0 peak 1158 weight  0.10000E+01 volume 142.22290 ppm1 6.648 ppm2 1.016
ASSI {  1168}
  (( segid "FGFR" and resid 201  and name HD2  ))
  (( segid "FGFR" and resid 201  and name HB1  ))
     6 6 0 peak 1168 weight  0.10000E+01 volume 452.84610 ppm1 7.136 ppm2 3.197
ASSI {  1178}
  (( segid "FGFR" and resid 207  and name HD2  ))
  (( segid "FGFR" and resid 205  and name HB#  ))
     6 6 0 peak 1178 weight  0.10000E+01 volume 86.26260 ppm1 6.648 ppm2 1.346
ASSI {  1188}
  (( segid "FGFR" and resid 205  and name HB#  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 1188 weight  0.10000E+01 volume 49.54030 ppm1 1.352 ppm2 4.581
ASSI {  1198}
  (( segid "FGFR" and resid 214  and name HA  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 1198 weight  0.10000E+01 volume 134.76790 ppm1 4.220 ppm2 0.505
ASSI {  1208}
  (( segid "FGFR" and resid 214  and name HA  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 1208 weight  0.10000E+01 volume 50.66820 ppm1 4.220 ppm2 0.585
ASSI {  1218}
  (( segid "FGFR" and resid 209  and name HD1#  ))
  (( segid "FGFR" and resid 208  and name HA  ))
     6 6 0 peak 1218 weight  0.10000E+01 volume 136.99380 ppm1 0.676 ppm2 4.098
ASSI {  1228}
  (( segid "FGFR" and resid 215  and name HD2#  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 1228 weight  0.10000E+01 volume 151.02400 ppm1 0.504 ppm2 4.005
ASSI {  1238}
  (( segid "FGFR" and resid 215  and name HD1#  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 1238 weight  0.10000E+01 volume 156.48230 ppm1 0.588 ppm2 5.144
ASSI {  1248}
  (( segid "FGFR" and resid 213  and name HD1#  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 1248 weight  0.10000E+01 volume 484.13791 ppm1 0.656 ppm2 4.004
ASSI {  1258}
  (( segid "FGFR" and resid 213  and name HG2#  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 1258 weight  0.10000E+01 volume 71.80980 ppm1 0.777 ppm2 4.004
ASSI {  1268}
  (( segid "FGFR" and resid 213  and name HG12  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 1268 weight  0.10000E+01 volume 155.98550 ppm1 0.856 ppm2 4.004
ASSI {  1278}
  (( segid "FGFR" and resid 213  and name HB  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 1278 weight  0.10000E+01 volume 216.59840 ppm1 1.564 ppm2 4.004
ASSI {  1288}
  (( segid "FGFR" and resid 213  and name HG11  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 1288 weight  0.10000E+01 volume 114.74460 ppm1 1.311 ppm2 4.004
ASSI {  1298}
  (( segid "FGFR" and resid 218  and name HB2  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 1298 weight  0.10000E+01 volume 211.59430 ppm1 1.767 ppm2 0.587
ASSI {  1318}
  (( segid "FGFR" and resid 214  and name HG1  ))
  (( segid "FGFR" and resid 213  and name HG2#  ))
     6 6 0 peak 1318 weight  0.10000E+01 volume 350.57700 ppm1 1.786 ppm2 0.772
ASSI {  1348}
  (( segid "FGFR" and resid 215  and name HB2  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 1348 weight  0.10000E+01 volume 137.70470 ppm1 1.165 ppm2 4.346
ASSI {  1358}
  (( segid "FGFR" and resid 215  and name HG  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 1358 weight  0.10000E+01 volume 265.90689 ppm1 1.203 ppm2 4.346
ASSI {  1368}
  (( segid "FGFR" and resid 209  and name HG  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 1368 weight  0.10000E+01 volume 131.52451 ppm1 1.177 ppm2 4.299
ASSI {  1378}
  (( segid "FGFR" and resid 211  and name HG2  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 1378 weight  0.10000E+01 volume 547.80969 ppm1 1.239 ppm2 4.330
ASSI {  1388}
  (( segid "FGFR" and resid 218  and name HB1  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 1388 weight  0.10000E+01 volume 170.55550 ppm1 1.889 ppm2 0.587
! F1: 0.04
! F2: 0.04
!The last digit in peak ID is the spectrum number

ASSI {    09}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 09 weight  0.10000E+01 volume 155.46381 ppm1 8.532 ppm2 5.167
ASSI {    19}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 218  and name HA  ))
     6 6 0 peak 19 weight  0.10000E+01 volume 834.10907 ppm1 8.969 ppm2 5.163
ASSI {    29}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 29 weight  0.10000E+01 volume 209.08459 ppm1 8.971 ppm2 4.855
ASSI {    39}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 219  and name HA  ))
     6 6 0 peak 39 weight  0.10000E+01 volume 353.42380 ppm1 8.808 ppm2 4.855
ASSI {    49}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 220  and name HB  ))
     6 6 0 peak 49 weight  0.10000E+01 volume 415.99130 ppm1 8.808 ppm2 3.994
ASSI {    59}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 220  and name HA  ))
     6 6 0 peak 59 weight  0.10000E+01 volume 284.83630 ppm1 8.808 ppm2 4.691
ASSI {    69}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 220  and name HG2#  ))
     6 6 0 peak 69 weight  0.10000E+01 volume 230.18100 ppm1 8.808 ppm2 1.175
ASSI {    79}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG2#  ))
     6 6 0 peak 79 weight  0.10000E+01 volume 95.66420 ppm1 8.808 ppm2 0.261
ASSI {    89}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 89 weight  0.10000E+01 volume 414.58319 ppm1 8.808 ppm2 0.742
ASSI {    99}
  (( segid "FGFR" and resid 220  and name HN  ))
  (( segid "FGFR" and resid 219  and name HB  ))
     6 6 0 peak 99 weight  0.10000E+01 volume 345.67950 ppm1 8.808 ppm2 1.422
ASSI {   109}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 109 weight  0.10000E+01 volume 186.04221 ppm1 8.970 ppm2 0.742
ASSI {   119}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG2#  ))
     6 6 0 peak 119 weight  0.10000E+01 volume 205.26100 ppm1 8.971 ppm2 0.261
ASSI {   129}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 219  and name HB  ))
     6 6 0 peak 129 weight  0.10000E+01 volume 105.06800 ppm1 8.971 ppm2 1.422
ASSI {   139}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 218  and name HB2  ))
     6 6 0 peak 139 weight  0.10000E+01 volume 52.38370 ppm1 8.531 ppm2 1.783
ASSI {   149}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 218  and name HB2  ))
     6 6 0 peak 149 weight  0.10000E+01 volume 110.77550 ppm1 8.971 ppm2 1.784
ASSI {   159}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 218  and name HB1  ))
     6 6 0 peak 159 weight  0.10000E+01 volume 60.25270 ppm1 8.531 ppm2 1.892
ASSI {   169}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 218  and name HB1  ))
     6 6 0 peak 169 weight  0.10000E+01 volume 109.51400 ppm1 8.971 ppm2 1.895
ASSI {   179}
  (( segid "FGFR" and resid 218  and name HE21  ))
  (( segid "FGFR" and resid 218  and name HG1  ))
     6 6 0 peak 179 weight  0.10000E+01 volume 248.94310 ppm1 7.344 ppm2 2.129
ASSI {   189}
  (( segid "FGFR" and resid 218  and name HE21  ))
  (( segid "FGFR" and resid 218  and name HG2  ))
     6 6 0 peak 189 weight  0.10000E+01 volume 245.57719 ppm1 7.344 ppm2 1.990
ASSI {   199}
  (( segid "FGFR" and resid 218  and name HE21  ))
  (( segid "FGFR" and resid 218  and name HB1  ))
     6 6 0 peak 199 weight  0.10000E+01 volume 60.64800 ppm1 7.344 ppm2 1.895
ASSI {   209}
  (( segid "FGFR" and resid 218  and name HE21  ))
  (( segid "FGFR" and resid 218  and name HB2  ))
     6 6 0 peak 209 weight  0.10000E+01 volume 27.94690 ppm1 7.344 ppm2 1.785
ASSI {   219}
  (( segid "FGFR" and resid 210  and name HN  ))
  (( segid "FGFR" and resid 210  and name HA  ))
     6 6 0 peak 219 weight  0.10000E+01 volume 715.48499 ppm1 9.965 ppm2 4.149
ASSI {   229}
  (( segid "FGFR" and resid 210  and name HN  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 229 weight  0.10000E+01 volume 1290.25586 ppm1 9.965 ppm2 4.302
ASSI {   239}
  (( segid "FGFR" and resid 210  and name HN  ))
  (( segid "FGFR" and resid 210  and name HB#  ))
     6 6 0 peak 239 weight  0.10000E+01 volume 1587.06335 ppm1 9.965 ppm2 1.374
ASSI {   249}
  (( segid "FGFR" and resid 209  and name HN  ))
  (( segid "FGFR" and resid 209  and name HA  ))
     6 6 0 peak 249 weight  0.10000E+01 volume 53.58330 ppm1 8.645 ppm2 4.302
ASSI {   259}
  (( segid "FGFR" and resid 209  and name HN  ))
  (( segid "FGFR" and resid 208  and name HA  ))
     6 6 0 peak 259 weight  0.10000E+01 volume 613.81989 ppm1 8.645 ppm2 4.105
ASSI {   269}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 208  and name HA  ))
     6 6 0 peak 269 weight  0.10000E+01 volume 195.26630 ppm1 8.035 ppm2 4.105
ASSI {   279}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 279 weight  0.10000E+01 volume 1053.83008 ppm1 8.035 ppm2 4.588
ASSI {   289}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 207  and name HA  ))
     6 6 0 peak 289 weight  0.10000E+01 volume 269.20529 ppm1 8.751 ppm2 4.588
ASSI {   299}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 206  and name HA  ))
     6 6 0 peak 299 weight  0.10000E+01 volume 330.87949 ppm1 8.750 ppm2 4.262
ASSI {   309}
  (( segid "FGFR" and resid 205  and name HN  ))
  (( segid "FGFR" and resid 205  and name HA  ))
     6 6 0 peak 309 weight  0.10000E+01 volume 55.58090 ppm1 8.555 ppm2 4.306
ASSI {   319}
  (( segid "FGFR" and resid 205  and name HN  ))
  (( segid "FGFR" and resid 205  and name HB#  ))
     6 6 0 peak 319 weight  0.10000E+01 volume 210.57880 ppm1 8.555 ppm2 1.361
ASSI {   329}
  (( segid "FGFR" and resid 206  and name HN  ))
  (( segid "FGFR" and resid 206  and name HB  ))
     6 6 0 peak 329 weight  0.10000E+01 volume 483.00449 ppm1 7.555 ppm2 2.060
ASSI {   339}
  (( segid "FGFR" and resid 206  and name HN  ))
  (( segid "FGFR" and resid 205  and name HA  ))
     6 6 0 peak 339 weight  0.10000E+01 volume 842.83679 ppm1 7.555 ppm2 4.306
ASSI {   349}
  (( segid "FGFR" and resid 206  and name HN  ))
  (( segid "FGFR" and resid 206  and name HA  ))
     6 6 0 peak 349 weight  0.10000E+01 volume 848.19318 ppm1 7.555 ppm2 4.262
ASSI {   359}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 207  and name HB2  ))
     6 6 0 peak 359 weight  0.10000E+01 volume 358.89099 ppm1 8.750 ppm2 2.803
ASSI {   369}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 207  and name HB1  ))
     6 6 0 peak 369 weight  0.10000E+01 volume 368.98300 ppm1 8.750 ppm2 2.976
ASSI {   379}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 207  and name HB1  ))
     6 6 0 peak 379 weight  0.10000E+01 volume 137.04770 ppm1 8.035 ppm2 2.976
ASSI {   389}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 207  and name HB2  ))
     6 6 0 peak 389 weight  0.10000E+01 volume 70.46490 ppm1 8.035 ppm2 2.804
ASSI {   399}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 210  and name HA  ))
     6 6 0 peak 399 weight  0.10000E+01 volume 231.45261 ppm1 7.572 ppm2 4.149
ASSI {   409}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 409 weight  0.10000E+01 volume 778.29382 ppm1 7.572 ppm2 4.343
ASSI {   419}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HA  ))
     6 6 0 peak 419 weight  0.10000E+01 volume 2853.84473 ppm1 8.084 ppm2 4.343
ASSI {   429}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 429 weight  0.10000E+01 volume 370.19919 ppm1 8.084 ppm2 4.019
ASSI {   439}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 212  and name HA  ))
     6 6 0 peak 439 weight  0.10000E+01 volume 1396.20911 ppm1 7.872 ppm2 4.019
ASSI {   449}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 212  and name HB1  ))
     6 6 0 peak 449 weight  0.10000E+01 volume 691.39612 ppm1 7.872 ppm2 3.669
ASSI {   459}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 212  and name HB1  ))
     6 6 0 peak 459 weight  0.10000E+01 volume 513.88489 ppm1 8.084 ppm2 3.669
ASSI {   469}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HA  ))
     6 6 0 peak 469 weight  0.10000E+01 volume 148.53979 ppm1 7.872 ppm2 4.512
ASSI {   479}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 479 weight  0.10000E+01 volume 249.25600 ppm1 7.717 ppm2 4.363
ASSI {   489}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 489 weight  0.10000E+01 volume 1807.74902 ppm1 7.717 ppm2 4.228
ASSI {   499}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 499 weight  0.10000E+01 volume 246.95950 ppm1 7.002 ppm2 4.013
ASSI {   509}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 509 weight  0.10000E+01 volume 420.19110 ppm1 7.002 ppm2 4.490
ASSI {   519}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 217  and name HA  ))
     6 6 0 peak 519 weight  0.10000E+01 volume 2100.40869 ppm1 8.532 ppm2 4.490
ASSI {   529}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 218  and name HG2  ))
     6 6 0 peak 529 weight  0.10000E+01 volume 89.06680 ppm1 8.972 ppm2 1.990
ASSI {   539}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 218  and name HG2  ))
     6 6 0 peak 539 weight  0.10000E+01 volume 49.56790 ppm1 8.531 ppm2 1.990
ASSI {   549}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 216  and name HA  ))
     6 6 0 peak 549 weight  0.10000E+01 volume 170.70171 ppm1 8.043 ppm2 4.012
ASSI {   559}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 216  and name HB1  ))
     6 6 0 peak 559 weight  0.10000E+01 volume 408.42291 ppm1 8.043 ppm2 1.708
ASSI {   569}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 216  and name HG1  ))
     6 6 0 peak 569 weight  0.10000E+01 volume 108.44510 ppm1 8.043 ppm2 1.502
ASSI {   579}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 216  and name HG2  ))
     6 6 0 peak 579 weight  0.10000E+01 volume 332.40811 ppm1 8.043 ppm2 1.415
ASSI {   589}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 589 weight  0.10000E+01 volume 147.42500 ppm1 7.717 ppm2 0.514
ASSI {   599}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 599 weight  0.10000E+01 volume 142.01970 ppm1 7.717 ppm2 0.596
ASSI {   609}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HG  ))
     6 6 0 peak 609 weight  0.10000E+01 volume 86.82950 ppm1 7.717 ppm2 1.197
ASSI {   619}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 217  and name HB2  ))
     6 6 0 peak 619 weight  0.10000E+01 volume 302.22491 ppm1 7.002 ppm2 1.290
ASSI {   629}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 217  and name HB1  ))
     6 6 0 peak 629 weight  0.10000E+01 volume 268.49921 ppm1 7.002 ppm2 1.429
ASSI {   639}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 217  and name HG1  ))
     6 6 0 peak 639 weight  0.10000E+01 volume 130.61411 ppm1 7.002 ppm2 1.082
ASSI {   649}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HB  ))
     6 6 0 peak 649 weight  0.10000E+01 volume 191.02470 ppm1 7.873 ppm2 1.581
ASSI {   659}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HG11  ))
     6 6 0 peak 659 weight  0.10000E+01 volume 147.97910 ppm1 7.873 ppm2 1.330
ASSI {   669}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HG12  ))
     6 6 0 peak 669 weight  0.10000E+01 volume 251.42250 ppm1 7.873 ppm2 0.854
ASSI {   679}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HG2#  ))
     6 6 0 peak 679 weight  0.10000E+01 volume 274.23669 ppm1 7.873 ppm2 0.787
ASSI {   689}
  (( segid "FGFR" and resid 213  and name HN  ))
  (( segid "FGFR" and resid 213  and name HD1#  ))
     6 6 0 peak 689 weight  0.10000E+01 volume 264.38989 ppm1 7.873 ppm2 0.664
ASSI {   699}
  (( segid "FGFR" and resid 206  and name HN  ))
  (( segid "FGFR" and resid 206  and name HG1#  ))
     6 6 0 peak 699 weight  0.10000E+01 volume 639.25098 ppm1 7.555 ppm2 1.023
ASSI {   709}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HB1  ))
     6 6 0 peak 709 weight  0.10000E+01 volume 170.40440 ppm1 7.572 ppm2 1.779
ASSI {   719}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HB2  ))
     6 6 0 peak 719 weight  0.10000E+01 volume 449.36871 ppm1 7.572 ppm2 1.664
ASSI {   729}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HG2  ))
     6 6 0 peak 729 weight  0.10000E+01 volume 62.82750 ppm1 7.572 ppm2 1.237
ASSI {   739}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 221  and name HB  ))
     6 6 0 peak 739 weight  0.10000E+01 volume 476.38791 ppm1 8.084 ppm2 2.142
ASSI {   749}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 749 weight  0.10000E+01 volume 253.23750 ppm1 8.084 ppm2 4.170
ASSI {   759}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 220  and name HA  ))
     6 6 0 peak 759 weight  0.10000E+01 volume 2945.45557 ppm1 8.084 ppm2 4.691
ASSI {   769}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 221  and name HG1#  ))
     6 6 0 peak 769 weight  0.10000E+01 volume 199.42261 ppm1 8.084 ppm2 1.004
ASSI {   779}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 221  and name HG1#  ))
     6 6 0 peak 779 weight  0.10000E+01 volume 554.26111 ppm1 8.409 ppm2 1.004
ASSI {   789}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 221  and name HG2#  ))
     6 6 0 peak 789 weight  0.10000E+01 volume 136.92490 ppm1 8.409 ppm2 0.847
ASSI {   799}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 221  and name HG2#  ))
     6 6 0 peak 799 weight  0.10000E+01 volume 449.79568 ppm1 8.084 ppm2 0.847
ASSI {   809}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 221  and name HA  ))
     6 6 0 peak 809 weight  0.10000E+01 volume 1334.84802 ppm1 8.409 ppm2 4.170
ASSI {   819}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 222  and name HA  ))
     6 6 0 peak 819 weight  0.10000E+01 volume 484.64240 ppm1 8.409 ppm2 4.528
ASSI {   829}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 222  and name HB1  ))
     6 6 0 peak 829 weight  0.10000E+01 volume 467.92410 ppm1 8.409 ppm2 3.778
ASSI {   839}
  (( segid "FGFR" and resid 209  and name HN  ))
  (( segid "FGFR" and resid 209  and name HB1  ))
     6 6 0 peak 839 weight  0.10000E+01 volume 354.48389 ppm1 8.646 ppm2 1.670
ASSI {   849}
  (( segid "FGFR" and resid 209  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 849 weight  0.10000E+01 volume 317.96091 ppm1 8.646 ppm2 0.683
ASSI {   859}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 208  and name HE1  ))
     6 6 0 peak 859 weight  0.10000E+01 volume 127.81850 ppm1 8.035 ppm2 3.173
ASSI {   869}
  (( segid "FGFR" and resid 208  and name HN  ))
  (( segid "FGFR" and resid 208  and name HB1  ))
     6 6 0 peak 869 weight  0.10000E+01 volume 337.55679 ppm1 8.035 ppm2 1.690
ASSI {   879}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HD1  ))
     6 6 0 peak 879 weight  0.10000E+01 volume 249.81329 ppm1 7.572 ppm2 1.582
ASSI {   889}
  (( segid "FGFR" and resid 205  and name HN  ))
  (( segid "FGFR" and resid 204  and name HA  ))
     6 6 0 peak 889 weight  0.10000E+01 volume 546.73688 ppm1 8.555 ppm2 4.442
ASSI {   899}
  (( segid "FGFR" and resid 204  and name HN  ))
  (( segid "FGFR" and resid 203  and name HA  ))
     6 6 0 peak 899 weight  0.10000E+01 volume 225.94930 ppm1 8.433 ppm2 4.399
ASSI {   909}
  (( segid "FGFR" and resid 204  and name HN  ))
  (( segid "FGFR" and resid 204  and name HA  ))
     6 6 0 peak 909 weight  0.10000E+01 volume 93.71120 ppm1 8.433 ppm2 4.442
ASSI {   919}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 919 weight  0.10000E+01 volume 1422.12939 ppm1 8.043 ppm2 4.363
ASSI {   929}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 215  and name HA  ))
     6 6 0 peak 929 weight  0.10000E+01 volume 72.61740 ppm1 7.002 ppm2 4.363
ASSI {   939}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 214  and name HA  ))
     6 6 0 peak 939 weight  0.10000E+01 volume 69.91080 ppm1 8.043 ppm2 4.228
ASSI {   949}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 216  and name HG1  ))
     6 6 0 peak 949 weight  0.10000E+01 volume 85.94710 ppm1 7.002 ppm2 1.503
ASSI {   959}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 959 weight  0.10000E+01 volume 54.20850 ppm1 7.002 ppm2 0.515
ASSI {   969}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 969 weight  0.10000E+01 volume 63.05540 ppm1 7.002 ppm2 0.597
ASSI {   979}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 215  and name HG  ))
     6 6 0 peak 979 weight  0.10000E+01 volume 140.85490 ppm1 7.002 ppm2 1.197
ASSI {   989}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 216  and name HB1  ))
     6 6 0 peak 989 weight  0.10000E+01 volume 60.17790 ppm1 7.001 ppm2 1.708
ASSI {  1009}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 218  and name HG1  ))
     6 6 0 peak 1009 weight  0.10000E+01 volume 52.64440 ppm1 8.531 ppm2 2.129
ASSI {  1019}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 1019 weight  0.10000E+01 volume 43.93720 ppm1 8.531 ppm2 0.742
ASSI {  1029}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 217  and name HG1  ))
     6 6 0 peak 1029 weight  0.10000E+01 volume 71.46380 ppm1 8.531 ppm2 1.082
ASSI {  1039}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 217  and name HB2  ))
     6 6 0 peak 1039 weight  0.10000E+01 volume 87.86710 ppm1 8.531 ppm2 1.290
ASSI {  1049}
  (( segid "FGFR" and resid 218  and name HN  ))
  (( segid "FGFR" and resid 217  and name HB1  ))
     6 6 0 peak 1049 weight  0.10000E+01 volume 46.80110 ppm1 8.531 ppm2 1.429
ASSI {  1059}
  (( segid "FGFR" and resid 218  and name HE22  ))
  (( segid "FGFR" and resid 218  and name HG2  ))
     6 6 0 peak 1059 weight  0.10000E+01 volume 56.52330 ppm1 6.723 ppm2 1.990
ASSI {  1069}
  (( segid "FGFR" and resid 218  and name HE22  ))
  (( segid "FGFR" and resid 218  and name HG1  ))
     6 6 0 peak 1069 weight  0.10000E+01 volume 81.62570 ppm1 6.723 ppm2 2.129
ASSI {  1079}
  (( segid "FGFR" and resid 218  and name HE22  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 1079 weight  0.10000E+01 volume 27.13180 ppm1 6.723 ppm2 0.597
ASSI {  1089}
  (( segid "FGFR" and resid 203  and name HE21  ))
  (( segid "FGFR" and resid 203  and name HG1  ))
     6 6 0 peak 1089 weight  0.10000E+01 volume 107.23270 ppm1 7.586 ppm2 2.392
ASSI {  1099}
  (( segid "FGFR" and resid 203  and name HE22  ))
  (( segid "FGFR" and resid 203  and name HG1  ))
     6 6 0 peak 1099 weight  0.10000E+01 volume 17.43400 ppm1 6.879 ppm2 2.391
ASSI {  1109}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 219  and name HG1#  ))
     6 6 0 peak 1109 weight  0.10000E+01 volume 85.02560 ppm1 8.409 ppm2 0.742
ASSI {  1129}
  (( segid "FGFR" and resid 222  and name HN  ))
  (( segid "FGFR" and resid 220  and name HG2#  ))
     6 6 0 peak 1129 weight  0.10000E+01 volume 30.32950 ppm1 8.409 ppm2 1.176
ASSI {  1149}
  (( segid "FGFR" and resid 219  and name HN  ))
  (( segid "FGFR" and resid 220  and name HG2#  ))
     6 6 0 peak 1149 weight  0.10000E+01 volume 8.91170 ppm1 8.971 ppm2 1.175
ASSI {  1159}
  (( segid "FGFR" and resid 210  and name HN  ))
  (( segid "FGFR" and resid 211  and name HN  ))
     6 6 0 peak 1159 weight  0.10000E+01 volume 502.32330 ppm1 9.966 ppm2 7.571
ASSI {  1169}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 206  and name HG1#  ))
     6 6 0 peak 1169 weight  0.10000E+01 volume 385.72650 ppm1 8.750 ppm2 1.024
ASSI {  1179}
  (( segid "FGFR" and resid 207  and name HN  ))
  (( segid "FGFR" and resid 206  and name HB  ))
     6 6 0 peak 1179 weight  0.10000E+01 volume 188.16740 ppm1 8.750 ppm2 2.060
ASSI {  1189}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD2#  ))
     6 6 0 peak 1189 weight  0.10000E+01 volume 210.29469 ppm1 8.052 ppm2 0.514
ASSI {  1199}
  (( segid "FGFR" and resid 216  and name HN  ))
  (( segid "FGFR" and resid 215  and name HD1#  ))
     6 6 0 peak 1199 weight  0.10000E+01 volume 144.64870 ppm1 8.052 ppm2 0.596
ASSI {  1209}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 210  and name HB#  ))
     6 6 0 peak 1209 weight  0.10000E+01 volume 1376.07166 ppm1 7.572 ppm2 1.371
ASSI {  1219}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 1219 weight  0.10000E+01 volume 191.60001 ppm1 7.572 ppm2 0.683
ASSI {  1229}
  (( segid "FGFR" and resid 210  and name HN  ))
  (( segid "FGFR" and resid 209  and name HD1#  ))
     6 6 0 peak 1229 weight  0.10000E+01 volume 160.76060 ppm1 9.965 ppm2 0.683
ASSI {  1239}
  (( segid "FGFR" and resid 221  and name HN  ))
  (( segid "FGFR" and resid 220  and name HG2#  ))
     6 6 0 peak 1239 weight  0.10000E+01 volume 66.59820 ppm1 8.084 ppm2 1.175
ASSI {  1249}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HB1  ))
     6 6 0 peak 1249 weight  0.10000E+01 volume 502.11179 ppm1 8.084 ppm2 1.779
ASSI {  1259}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HB2  ))
     6 6 0 peak 1259 weight  0.10000E+01 volume 556.51532 ppm1 8.084 ppm2 1.664
ASSI {  1269}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HD1  ))
     6 6 0 peak 1269 weight  0.10000E+01 volume 179.26241 ppm1 8.084 ppm2 1.582
ASSI {  1279}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HG2  ))
     6 6 0 peak 1279 weight  0.10000E+01 volume 161.54720 ppm1 8.084 ppm2 1.236
ASSI {  1289}
  (( segid "FGFR" and resid 212  and name HN  ))
  (( segid "FGFR" and resid 211  and name HG1  ))
     6 6 0 peak 1289 weight  0.10000E+01 volume 100.26080 ppm1 8.084 ppm2 1.334
ASSI {  1309}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 214  and name HG1  ))
     6 6 0 peak 1309 weight  0.10000E+01 volume 259.45941 ppm1 7.717 ppm2 1.790
ASSI {  1319}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HB2  ))
     6 6 0 peak 1319 weight  0.10000E+01 volume 122.43980 ppm1 7.717 ppm2 1.165
ASSI {  1329}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 215  and name HB1  ))
     6 6 0 peak 1329 weight  0.10000E+01 volume 405.38559 ppm1 7.717 ppm2 1.672
ASSI {  1339}
  (( segid "FGFR" and resid 209  and name HN  ))
  (( segid "FGFR" and resid 209  and name HG  ))
     6 6 0 peak 1339 weight  0.10000E+01 volume 82.11280 ppm1 8.646 ppm2 1.177
ASSI {  1349}
  (( segid "FGFR" and resid 211  and name HN  ))
  (( segid "FGFR" and resid 211  and name HG1  ))
     6 6 0 peak 1349 weight  0.10000E+01 volume 305.06769 ppm1 7.572 ppm2 1.324
ASSI {  1389}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 213  and name HG2#  ))
     6 6 0 peak 1389 weight  0.10000E+01 volume 112.53190 ppm1 7.718 ppm2 0.787
ASSI {  1399}
  (( segid "FGFR" and resid 215  and name HN  ))
  (( segid "FGFR" and resid 214  and name HB1  ))
     6 6 0 peak 1399 weight  0.10000E+01 volume 179.08290 ppm1 7.718 ppm2 2.085
ASSI {  1409}
  (( segid "FGFR" and resid 217  and name HN  ))
  (( segid "FGFR" and resid 216  and name HG2  ))
     6 6 0 peak 1409 weight  0.10000E+01 volume 166.66020 ppm1 7.002 ppm2 1.415

  Entry H atom name         Submitted Coord H atom name
    1   1H    HIS 409           HT1      HIS 409  10.991 -14.676 -11.340
    2   2H    HIS 409           HT2      HIS 409  10.421 -13.094 -11.680
    3   3H    HIS 409           HT3      HIS 409   9.305 -14.361 -11.374
    4    HA   HIS 409           HA       HIS 409   9.358 -13.147  -9.446
    5   1HB   HIS 409          HB2       HIS 409   9.937 -15.756  -9.499
    6   2HB   HIS 409          HB1       HIS 409  11.416 -15.185  -8.734
    7    HD1  HIS 409           HD1      HIS 409   9.106 -16.936  -7.379
    8    HD2  HIS 409           HD2      HIS 409   9.754 -12.861  -6.884
    9    HE1  HIS 409           HE1      HIS 409   8.051 -16.350  -5.171
   10    HE2  HIS 409           HE2      HIS 409   8.455 -13.879  -4.892
   11    H    SER 410           HN       SER 410  12.655 -13.804 -10.566
   12    HA   SER 410           HA       SER 410  14.638 -12.747 -10.200
   13   1HB   SER 410          HB1       SER 410  13.788 -10.101  -9.580
   14   2HB   SER 410          HB2       SER 410  14.394 -10.717 -11.117
   15    HG   SER 410           HG       SER 410  12.037  -9.808 -10.722
   16    H    GLN 411           HN       GLN 411  13.542 -14.014  -7.938
   17    HA   GLN 411           HA       GLN 411  13.869 -14.201  -5.699
   18   1HB   GLN 411          HB1       GLN 411  16.178 -13.765  -6.055
   19   2HB   GLN 411          HB2       GLN 411  15.889 -12.054  -6.337
   20   1HG   GLN 411          HG2       GLN 411  16.934 -12.604  -4.139
   21   2HG   GLN 411          HG1       GLN 411  15.448 -11.657  -4.039
   22   1HE2  GLN 411          HE21      GLN 411  17.009 -13.884  -2.436
   23   2HE2  GLN 411          HE22      GLN 411  15.716 -14.866  -1.846
   24    H    MET 412           HN       MET 412  14.537 -10.740  -5.676
   25    HA   MET 412           HA       MET 412  13.561  -9.046  -4.509
   26   1HB   MET 412          HB1       MET 412  11.094 -10.393  -5.625
   27   2HB   MET 412          HB2       MET 412  11.108  -8.795  -4.892
   28   1HG   MET 412          HG1       MET 412  12.621  -9.617  -7.361
   29   2HG   MET 412          HG2       MET 412  11.135  -8.668  -7.320
   30   1HE   MET 412          HE1       MET 412  13.997  -6.268  -8.488
   31   2HE   MET 412          HE2       MET 412  13.107  -7.707  -8.986
   32   3HE   MET 412          HE3       MET 412  14.699  -7.867  -8.244
   33    H    ALA 413           HN       ALA 413  11.514  -8.634  -2.921
   34    HA   ALA 413           HA       ALA 413  11.658 -10.793  -0.924
   35   1HB   ALA 413          HB1       ALA 413  11.940  -7.869  -0.687
   36   2HB   ALA 413          HB2       ALA 413  12.678  -9.163   0.257
   37   3HB   ALA 413          HB3       ALA 413  11.016  -8.670   0.584
   38    H    VAL 414           HN       VAL 414   9.631  -7.965  -1.656
   39    HA   VAL 414           HA       VAL 414   7.312  -8.611  -0.438
   40    HB   VAL 414           HB       VAL 414   7.553  -6.543  -1.664
   41   1HG1  VAL 414          HG11      VAL 414   7.072  -7.848  -4.283
   42   2HG1  VAL 414          HG12      VAL 414   8.708  -7.872  -3.620
   43   3HG1  VAL 414          HG13      VAL 414   7.893  -6.334  -3.904
   44   1HG2  VAL 414          HG21      VAL 414   5.321  -7.507  -3.240
   45   2HG2  VAL 414          HG22      VAL 414   5.353  -6.342  -1.917
   46   3HG2  VAL 414          HG23      VAL 414   5.254  -8.068  -1.569
   47    H    HIS 415           HN       HIS 415   6.742 -10.759  -0.331
   48    HA   HIS 415           HA       HIS 415   6.617 -12.511  -2.548
   49   1HB   HIS 415          HB2       HIS 415   6.468 -12.856   0.138
   50   2HB   HIS 415          HB1       HIS 415   4.771 -13.030  -0.301
   51    HD1  HIS 415           HD1      HIS 415   8.127 -14.479  -1.359
   52    HD2  HIS 415           HD2      HIS 415   4.114 -15.529  -1.100
   53    HE1  HIS 415           HE1      HIS 415   8.024 -16.908  -2.004
   54    HE2  HIS 415           HE2      HIS 415   5.586 -17.523  -1.840
   55    H    LYS 416           HN       LYS 416   4.226 -13.699  -2.671
   56    HA   LYS 416           HA       LYS 416   2.415 -11.550  -3.558
   57   1HB   LYS 416          HB1       LYS 416   1.553 -13.102  -5.228
   58   2HB   LYS 416          HB2       LYS 416   3.294 -12.924  -5.400
   59   1HG   LYS 416          HG2       LYS 416   3.714 -15.070  -4.810
   60   2HG   LYS 416          HG1       LYS 416   2.334 -15.156  -3.712
   61   1HD   LYS 416          HD2       LYS 416   0.864 -15.115  -5.776
   62   2HD   LYS 416          HD1       LYS 416   2.336 -15.377  -6.714
   63   1HE   LYS 416          HE1       LYS 416   2.568 -17.523  -6.011
   64   2HE   LYS 416          HE2       LYS 416   1.864 -17.195  -4.428
   65   1HZ   LYS 416          HZ1       LYS 416   0.281 -18.496  -5.477
   66   2HZ   LYS 416          HZ2       LYS 416   0.486 -17.744  -6.978
   67   3HZ   LYS 416          HZ3       LYS 416  -0.309 -16.930  -5.726
   68    H    LEU 417           HN       LEU 417   0.265 -11.631  -3.010
   69    HA   LEU 417           HA       LEU 417  -0.438 -13.618  -0.961
   70   1HB   LEU 417          HB1       LEU 417  -0.961 -10.750  -1.273
   71   2HB   LEU 417          HB2       LEU 417  -2.362 -11.684  -0.788
   72    HG   LEU 417           HG       LEU 417  -1.068 -10.706   1.110
   73   1HD1  LEU 417          HD21      LEU 417  -1.557 -13.636   0.822
   74   2HD1  LEU 417          HD22      LEU 417  -2.416 -12.443   1.796
   75   3HD1  LEU 417          HD23      LEU 417  -0.824 -13.011   2.300
   76   1HD2  LEU 417          HD11      LEU 417   1.152 -10.809   0.965
   77   2HD2  LEU 417          HD12      LEU 417   1.092 -12.073  -0.264
   78   3HD2  LEU 417          HD13      LEU 417   1.002 -12.500   1.445
   79    H    ALA 418           HN       ALA 418  -1.727 -11.899  -3.783
   80    HA   ALA 418           HA       ALA 418  -3.418 -12.385  -5.229
   81   1HB   ALA 418          HB1       ALA 418  -3.750 -15.160  -4.987
   82   2HB   ALA 418          HB2       ALA 418  -2.040 -14.842  -4.698
   83   3HB   ALA 418          HB3       ALA 418  -2.800 -14.287  -6.189
   84    H    LYS 419           HN       LYS 419  -3.996 -11.969  -2.319
   85    HA   LYS 419           HA       LYS 419  -6.794 -12.428  -2.435
   86   1HB   LYS 419          HB1       LYS 419  -5.766 -14.711  -1.788
   87   2HB   LYS 419          HB2       LYS 419  -5.442 -13.964  -0.230
   88   1HG   LYS 419          HG2       LYS 419  -8.118 -13.386  -0.791
   89   2HG   LYS 419          HG1       LYS 419  -7.884 -15.074  -1.252
   90   1HD   LYS 419          HD1       LYS 419  -6.673 -14.276   1.313
   91   2HD   LYS 419          HD2       LYS 419  -8.437 -14.255   1.264
   92   1HE   LYS 419          HE2       LYS 419  -7.773 -16.417   2.006
   93   2HE   LYS 419          HE1       LYS 419  -8.355 -16.582   0.350
   94   1HZ   LYS 419          HZ1       LYS 419  -6.253 -17.797   0.867
   95   2HZ   LYS 419          HZ2       LYS 419  -5.485 -16.300   1.038
   96   3HZ   LYS 419          HZ3       LYS 419  -6.150 -16.744  -0.453
   97    H    SER 420           HN       SER 420  -7.752 -10.871  -1.299
   98    HA   SER 420           HA       SER 420  -6.395  -8.857   0.006
   99   1HB   SER 420          HB2       SER 420  -8.883  -8.829   1.224
  100   2HB   SER 420          HB1       SER 420  -8.474  -8.045  -0.302
  101    HG   SER 420           HG       SER 420 -10.147 -10.080   0.130
  102    H    ILE 421           HN       ILE 421  -6.707  -8.201   2.340
  103    HA   ILE 421           HA       ILE 421  -6.608 -10.506   4.157
  104    HB   ILE 421           HB       ILE 421  -4.779  -9.111   5.401
  105   1HG1  ILE 421          HG12      ILE 421  -4.482  -8.178   2.538
  106   2HG1  ILE 421          HG11      ILE 421  -4.786  -7.171   3.951
  107   1HG2  ILE 421          HG21      ILE 421  -3.137 -10.522   4.519
  108   2HG2  ILE 421          HG22      ILE 421  -3.898 -10.561   2.929
  109   3HG2  ILE 421          HG23      ILE 421  -4.648 -11.402   4.285
  110   1HD1  ILE 421          HD11      ILE 421  -2.441  -8.622   4.489
  111   2HD1  ILE 421          HD12      ILE 421  -2.609  -6.895   4.174
  112   3HD1  ILE 421          HD13      ILE 421  -2.302  -8.008   2.841
  113    HA   PRO 422           HA       PRO 422  -9.154  -8.169   6.878
  114   1HB   PRO 422          HB1       PRO 422  -8.051  -8.656   9.326
  115   2HB   PRO 422          HB2       PRO 422  -9.030  -9.832   8.443
  116   1HG   PRO 422          HG1       PRO 422  -6.051  -9.603   8.626
  117   2HG   PRO 422          HG2       PRO 422  -7.067 -11.054   8.726
  118   1HD   PRO 422          HD2       PRO 422  -5.749 -10.403   6.477
  119   2HD   PRO 422          HD1       PRO 422  -7.357 -11.156   6.428
  120    H    LEU 423           HN       LEU 423  -8.142  -6.202   5.813
  121    HA   LEU 423           HA       LEU 423  -6.169  -4.778   7.369
  122   1HB   LEU 423          HB2       LEU 423  -7.802  -3.929   4.976
  123   2HB   LEU 423          HB1       LEU 423  -6.524  -2.974   5.702
  124    HG   LEU 423           HG       LEU 423  -5.982  -5.736   4.662
  125   1HD1  LEU 423          HD11      LEU 423  -6.436  -5.066   2.592
  126   2HD1  LEU 423          HD12      LEU 423  -5.074  -3.956   2.741
  127   3HD1  LEU 423          HD13      LEU 423  -6.706  -3.404   3.116
  128   1HD2  LEU 423          HD21      LEU 423  -3.783  -5.203   4.864
  129   2HD2  LEU 423          HD22      LEU 423  -4.431  -4.171   6.139
  130   3HD2  LEU 423          HD23      LEU 423  -4.055  -3.488   4.558
  131    H    ARG 424           HN       ARG 424  -6.533  -2.613   8.204
  132    HA   ARG 424           HA       ARG 424  -9.133  -2.430   9.520
  133   1HB   ARG 424          HB1       ARG 424  -6.534  -0.961   9.990
  134   2HB   ARG 424          HB2       ARG 424  -8.010  -0.673  10.902
  135   1HG   ARG 424          HG2       ARG 424  -6.916  -3.440  10.747
  136   2HG   ARG 424          HG1       ARG 424  -6.161  -2.265  11.827
  137   1HD   ARG 424          HD1       ARG 424  -9.038  -2.201  12.060
  138   2HD   ARG 424          HD2       ARG 424  -8.413  -3.826  12.344
  139    HE   ARG 424           HE       ARG 424  -8.132  -1.555  14.051
  140   1HH1  ARG 424          HH12      ARG 424  -6.600  -4.511  13.031
  141   2HH1  ARG 424          HH11      ARG 424  -5.704  -4.706  14.500
  142   1HH2  ARG 424          HH22      ARG 424  -6.957  -1.802  15.990
  143   2HH2  ARG 424          HH21      ARG 424  -5.906  -3.166  16.183
  144    H    ARG 425           HN       ARG 425  -7.265  -0.906   7.048
  145    HA   ARG 425           HA       ARG 425  -9.287   1.231   6.848
  146   1HB   ARG 425          HB2       ARG 425  -6.350   1.283   6.615
  147   2HB   ARG 425          HB1       ARG 425  -7.202   2.155   5.348
  148   1HG   ARG 425          HG2       ARG 425  -6.850   3.780   6.952
  149   2HG   ARG 425          HG1       ARG 425  -8.500   3.251   7.289
  150   1HD   ARG 425          HD2       ARG 425  -6.447   1.717   8.697
  151   2HD   ARG 425          HD1       ARG 425  -6.484   3.426   9.130
  152    HE   ARG 425           HE       ARG 425  -8.452   1.435   9.767
  153   1HH1  ARG 425          HH11      ARG 425  -7.882   4.835   9.274
  154   2HH1  ARG 425          HH12      ARG 425  -9.226   5.334  10.247
  155   1HH2  ARG 425          HH22      ARG 425 -10.225   2.080  11.050
  156   2HH2  ARG 425          HH21      ARG 425 -10.558   3.767  11.257
  157    H    GLN 426           HN       GLN 426  -8.919   2.143   4.345
  158    HA   GLN 426           HA       GLN 426  -8.670   0.010   2.447
  159   1HB   GLN 426          HB2       GLN 426 -11.275   0.640   3.564
  160   2HB   GLN 426          HB1       GLN 426 -11.250   0.859   1.819
  161   1HG   GLN 426          HG2       GLN 426 -11.469  -1.321   1.551
  162   2HG   GLN 426          HG1       GLN 426  -9.936  -1.577   2.382
  163   1HE2  GLN 426          HE22      GLN 426 -11.932  -3.439   2.519
  164   2HE2  GLN 426          HE21      GLN 426 -12.577  -3.487   4.121
  165    H    VAL 427           HN       VAL 427  -7.104   1.706   1.899
  166    HA   VAL 427           HA       VAL 427  -8.329   3.793   0.230
  167    HB   VAL 427           HB       VAL 427  -7.070   5.123   1.578
  168   1HG1  VAL 427          HG21      VAL 427  -6.303   3.217   2.963
  169   2HG1  VAL 427          HG22      VAL 427  -5.116   4.511   2.798
  170   3HG1  VAL 427          HG23      VAL 427  -4.937   3.026   1.862
  171   1HG2  VAL 427          HG11      VAL 427  -4.663   4.376  -0.002
  172   2HG2  VAL 427          HG12      VAL 427  -5.274   5.967   0.455
  173   3HG2  VAL 427          HG13      VAL 427  -6.072   5.051  -0.823
  174    H    THR 428           HN       THR 428  -8.551   2.847  -1.687
  175    HA   THR 428           HA       THR 428  -6.557   1.047  -2.703
  176    HB   THR 428           HB       THR 428  -9.278   1.939  -3.578
  177    HG1  THR 428           HG1      THR 428  -9.771  -0.173  -3.251
  178   1HG2  THR 428          HG21      THR 428  -8.805  -0.024  -5.344
  179   2HG2  THR 428          HG22      THR 428  -7.261   0.818  -5.353
  180   3HG2  THR 428          HG23      THR 428  -8.740   1.698  -5.721
  181    H    VAL 429           HN       VAL 429  -4.733   2.360  -3.064
  182    HA   VAL 429           HA       VAL 429  -4.926   4.640  -4.810
  183    HB   VAL 429           HB       VAL 429  -3.054   5.341  -3.866
  184   1HG1  VAL 429          HG11      VAL 429  -2.046   4.157  -1.996
  185   2HG1  VAL 429          HG12      VAL 429  -2.913   2.692  -2.464
  186   3HG1  VAL 429          HG13      VAL 429  -3.808   4.114  -1.924
  187   1HG2  VAL 429          HG21      VAL 429  -1.839   4.105  -5.690
  188   2HG2  VAL 429          HG22      VAL 429  -1.538   2.832  -4.509
  189   3HG2  VAL 429          HG23      VAL 429  -0.900   4.453  -4.237
  190    H    SER 430           HN       SER 430  -5.404   4.288  -6.809
  191    HA   SER 430           HA       SER 430  -5.116   2.123  -8.360
  192   1HB   SER 430          HB1       SER 430  -6.273   4.207  -9.039
  193   2HB   SER 430          HB2       SER 430  -4.704   4.952  -9.346
  194    HG   SER 430           HG       SER 430  -4.601   3.937 -11.179
  195   1H    MET   8           HT1      MET   8  29.741  10.638  -3.303
  196   2H    MET   8           HT2      MET   8  30.015  12.022  -4.279
  197   3H    MET   8           HT3      MET   8  28.710  10.966  -4.635
  198    HA   MET   8           HA       MET   8  27.614  11.541  -2.648
  199   1HB   MET   8          HB2       MET   8  30.193  12.185  -1.817
  200   2HB   MET   8          HB1       MET   8  29.372  13.738  -1.897
  201   1HG   MET   8          HG2       MET   8  28.218  13.327  -0.049
  202   2HG   MET   8          HG1       MET   8  27.736  11.729  -0.616
  203   1HE   MET   8          HE1       MET   8  30.958  10.296  -0.797
  204   2HE   MET   8          HE2       MET   8  29.272   9.785  -0.717
  205   3HE   MET   8          HE3       MET   8  30.385   9.357   0.582
  206    H    GLY   9           HN       GLY   9  29.633  14.058  -4.185
  207   1HA   GLY   9          HA2       GLY   9  28.689  15.405  -5.981
  208   2HA   GLY   9          HA1       GLY   9  27.138  15.297  -5.162
  209    H    SER  10           HN       SER  10  29.486  17.388  -5.876
  210    HA   SER  10           HA       SER  10  29.370  18.811  -3.308
  211   1HB   SER  10          HB1       SER  10  31.527  18.299  -4.944
  212   2HB   SER  10          HB2       SER  10  31.096  19.950  -5.389
  213    HG   SER  10           HG       SER  10  32.501  20.042  -3.663
  214    H    ASP  11           HN       ASP  11  27.280  19.657  -3.542
  215    HA   ASP  11           HA       ASP  11  27.167  22.116  -5.015
  216   1HB   ASP  11          HB1       ASP  11  26.193  19.795  -6.300
  217   2HB   ASP  11          HB2       ASP  11  24.778  20.706  -5.781
  218    H    THR  12           HN       THR  12  26.986  21.255  -2.263
  219    HA   THR  12           HA       THR  12  25.799  21.710  -0.377
  220    HB   THR  12           HB       THR  12  23.883  23.362  -1.995
  221    HG1  THR  12           HG1      THR  12  25.557  24.338  -2.800
  222   1HG2  THR  12          HG21      THR  12  23.610  23.239   0.456
  223   2HG2  THR  12          HG22      THR  12  23.941  24.865  -0.141
  224   3HG2  THR  12          HG23      THR  12  25.222  23.932   0.632
  225    H    VAL  13           HN       VAL  13  25.196  19.321  -1.082
  226    HA   VAL  13           HA       VAL  13  22.255  19.149  -1.119
  227    HB   VAL  13           HB       VAL  13  24.063  16.926  -2.019
  228   1HG1  VAL  13          HG11      VAL  13  22.070  16.155  -3.179
  229   2HG1  VAL  13          HG12      VAL  13  21.181  17.575  -2.629
  230   3HG1  VAL  13          HG13      VAL  13  21.737  16.375  -1.461
  231   1HG2  VAL  13          HG21      VAL  13  23.594  19.438  -3.346
  232   2HG2  VAL  13          HG22      VAL  13  22.940  18.100  -4.291
  233   3HG2  VAL  13          HG23      VAL  13  24.639  18.098  -3.818
  234    HA   PRO  14           HA       PRO  14  23.068  17.422   2.973
  235   1HB   PRO  14          HB2       PRO  14  20.530  17.283   3.796
  236   2HB   PRO  14          HB1       PRO  14  21.384  18.830   3.680
  237   1HG   PRO  14          HG1       PRO  14  19.562  17.534   1.692
  238   2HG   PRO  14          HG2       PRO  14  19.474  19.185   2.334
  239   1HD   PRO  14          HD2       PRO  14  20.600  18.671  -0.045
  240   2HD   PRO  14          HD1       PRO  14  21.295  19.888   1.048
  241    H    ASP  15           HN       ASP  15  22.344  15.468   4.168
  242    HA   ASP  15           HA       ASP  15  21.618  13.320   2.287
  243   1HB   ASP  15          HB1       ASP  15  23.950  13.456   3.558
  244   2HB   ASP  15          HB2       ASP  15  23.015  12.711   4.851
  245    H    ASN  16           HN       ASN  16  20.791  14.920   5.219
  246    HA   ASN  16           HA       ASN  16  19.328  12.871   6.487
  247   1HB   ASN  16          HB2       ASN  16  19.226  15.879   6.640
  248   2HB   ASN  16          HB1       ASN  16  18.119  14.873   7.569
  249   1HD2  ASN  16          HD21      ASN  16  19.973  16.643   8.693
  250   2HD2  ASN  16          HD22      ASN  16  21.127  15.721   9.589
  251    H    HIS  17           HN       HIS  17  18.308  11.978   4.508
  252    HA   HIS  17           HA       HIS  17  15.586  12.865   4.347
  253   1HB   HIS  17          HB1       HIS  17  15.698  13.023   1.785
  254   2HB   HIS  17          HB2       HIS  17  16.298  14.395   2.712
  255    HD1  HIS  17           HD1      HIS  17  17.983  11.183   1.534
  256    HD2  HIS  17           HD2      HIS  17  18.494  15.307   1.444
  257    HE1  HIS  17           HE1      HIS  17  20.171  11.564   0.354
  258    HE2  HIS  17           HE2      HIS  17  20.461  14.067   0.310
  259    H    ARG  18           HN       ARG  18  16.310  10.548   5.323
  260    HA   ARG  18           HA       ARG  18  15.664   8.617   3.196
  261   1HB   ARG  18          HB1       ARG  18  16.981   6.945   4.624
  262   2HB   ARG  18          HB2       ARG  18  17.905   8.107   3.683
  263   1HG   ARG  18          HG1       ARG  18  18.789   9.058   5.501
  264   2HG   ARG  18          HG2       ARG  18  17.263   9.014   6.386
  265   1HD   ARG  18          HD2       ARG  18  18.142   7.379   7.614
  266   2HD   ARG  18          HD1       ARG  18  18.014   6.352   6.186
  267    HE   ARG  18           HE       ARG  18  20.405   7.860   6.103
  268   1HH1  ARG  18          HH11      ARG  18  18.932   5.145   7.713
  269   2HH1  ARG  18          HH12      ARG  18  20.439   4.352   8.034
  270   1HH2  ARG  18          HH21      ARG  18  22.394   6.825   6.521
  271   2HH2  ARG  18          HH22      ARG  18  22.407   5.308   7.357
  272    H    ASN  19           HN       ASN  19  13.726   7.758   3.535
  273    HA   ASN  19           HA       ASN  19  12.889   7.214   6.304
  274   1HB   ASN  19          HB2       ASN  19  11.081   8.307   4.139
  275   2HB   ASN  19          HB1       ASN  19  10.641   7.977   5.812
  276   1HD2  ASN  19          HD21      ASN  19  10.445  10.458   4.355
  277   2HD2  ASN  19          HD22      ASN  19  11.406  11.610   5.210
  278    H    LYS  20           HN       LYS  20  13.294   5.023   6.143
  279    HA   LYS  20           HA       LYS  20  11.548   3.595   4.265
  280   1HB   LYS  20          HB2       LYS  20  13.278   1.664   4.714
  281   2HB   LYS  20          HB1       LYS  20  13.577   2.876   3.477
  282   1HG   LYS  20          HG1       LYS  20  14.582   3.480   6.182
  283   2HG   LYS  20          HG2       LYS  20  15.383   2.174   5.303
  284   1HD   LYS  20          HD2       LYS  20  14.889   4.495   3.633
  285   2HD   LYS  20          HD1       LYS  20  15.880   4.872   5.037
  286   1HE   LYS  20          HE1       LYS  20  16.473   2.482   3.342
  287   2HE   LYS  20          HE2       LYS  20  17.035   4.083   2.864
  288   1HZ   LYS  20          HZ1       LYS  20  18.540   2.568   4.302
  289   2HZ   LYS  20          HZ2       LYS  20  17.580   3.109   5.585
  290   3HZ   LYS  20          HZ3       LYS  20  18.449   4.221   4.651
  291    H    PHE  21           HN       PHE  21  11.489   1.114   5.220
  292    HA   PHE  21           HA       PHE  21  11.116   1.128   8.092
  293   1HB   PHE  21          HB1       PHE  21   8.775   0.609   6.249
  294   2HB   PHE  21          HB2       PHE  21   8.760   0.507   8.009
  295    HD1  PHE  21           HD1      PHE  21   9.475   2.696   9.259
  296    HD2  PHE  21           HD2      PHE  21   8.108   2.552   5.233
  297    HE1  PHE  21           HE1      PHE  21   8.882   5.082   9.378
  298    HE2  PHE  21           HE2      PHE  21   7.511   4.932   5.347
  299    HZ   PHE  21           HZ       PHE  21   7.893   6.200   7.420
  300    H    LYS  22           HN       LYS  22  11.974  -0.702   8.767
  301    HA   LYS  22           HA       LYS  22  12.657  -2.865   7.134
  302   1HB   LYS  22          HB1       LYS  22  13.556  -2.212   9.455
  303   2HB   LYS  22          HB2       LYS  22  12.186  -3.107  10.098
  304   1HG   LYS  22          HG2       LYS  22  12.976  -5.111   8.885
  305   2HG   LYS  22          HG1       LYS  22  14.394  -4.198   8.368
  306   1HD   LYS  22          HD2       LYS  22  13.609  -4.928  11.184
  307   2HD   LYS  22          HD1       LYS  22  15.012  -5.497  10.278
  308   1HE   LYS  22          HE1       LYS  22  15.812  -3.129  10.187
  309   2HE   LYS  22          HE2       LYS  22  14.494  -2.703  11.278
  310   1HZ   LYS  22          HZ1       LYS  22  15.920  -4.901  12.322
  311   2HZ   LYS  22          HZ2       LYS  22  15.701  -3.364  12.993
  312   3HZ   LYS  22          HZ3       LYS  22  17.006  -3.657  11.958
  313    H    VAL  23           HN       VAL  23  10.727  -3.343   5.958
  314    HA   VAL  23           HA       VAL  23   8.532  -4.550   7.455
  315    HB   VAL  23           HB       VAL  23   7.392  -4.688   5.258
  316   1HG1  VAL  23          HG11      VAL  23   7.650  -2.555   6.879
  317   2HG1  VAL  23          HG12      VAL  23   6.628  -2.570   5.441
  318   3HG1  VAL  23          HG13      VAL  23   8.245  -1.869   5.367
  319   1HG2  VAL  23          HG21      VAL  23   9.619  -4.784   4.002
  320   2HG2  VAL  23          HG22      VAL  23   9.621  -3.026   4.138
  321   3HG2  VAL  23          HG23      VAL  23   8.312  -3.843   3.284
  322    H    ILE  24           HN       ILE  24   7.962  -6.670   7.349
  323    HA   ILE  24           HA       ILE  24  10.003  -8.506   6.381
  324    HB   ILE  24           HB       ILE  24   7.513  -8.946   8.025
  325   1HG1  ILE  24          HG12      ILE  24  10.456  -8.838   8.659
  326   2HG1  ILE  24          HG11      ILE  24   9.154  -7.880   9.357
  327   1HG2  ILE  24          HG21      ILE  24   8.175 -11.241   8.322
  328   2HG2  ILE  24          HG22      ILE  24   9.609 -10.996   7.322
  329   3HG2  ILE  24          HG23      ILE  24   8.001 -10.907   6.600
  330   1HD1  ILE  24          HD11      ILE  24   9.115  -9.308  11.043
  331   2HD1  ILE  24          HD12      ILE  24  10.239 -10.389  10.219
  332   3HD1  ILE  24          HD13      ILE  24   8.505 -10.531   9.924
  333    H    ASN  25           HN       ASN  25   9.822  -9.662   4.564
  334    HA   ASN  25           HA       ASN  25   7.474  -9.326   2.907
  335   1HB   ASN  25          HB1       ASN  25   8.712 -10.477   1.187
  336   2HB   ASN  25          HB2       ASN  25   9.794  -9.324   1.963
  337   1HD2  ASN  25          HD21      ASN  25  10.488 -11.667   0.452
  338   2HD2  ASN  25          HD22      ASN  25  11.395 -12.690   1.508
  339    H    VAL  26           HN       VAL  26   5.737 -10.468   3.492
  340    HA   VAL  26           HA       VAL  26   6.104 -13.210   4.467
  341    HB   VAL  26           HB       VAL  26   3.742 -13.034   5.232
  342   1HG1  VAL  26          HG11      VAL  26   4.625 -10.776   6.673
  343   2HG1  VAL  26          HG12      VAL  26   6.054 -11.732   6.275
  344   3HG1  VAL  26          HG13      VAL  26   4.711 -12.473   7.146
  345   1HG2  VAL  26          HG21      VAL  26   3.484 -10.999   3.486
  346   2HG2  VAL  26          HG22      VAL  26   3.764 -10.100   4.979
  347   3HG2  VAL  26          HG23      VAL  26   2.422 -11.240   4.874
  348    H    ASP  27           HN       ASP  27   4.675 -14.887   3.747
  349    HA   ASP  27           HA       ASP  27   4.045 -14.631   0.904
  350   1HB   ASP  27          HB1       ASP  27   3.880 -17.118   0.977
  351   2HB   ASP  27          HB2       ASP  27   5.448 -16.514   1.497
  352    H    ASP  28           HN       ASP  28   2.132 -16.471   0.482
  353    HA   ASP  28           HA       ASP  28  -0.247 -15.214   0.869
  354   1HB   ASP  28          HB2       ASP  28   0.363 -17.360  -0.492
  355   2HB   ASP  28          HB1       ASP  28  -0.180 -18.213   0.949
  356    H    ASP  29           HN       ASP  29   0.757 -18.037   2.819
  357    HA   ASP  29           HA       ASP  29  -1.284 -17.871   4.702
  358   1HB   ASP  29          HB1       ASP  29   0.962 -19.483   4.295
  359   2HB   ASP  29          HB2       ASP  29   1.201 -18.785   5.894
  360    H    GLY  30           HN       GLY  30   2.021 -16.546   4.884
  361   1HA   GLY  30          HA1       GLY  30   2.416 -14.348   5.771
  362   2HA   GLY  30          HA2       GLY  30   1.000 -14.547   6.790
  363    H    ASN  31           HN       ASN  31   3.818 -16.650   6.249
  364    HA   ASN  31           HA       ASN  31   4.234 -16.659   9.161
  365   1HB   ASN  31          HB2       ASN  31   3.830 -18.800   7.580
  366   2HB   ASN  31          HB1       ASN  31   5.583 -18.683   7.458
  367   1HD2  ASN  31          HD21      ASN  31   5.303 -20.836   8.512
  368   2HD2  ASN  31          HD22      ASN  31   5.275 -20.873  10.240
  369    H    GLU  32           HN       GLU  32   5.256 -14.684   7.134
  370    HA   GLU  32           HA       GLU  32   7.141 -13.482   6.749
  371   1HB   GLU  32          HB1       GLU  32   8.347 -15.027   9.042
  372   2HB   GLU  32          HB2       GLU  32   8.812 -13.431   8.469
  373   1HG   GLU  32          HG2       GLU  32   7.276 -12.424   9.717
  374   2HG   GLU  32          HG1       GLU  32   6.015 -13.552   9.218
  375    H    LEU  33           HN       LEU  33   8.945 -13.579   5.485
  376    HA   LEU  33           HA       LEU  33   9.966 -16.273   4.854
  377   1HB   LEU  33          HB2       LEU  33  10.179 -13.952   2.971
  378   2HB   LEU  33          HB1       LEU  33  10.218 -15.668   2.613
  379    HG   LEU  33           HG       LEU  33   7.695 -14.477   3.682
  380   1HD1  LEU  33          HD21      LEU  33   8.960 -13.460   1.393
  381   2HD1  LEU  33          HD22      LEU  33   7.295 -13.198   1.913
  382   3HD1  LEU  33          HD23      LEU  33   7.677 -14.524   0.817
  383   1HD2  LEU  33          HD11      LEU  33   7.377 -16.297   1.532
  384   2HD2  LEU  33          HD12      LEU  33   6.949 -16.505   3.232
  385   3HD2  LEU  33          HD13      LEU  33   8.552 -16.969   2.664
  386    H    GLY  34           HN       GLY  34  10.894 -12.849   4.688
  387   1HA   GLY  34          HA1       GLY  34  13.467 -13.532   5.918
  388   2HA   GLY  34          HA2       GLY  34  13.479 -12.694   4.373
  389    H    SER  35           HN       SER  35  13.401 -10.533   4.381
  390    HA   SER  35           HA       SER  35  11.946  -8.836   5.929
  391   1HB   SER  35          HB2       SER  35  12.780  -9.118   8.018
  392   2HB   SER  35          HB1       SER  35  14.244  -9.900   7.429
  393    HG   SER  35           HG       SER  35  14.005  -7.456   8.352
  394    H    GLY  36           HN       GLY  36  12.006  -7.021   4.785
  395   1HA   GLY  36          HA2       GLY  36  14.594  -6.194   3.627
  396   2HA   GLY  36          HA1       GLY  36  13.115  -6.161   2.679
  397    H    ILE  37           HN       ILE  37  14.623  -3.891   2.941
  398    HA   ILE  37           HA       ILE  37  13.259  -2.274   4.971
  399    HB   ILE  37           HB       ILE  37  15.734  -1.754   3.329
  400   1HG1  ILE  37          HG12      ILE  37  15.929  -3.178   5.353
  401   2HG1  ILE  37          HG11      ILE  37  16.830  -1.673   5.486
  402   1HG2  ILE  37          HG21      ILE  37  15.929   0.424   4.359
  403   2HG2  ILE  37          HG22      ILE  37  14.416   0.179   5.232
  404   3HG2  ILE  37          HG23      ILE  37  14.407   0.322   3.474
  405   1HD1  ILE  37          HD11      ILE  37  14.159  -1.380   6.518
  406   2HD1  ILE  37          HD12      ILE  37  15.712  -1.065   7.291
  407   3HD1  ILE  37          HD13      ILE  37  15.029  -2.691   7.314
  408    H    MET  38           HN       MET  38  11.390  -1.499   4.285
  409    HA   MET  38           HA       MET  38  10.833  -0.926   1.526
  410   1HB   MET  38          HB1       MET  38   8.999  -1.671   2.885
  411   2HB   MET  38          HB2       MET  38   9.294  -0.413   4.075
  412   1HG   MET  38          HG2       MET  38   7.325  -0.141   2.465
  413   2HG   MET  38          HG1       MET  38   8.371   1.249   2.732
  414   1HE   MET  38          HE1       MET  38   6.840  -0.662  -0.660
  415   2HE   MET  38          HE2       MET  38   7.201  -1.507   0.848
  416   3HE   MET  38          HE3       MET  38   8.263  -1.698  -0.549
  417    H    GLU  39           HN       GLU  39  11.328   0.888   0.479
  418    HA   GLU  39           HA       GLU  39  11.894   3.256   2.108
  419   1HB   GLU  39          HB2       GLU  39  13.784   2.009   0.766
  420   2HB   GLU  39          HB1       GLU  39  13.115   2.898  -0.595
  421   1HG   GLU  39          HG1       GLU  39  13.352   4.893   1.186
  422   2HG   GLU  39          HG2       GLU  39  14.673   3.851   1.713
  423    H    LEU  40           HN       LEU  40  10.911   5.088   1.673
  424    HA   LEU  40           HA       LEU  40   9.251   5.220  -0.755
  425   1HB   LEU  40          HB1       LEU  40   8.606   6.722   1.754
  426   2HB   LEU  40          HB2       LEU  40   7.534   6.225   0.456
  427    HG   LEU  40           HG       LEU  40   8.183   3.804   1.306
  428   1HD1  LEU  40          HD21      LEU  40   9.733   4.292   2.991
  429   2HD1  LEU  40          HD22      LEU  40   8.237   3.927   3.849
  430   3HD1  LEU  40          HD23      LEU  40   8.747   5.602   3.640
  431   1HD2  LEU  40          HD11      LEU  40   6.275   4.630   3.192
  432   2HD2  LEU  40          HD12      LEU  40   5.997   3.879   1.619
  433   3HD2  LEU  40          HD13      LEU  40   6.043   5.638   1.763
  434    H    THR  41           HN       THR  41  11.413   6.100  -1.518
  435    HA   THR  41           HA       THR  41  12.499   8.509  -0.690
  436    HB   THR  41           HB       THR  41  13.622   8.592  -2.771
  437    HG1  THR  41           HG1      THR  41  12.647   8.198  -4.576
  438   1HG2  THR  41          HG21      THR  41  13.421   5.815  -3.244
  439   2HG2  THR  41          HG22      THR  41  13.357   6.081  -1.501
  440   3HG2  THR  41          HG23      THR  41  14.711   6.709  -2.440
  441    H    ASP  42           HN       ASP  42  12.506  10.268  -2.781
  442    HA   ASP  42           HA       ASP  42  10.084  11.697  -2.334
  443   1HB   ASP  42          HB1       ASP  42  12.309  12.241  -4.313
  444   2HB   ASP  42          HB2       ASP  42  11.049  13.379  -3.844
  445    H    THR  43           HN       THR  43  11.001   9.316  -4.609
  446    HA   THR  43           HA       THR  43   8.454   9.465  -5.903
  447    HB   THR  43           HB       THR  43   9.732   9.582  -8.220
  448    HG1  THR  43           HG1      THR  43  11.336  11.220  -6.555
  449   1HG2  THR  43          HG21      THR  43   9.507  12.266  -7.028
  450   2HG2  THR  43          HG22      THR  43   8.055  11.265  -7.018
  451   3HG2  THR  43          HG23      THR  43   8.863  11.630  -8.542
  452    H    GLU  44           HN       GLU  44   9.313   7.348  -4.508
  453    HA   GLU  44           HA       GLU  44   9.199   5.226  -6.323
  454   1HB   GLU  44          HB1       GLU  44  11.665   6.284  -6.490
  455   2HB   GLU  44          HB2       GLU  44  11.927   5.168  -5.158
  456   1HG   GLU  44          HG2       GLU  44  12.505   3.901  -6.984
  457   2HG   GLU  44          HG1       GLU  44  10.830   3.423  -6.713
  458    H    LEU  45           HN       LEU  45   8.786   3.317  -5.344
  459    HA   LEU  45           HA       LEU  45   8.911   3.228  -2.400
  460   1HB   LEU  45          HB2       LEU  45   6.863   2.542  -4.200
  461   2HB   LEU  45          HB1       LEU  45   7.504   1.026  -3.657
  462    HG   LEU  45           HG       LEU  45   7.116   1.773  -1.293
  463   1HD1  LEU  45          HD21      LEU  45   5.148   3.719  -2.211
  464   2HD1  LEU  45          HD22      LEU  45   6.844   4.209  -2.330
  465   3HD1  LEU  45          HD23      LEU  45   6.175   3.717  -0.774
  466   1HD2  LEU  45          HD11      LEU  45   4.612   1.794  -2.951
  467   2HD2  LEU  45          HD12      LEU  45   4.846   1.158  -1.314
  468   3HD2  LEU  45          HD13      LEU  45   5.569   0.328  -2.695
  469    H    ILE  46           HN       ILE  46  11.313   2.868  -2.909
  470    HA   ILE  46           HA       ILE  46  12.048   0.374  -4.102
  471    HB   ILE  46           HB       ILE  46  13.743   2.284  -2.504
  472   1HG1  ILE  46          HG11      ILE  46  13.874   1.949  -5.475
  473   2HG1  ILE  46          HG12      ILE  46  12.581   2.929  -4.791
  474   1HG2  ILE  46          HG21      ILE  46  14.970   0.326  -2.457
  475   2HG2  ILE  46          HG22      ILE  46  15.557   1.085  -3.937
  476   3HG2  ILE  46          HG23      ILE  46  14.365  -0.212  -4.024
  477   1HD1  ILE  46          HD11      ILE  46  15.360   3.556  -5.191
  478   2HD1  ILE  46          HD12      ILE  46  14.870   3.820  -3.517
  479   3HD1  ILE  46          HD13      ILE  46  14.001   4.621  -4.827
  480    H    LEU  47           HN       LEU  47  11.525  -1.434  -3.150
  481    HA   LEU  47           HA       LEU  47  11.696  -1.692  -0.257
  482   1HB   LEU  47          HB2       LEU  47   9.727  -2.454  -1.625
  483   2HB   LEU  47          HB1       LEU  47  10.749  -3.712  -2.283
  484    HG   LEU  47           HG       LEU  47  10.942  -4.773  -0.149
  485   1HD1  LEU  47          HD21      LEU  47   9.498  -2.365   0.933
  486   2HD1  LEU  47          HD22      LEU  47  11.171  -2.827   1.253
  487   3HD1  LEU  47          HD23      LEU  47   9.849  -3.832   1.847
  488   1HD2  LEU  47          HD11      LEU  47   9.001  -5.679  -0.746
  489   2HD2  LEU  47          HD12      LEU  47   8.351  -4.137  -1.299
  490   3HD2  LEU  47          HD13      LEU  47   8.255  -4.571   0.408
  491    H    TYR  48           HN       TYR  48  13.954  -1.725   0.016
  492    HA   TYR  48           HA       TYR  48  15.785  -3.321  -1.334
  493   1HB   TYR  48          HB1       TYR  48  15.851  -2.586   1.598
  494   2HB   TYR  48          HB2       TYR  48  17.231  -3.035   0.608
  495    HD1  TYR  48           HD1      TYR  48  17.537  -1.512  -1.563
  496    HD2  TYR  48           HD2      TYR  48  15.486  -0.351   1.976
  497    HE1  TYR  48           HE1      TYR  48  17.891   0.852  -2.141
  498    HE2  TYR  48           HE2      TYR  48  15.834   2.015   1.413
  499    HH   TYR  48           HH       TYR  48  17.998   3.136  -0.560
  500    H    THR  49           HN       THR  49  16.647  -5.377  -0.953
  501    HA   THR  49           HA       THR  49  15.759  -7.058   1.160
  502    HB   THR  49           HB       THR  49  13.725  -7.436   0.159
  503    HG1  THR  49           HG1      THR  49  14.932  -9.424   0.228
  504   1HG2  THR  49          HG21      THR  49  14.842  -7.535  -2.615
  505   2HG2  THR  49          HG22      THR  49  14.297  -6.031  -1.873
  506   3HG2  THR  49          HG23      THR  49  13.162  -7.362  -2.104
  507    H    ARG  50           HN       ARG  50  17.006  -8.860   1.368
  508    HA   ARG  50           HA       ARG  50  18.815 -10.209   1.104
  509   1HB   ARG  50          HB1       ARG  50  17.249 -10.585  -1.080
  510   2HB   ARG  50          HB2       ARG  50  18.757 -10.104  -1.846
  511   1HG   ARG  50          HG1       ARG  50  18.765 -12.221   0.259
  512   2HG   ARG  50          HG2       ARG  50  18.282 -12.610  -1.394
  513   1HD   ARG  50          HD1       ARG  50  20.501 -12.997  -1.623
  514   2HD   ARG  50          HD2       ARG  50  20.528 -11.258  -1.914
  515    HE   ARG  50           HE       ARG  50  20.853 -11.419   0.758
  516   1HH1  ARG  50          HH12      ARG  50  22.446 -12.972  -1.922
  517   2HH1  ARG  50          HH11      ARG  50  23.966 -13.115  -1.104
  518   1HH2  ARG  50          HH21      ARG  50  22.849 -11.601   1.844
  519   2HH2  ARG  50          HH22      ARG  50  24.196 -12.335   1.038
  520    H    LYS  51           HN       LYS  51  19.105  -7.191   0.874
  521    HA   LYS  51           HA       LYS  51  20.709  -5.635   0.403
  522   1HB   LYS  51          HB1       LYS  51  21.833  -7.762   1.790
  523   2HB   LYS  51          HB2       LYS  51  22.964  -7.480   0.473
  524   1HG   LYS  51          HG2       LYS  51  22.065  -5.056   1.855
  525   2HG   LYS  51          HG1       LYS  51  22.996  -6.179   2.849
  526   1HD   LYS  51          HD2       LYS  51  24.768  -5.104   1.966
  527   2HD   LYS  51          HD1       LYS  51  24.478  -6.163   0.584
  528   1HE   LYS  51          HE2       LYS  51  24.391  -4.259  -0.595
  529   2HE   LYS  51          HE1       LYS  51  22.764  -4.113   0.069
  530   1HZ   LYS  51          HZ1       LYS  51  23.608  -2.105   0.660
  531   2HZ   LYS  51          HZ2       LYS  51  25.201  -2.663   0.784
  532   3HZ   LYS  51          HZ3       LYS  51  24.094  -2.985   2.021
  533    H    ARG  52           HN       ARG  52  19.623  -7.164  -1.884
  534    HA   ARG  52           HA       ARG  52  21.587  -6.315  -3.837
  535   1HB   ARG  52          HB1       ARG  52  20.789  -9.185  -3.452
  536   2HB   ARG  52          HB2       ARG  52  21.256  -8.593  -5.040
  537   1HG   ARG  52          HG1       ARG  52  23.373  -7.728  -3.850
  538   2HG   ARG  52          HG2       ARG  52  22.909  -8.843  -2.562
  539   1HD   ARG  52          HD2       ARG  52  23.998 -10.413  -3.709
  540   2HD   ARG  52          HD1       ARG  52  22.654 -10.363  -4.849
  541    HE   ARG  52           HE       ARG  52  24.565  -8.365  -5.466
  542   1HH1  ARG  52          HH21      ARG  52  24.014 -11.798  -5.652
  543   2HH1  ARG  52          HH22      ARG  52  25.039 -12.020  -7.031
  544   1HH2  ARG  52          HH12      ARG  52  25.916  -8.643  -7.282
  545   2HH2  ARG  52          HH11      ARG  52  26.120 -10.225  -7.958
  546    H    ASP  53           HN       ASP  53  18.541  -8.120  -3.441
  547    HA   ASP  53           HA       ASP  53  17.484  -7.103  -5.917
  548   1HB   ASP  53          HB2       ASP  53  16.547  -8.963  -3.786
  549   2HB   ASP  53          HB1       ASP  53  15.320  -8.199  -4.796
  550    H    SER  54           HN       SER  54  16.312  -5.322  -6.217
  551    HA   SER  54           HA       SER  54  15.255  -3.943  -3.838
  552   1HB   SER  54          HB2       SER  54  15.948  -2.394  -6.299
  553   2HB   SER  54          HB1       SER  54  15.984  -1.891  -4.610
  554    HG   SER  54           HG       SER  54  17.812  -3.412  -4.428
  555    H    VAL  55           HN       VAL  55  13.149  -4.564  -3.927
  556    HA   VAL  55           HA       VAL  55  11.669  -4.547  -6.419
  557    HB   VAL  55           HB       VAL  55   9.880  -4.562  -4.167
  558   1HG1  VAL  55          HG21      VAL  55  10.529  -6.183  -6.521
  559   2HG1  VAL  55          HG22      VAL  55   8.965  -5.678  -5.880
  560   3HG1  VAL  55          HG23      VAL  55   9.800  -7.066  -5.179
  561   1HG2  VAL  55          HG11      VAL  55  11.625  -5.359  -2.763
  562   2HG2  VAL  55          HG12      VAL  55  12.154  -6.522  -3.979
  563   3HG2  VAL  55          HG13      VAL  55  10.596  -6.728  -3.177
  564    H    LYS  56           HN       LYS  56  12.135  -2.327  -6.968
  565    HA   LYS  56           HA       LYS  56  10.721  -0.363  -5.322
  566   1HB   LYS  56          HB1       LYS  56  12.106   1.327  -6.262
  567   2HB   LYS  56          HB2       LYS  56  13.145  -0.003  -5.772
  568   1HG   LYS  56          HG1       LYS  56  14.038   0.175  -7.784
  569   2HG   LYS  56          HG2       LYS  56  12.579  -0.623  -8.376
  570   1HD   LYS  56          HD1       LYS  56  12.219   1.188  -9.622
  571   2HD   LYS  56          HD2       LYS  56  11.870   2.054  -8.125
  572   1HE   LYS  56          HE2       LYS  56  13.571   3.391  -8.668
  573   2HE   LYS  56          HE1       LYS  56  14.621   2.046  -8.220
  574   1HZ   LYS  56          HZ1       LYS  56  15.369   2.312 -10.306
  575   2HZ   LYS  56          HZ2       LYS  56  13.965   3.086 -10.846
  576   3HZ   LYS  56          HZ3       LYS  56  14.010   1.399 -10.732
  577    H    TRP  57           HN       TRP  57   8.833   0.356  -5.962
  578    HA   TRP  57           HA       TRP  57   8.073   0.093  -8.791
  579   1HB   TRP  57          HB2       TRP  57   6.343   0.729  -6.388
  580   2HB   TRP  57          HB1       TRP  57   5.770   0.471  -8.032
  581    HD1  TRP  57           HD1      TRP  57   5.290  -1.985  -8.756
  582    HE1  TRP  57           HE1      TRP  57   5.427  -4.262  -7.568
  583    HE3  TRP  57           HE3      TRP  57   7.825  -0.562  -4.577
  584    HZ2  TRP  57           HZ2      TRP  57   6.472  -5.306  -5.154
  585    HZ3  TRP  57           HZ3      TRP  57   8.335  -2.208  -2.880
  586    HH2  TRP  57           HH2      TRP  57   7.691  -4.557  -3.152
  587    H    HIS  58           HN       HIS  58   6.278   2.012  -9.187
  588    HA   HIS  58           HA       HIS  58   7.887   4.443  -8.985
  589   1HB   HIS  58          HB1       HIS  58   6.854   3.490 -11.176
  590   2HB   HIS  58          HB2       HIS  58   5.362   4.215 -10.589
  591    HD1  HIS  58           HD1      HIS  58   5.401   5.891 -12.589
  592    HD2  HIS  58           HD2      HIS  58   8.642   6.205 -10.007
  593    HE1  HIS  58           HE1      HIS  58   6.511   8.073 -13.165
  594    HE2  HIS  58           HE2      HIS  58   8.470   8.244 -11.590
  595    H    TYR  59           HN       TYR  59   6.431   3.448  -6.689
  596    HA   TYR  59           HA       TYR  59   5.280   4.344  -4.942
  597   1HB   TYR  59          HB1       TYR  59   5.968   6.606  -6.555
  598   2HB   TYR  59          HB2       TYR  59   4.375   6.860  -5.865
  599    HD1  TYR  59           HD1      TYR  59   7.053   8.328  -5.336
  600    HD2  TYR  59           HD2      TYR  59   4.965   5.254  -3.300
  601    HE1  TYR  59           HE1      TYR  59   8.117   9.018  -3.230
  602    HE2  TYR  59           HE2      TYR  59   6.024   5.902  -1.188
  603    HH   TYR  59           HH       TYR  59   7.977   8.823  -0.952
  604    H    LEU  60           HN       LEU  60   3.576   6.125  -7.469
  605    HA   LEU  60           HA       LEU  60   1.085   5.097  -6.490
  606   1HB   LEU  60          HB2       LEU  60   0.038   6.682  -7.914
  607   2HB   LEU  60          HB1       LEU  60   1.448   7.464  -7.225
  608    HG   LEU  60           HG       LEU  60   1.824   6.173  -9.864
  609   1HD1  LEU  60          HD11      LEU  60   0.852   8.793 -10.342
  610   2HD1  LEU  60          HD12      LEU  60  -0.367   7.911  -9.421
  611   3HD1  LEU  60          HD13      LEU  60   0.229   7.258 -10.947
  612   1HD2  LEU  60          HD21      LEU  60   2.734   8.806  -9.837
  613   2HD2  LEU  60          HD22      LEU  60   3.694   7.343  -9.618
  614   3HD2  LEU  60          HD23      LEU  60   3.048   8.192  -8.214
  615    H    CYS  61           HN       CYS  61   3.248   3.660  -8.417
  616    HA   CYS  61           HA       CYS  61   1.686   2.805 -10.632
  617   1HB   CYS  61          HB2       CYS  61   4.171   2.680 -10.544
  618   2HB   CYS  61          HB1       CYS  61   4.036   1.412  -9.331
  619    HG   CYS  61           HG       CYS  61   2.963   0.985 -12.219
  620    H    LEU  62           HN       LEU  62   1.424   2.155  -7.350
  621    HA   LEU  62           HA       LEU  62   0.799  -0.546  -7.235
  622   1HB   LEU  62          HB2       LEU  62  -0.462   1.614  -5.555
  623   2HB   LEU  62          HB1       LEU  62  -0.191  -0.060  -5.113
  624    HG   LEU  62           HG       LEU  62   2.229   1.518  -5.771
  625   1HD1  LEU  62          HD11      LEU  62   0.716   3.040  -4.414
  626   2HD1  LEU  62          HD12      LEU  62   2.319   2.715  -3.752
  627   3HD1  LEU  62          HD13      LEU  62   0.908   1.880  -3.100
  628   1HD2  LEU  62          HD21      LEU  62   1.548  -0.401  -3.559
  629   2HD2  LEU  62          HD22      LEU  62   3.148   0.233  -3.947
  630   3HD2  LEU  62          HD23      LEU  62   2.319  -0.828  -5.088
  631    H    ARG  63           HN       ARG  63  -1.899  -0.232  -5.979
  632    HA   ARG  63           HA       ARG  63  -3.651   0.473  -8.113
  633   1HB   ARG  63          HB2       ARG  63  -2.751  -2.207  -7.943
  634   2HB   ARG  63          HB1       ARG  63  -4.413  -2.189  -7.366
  635   1HG   ARG  63          HG2       ARG  63  -3.378  -1.293 -10.037
  636   2HG   ARG  63          HG1       ARG  63  -4.489  -2.613  -9.678
  637   1HD   ARG  63          HD2       ARG  63  -6.047  -0.839  -8.732
  638   2HD   ARG  63          HD1       ARG  63  -4.992   0.345  -9.505
  639    HE   ARG  63           HE       ARG  63  -5.618  -1.402 -11.501
  640   1HH1  ARG  63          HH11      ARG  63  -7.464   0.523  -9.262
  641   2HH1  ARG  63          HH12      ARG  63  -8.804   0.726 -10.340
  642   1HH2  ARG  63          HH21      ARG  63  -7.377  -1.142 -12.929
  643   2HH2  ARG  63          HH22      ARG  63  -8.755  -0.221 -12.426
  644    H    ARG  64           HN       ARG  64  -3.262  -1.216  -5.039
  645    HA   ARG  64           HA       ARG  64  -5.056   0.590  -3.759
  646   1HB   ARG  64          HB1       ARG  64  -6.045  -2.072  -3.124
  647   2HB   ARG  64          HB2       ARG  64  -6.922  -0.621  -3.509
  648   1HG   ARG  64          HG2       ARG  64  -7.025  -1.077  -5.751
  649   2HG   ARG  64          HG1       ARG  64  -5.631  -2.161  -5.702
  650   1HD   ARG  64          HD2       ARG  64  -7.370  -3.415  -4.021
  651   2HD   ARG  64          HD1       ARG  64  -8.467  -2.706  -5.205
  652    HE   ARG  64           HE       ARG  64  -6.220  -4.125  -6.333
  653   1HH1  ARG  64          HH11      ARG  64  -9.518  -4.335  -5.226
  654   2HH1  ARG  64          HH12      ARG  64  -9.878  -5.745  -6.164
  655   1HH2  ARG  64          HH21      ARG  64  -6.686  -5.981  -7.570
  656   2HH2  ARG  64          HH22      ARG  64  -8.269  -6.680  -7.496
  657    H    TYR  65           HN       TYR  65  -4.057   1.031  -1.907
  658    HA   TYR  65           HA       TYR  65  -2.434  -1.085  -0.681
  659   1HB   TYR  65          HB1       TYR  65  -0.664   0.289  -0.650
  660   2HB   TYR  65          HB2       TYR  65  -1.572   1.301  -1.759
  661    HD1  TYR  65           HD1      TYR  65  -3.398   2.856  -0.257
  662    HD2  TYR  65           HD2      TYR  65   0.479   1.509   0.904
  663    HE1  TYR  65           HE1      TYR  65  -3.223   4.721   1.327
  664    HE2  TYR  65           HE2      TYR  65   0.652   3.374   2.491
  665    HH   TYR  65           HH       TYR  65  -0.253   5.438   3.011
  666    H    GLY  66           HN       GLY  66  -2.613  -1.528   1.429
  667   1HA   GLY  66          HA2       GLY  66  -4.187   0.258   3.142
  668   2HA   GLY  66          HA1       GLY  66  -4.701  -1.412   2.981
  669    H    TYR  67           HN       TYR  67  -4.316  -1.038   5.440
  670    HA   TYR  67           HA       TYR  67  -1.986  -2.522   6.105
  671   1HB   TYR  67          HB1       TYR  67  -0.709  -0.962   7.321
  672   2HB   TYR  67          HB2       TYR  67  -1.116  -0.130   5.826
  673    HD1  TYR  67           HD1      TYR  67  -0.535   0.604   9.003
  674    HD2  TYR  67           HD2      TYR  67  -3.780   0.889   6.267
  675    HE1  TYR  67           HE1      TYR  67  -1.463   2.468  10.309
  676    HE2  TYR  67           HE2      TYR  67  -4.717   2.754   7.565
  677    HH   TYR  67           HH       TYR  67  -3.429   4.599   9.331
  678    H    ASP  68           HN       ASP  68  -2.043  -3.369   8.189
  679    HA   ASP  68           HA       ASP  68  -4.463  -2.728   9.744
  680   1HB   ASP  68          HB2       ASP  68  -4.662  -4.908   8.583
  681   2HB   ASP  68          HB1       ASP  68  -3.202  -5.459   9.398
  682    H    SER  69           HN       SER  69  -3.635  -1.535  11.372
  683    HA   SER  69           HA       SER  69  -2.467  -0.973  13.240
  684   1HB   SER  69          HB2       SER  69  -3.411  -2.866  14.300
  685   2HB   SER  69          HB1       SER  69  -2.398  -3.984  13.386
  686    HG   SER  69           HG       SER  69  -1.415  -2.109  15.274
  687    H    ASN  70           HN       ASN  70  -0.515  -3.854  12.642
  688    HA   ASN  70           HA       ASN  70   1.760  -2.097  11.998
  689   1HB   ASN  70          HB2       ASN  70   1.479  -4.239  14.018
  690   2HB   ASN  70          HB1       ASN  70   2.974  -4.269  13.088
  691   1HD2  ASN  70          HD21      ASN  70   2.563  -3.711  15.905
  692   2HD2  ASN  70          HD22      ASN  70   3.206  -2.132  16.186
  693    H    LEU  71           HN       LEU  71   0.057  -3.274  10.069
  694    HA   LEU  71           HA       LEU  71   1.930  -5.173   8.817
  695   1HB   LEU  71          HB2       LEU  71  -0.161  -6.256   9.678
  696   2HB   LEU  71          HB1       LEU  71  -1.077  -5.257   8.566
  697    HG   LEU  71           HG       LEU  71   1.065  -7.165   7.643
  698   1HD1  LEU  71          HD11      LEU  71  -1.746  -7.915   7.255
  699   2HD1  LEU  71          HD12      LEU  71  -1.174  -8.000   8.921
  700   3HD1  LEU  71          HD13      LEU  71  -0.346  -8.910   7.657
  701   1HD2  LEU  71          HD21      LEU  71   0.668  -5.714   5.901
  702   2HD2  LEU  71          HD22      LEU  71  -1.025  -5.484   6.336
  703   3HD2  LEU  71          HD23      LEU  71  -0.507  -6.987   5.572
  704    H    PHE  72           HN       PHE  72   2.757  -4.373   7.015
  705    HA   PHE  72           HA       PHE  72   1.471  -2.156   5.650
  706   1HB   PHE  72          HB1       PHE  72   3.806  -1.855   5.881
  707   2HB   PHE  72          HB2       PHE  72   4.153  -3.512   5.404
  708    HD1  PHE  72           HD1      PHE  72   2.173  -0.771   3.822
  709    HD2  PHE  72           HD2      PHE  72   5.389  -3.535   3.471
  710    HE1  PHE  72           HE1      PHE  72   2.556  -0.026   1.508
  711    HE2  PHE  72           HE2      PHE  72   5.777  -2.796   1.157
  712    HZ   PHE  72           HZ       PHE  72   4.360  -1.039   0.172
  713    H    SER  73           HN       SER  73  -0.099  -2.635   4.239
  714    HA   SER  73           HA       SER  73   0.309  -4.952   2.464
  715   1HB   SER  73          HB1       SER  73  -1.970  -5.399   2.443
  716   2HB   SER  73          HB2       SER  73  -1.739  -4.853   4.104
  717    HG   SER  73           HG       SER  73  -2.921  -3.518   1.934
  718    H    PHE  74           HN       PHE  74   0.498  -4.555   0.347
  719    HA   PHE  74           HA       PHE  74  -0.684  -2.200  -0.819
  720   1HB   PHE  74          HB1       PHE  74   1.279  -1.122  -1.591
  721   2HB   PHE  74          HB2       PHE  74   1.557  -1.445   0.116
  722    HD1  PHE  74           HD1      PHE  74   2.379  -4.250   0.099
  723    HD2  PHE  74           HD2      PHE  74   3.389  -1.081  -2.551
  724    HE1  PHE  74           HE1      PHE  74   4.450  -5.386  -0.457
  725    HE2  PHE  74           HE2      PHE  74   5.485  -2.234  -3.128
  726    HZ   PHE  74           HZ       PHE  74   6.030  -4.393  -2.052
  727    H    GLU  75           HN       GLU  75  -1.258  -2.547  -2.882
  728    HA   GLU  75           HA       GLU  75  -0.179  -4.952  -4.199
  729   1HB   GLU  75          HB2       GLU  75  -2.418  -5.431  -3.410
  730   2HB   GLU  75          HB1       GLU  75  -3.034  -3.960  -4.149
  731   1HG   GLU  75          HG2       GLU  75  -1.700  -5.949  -5.901
  732   2HG   GLU  75          HG1       GLU  75  -3.310  -6.322  -5.287
  733    H    SER  76           HN       SER  76   0.632  -4.655  -6.159
  734    HA   SER  76           HA       SER  76  -0.102  -2.206  -7.621
  735   1HB   SER  76          HB2       SER  76   2.202  -2.251  -8.573
  736   2HB   SER  76          HB1       SER  76   2.186  -2.025  -6.824
  737    HG   SER  76           HG       SER  76   3.160  -4.115  -8.325
  738    H    GLY  77           HN       GLY  77  -0.590  -2.373  -9.759
  739   1HA   GLY  77          HA1       GLY  77  -1.522  -4.807 -10.769
  740   2HA   GLY  77          HA2       GLY  77  -1.224  -3.366 -11.728
  741    H    ARG  78           HN       ARG  78  -0.797  -5.589 -13.038
  742    HA   ARG  78           HA       ARG  78   1.624  -6.924 -12.768
  743   1HB   ARG  78          HB2       ARG  78  -0.481  -7.021 -14.527
  744   2HB   ARG  78          HB1       ARG  78   0.821  -6.427 -15.548
  745   1HG   ARG  78          HG2       ARG  78   2.136  -8.422 -14.419
  746   2HG   ARG  78          HG1       ARG  78   0.500  -9.055 -14.215
  747   1HD   ARG  78          HD1       ARG  78   0.855  -7.985 -16.862
  748   2HD   ARG  78          HD2       ARG  78   2.101  -9.180 -16.505
  749    HE   ARG  78           HE       ARG  78  -0.148 -10.426 -15.708
  750   1HH1  ARG  78          HH11      ARG  78   0.712  -8.768 -18.647
  751   2HH1  ARG  78          HH12      ARG  78  -0.310  -9.743 -19.650
  752   1HH2  ARG  78          HH22      ARG  78  -1.499 -11.717 -17.021
  753   2HH2  ARG  78          HH21      ARG  78  -1.567 -11.418 -18.726
  754    H    ARG  79           HN       ARG  79   3.689  -6.411 -13.135
  755    HA   ARG  79           HA       ARG  79   4.426  -4.349 -15.013
  756   1HB   ARG  79          HB2       ARG  79   3.927  -2.981 -13.070
  757   2HB   ARG  79          HB1       ARG  79   4.945  -3.994 -12.056
  758   1HG   ARG  79          HG2       ARG  79   6.187  -2.046 -12.521
  759   2HG   ARG  79          HG1       ARG  79   6.879  -3.325 -13.521
  760   1HD   ARG  79          HD1       ARG  79   4.711  -1.820 -14.798
  761   2HD   ARG  79          HD2       ARG  79   6.143  -0.861 -14.423
  762    HE   ARG  79           HE       ARG  79   6.706  -3.355 -15.749
  763   1HH1  ARG  79          HH12      ARG  79   5.925   0.013 -16.159
  764   2HH1  ARG  79          HH11      ARG  79   6.601   0.110 -17.751
  765   1HH2  ARG  79          HH21      ARG  79   7.599  -3.240 -17.844
  766   2HH2  ARG  79          HH22      ARG  79   7.553  -1.740 -18.708
  767    H    CYS  80           HN       CYS  80   6.064  -5.617 -12.117
  768    HA   CYS  80           HA       CYS  80   7.550  -7.621 -13.364
  769   1HB   CYS  80          HB2       CYS  80   8.372  -5.146 -14.271
  770   2HB   CYS  80          HB1       CYS  80   9.524  -5.490 -12.986
  771    HG   CYS  80           HG       CYS  80   9.246  -7.105 -15.607
  772    H    GLN  81           HN       GLN  81  10.082  -7.111 -12.024
  773    HA   GLN  81           HA       GLN  81  11.106  -7.340 -10.015
  774   1HB   GLN  81          HB2       GLN  81   8.742  -5.732  -9.347
  775   2HB   GLN  81          HB1       GLN  81   9.369  -6.671  -8.003
  776   1HG   GLN  81          HG1       GLN  81  10.349  -4.479  -7.994
  777   2HG   GLN  81          HG2       GLN  81  11.586  -5.676  -8.373
  778   1HE2  GLN  81          HE21      GLN  81   9.691  -3.033  -9.564
  779   2HE2  GLN  81          HE22      GLN  81  10.568  -2.793 -11.033
  780    H    THR  82           HN       THR  82   7.897  -7.923  -8.665
  781    HA   THR  82           HA       THR  82   8.718 -10.703  -8.173
  782    HB   THR  82           HB       THR  82   7.257 -10.702  -6.273
  783    HG1  THR  82           HG1      THR  82   6.445  -8.069  -6.883
  784   1HG2  THR  82          HG21      THR  82   9.451  -9.179  -6.306
  785   2HG2  THR  82          HG22      THR  82   8.429  -9.389  -4.883
  786   3HG2  THR  82          HG23      THR  82   8.243  -7.961  -5.904
  787    H    GLY  83           HN       GLY  83   6.046  -8.700  -9.331
  788   1HA   GLY  83          HA2       GLY  83   5.029  -9.895 -11.370
  789   2HA   GLY  83          HA1       GLY  83   4.650 -11.145 -10.195
  790    H    GLN  84           HN       GLN  84   2.443 -10.733 -10.988
  791    HA   GLN  84           HA       GLN  84   1.218  -8.273  -9.997
  792   1HB   GLN  84          HB1       GLN  84   0.793  -9.752 -12.275
  793   2HB   GLN  84          HB2       GLN  84  -0.530 -10.275 -11.242
  794   1HG   GLN  84          HG1       GLN  84  -0.031  -7.367 -11.451
  795   2HG   GLN  84          HG2       GLN  84  -0.715  -8.183 -12.856
  796   1HE2  GLN  84          HE22      GLN  84  -2.664  -9.466 -12.488
  797   2HE2  GLN  84          HE21      GLN  84  -3.804  -8.924 -11.308
  798    H    GLY  85           HN       GLY  85  -0.304  -8.201  -8.385
  799   1HA   GLY  85          HA1       GLY  85  -1.986  -9.819  -7.246
  800   2HA   GLY  85          HA2       GLY  85  -0.511 -10.636  -6.755
  801    H    ILE  86           HN       ILE  86  -1.797 -10.098  -4.676
  802    HA   ILE  86           HA       ILE  86  -1.330  -7.393  -3.692
  803    HB   ILE  86           HB       ILE  86  -2.658  -9.793  -2.423
  804   1HG1  ILE  86          HG11      ILE  86  -3.749  -7.203  -3.548
  805   2HG1  ILE  86          HG12      ILE  86  -3.942  -8.809  -4.244
  806   1HG2  ILE  86          HG21      ILE  86  -1.982  -8.715  -0.531
  807   2HG2  ILE  86          HG22      ILE  86  -3.481  -7.840  -0.845
  808   3HG2  ILE  86          HG23      ILE  86  -1.934  -7.133  -1.311
  809   1HD1  ILE  86          HD11      ILE  86  -5.668  -9.288  -2.928
  810   2HD1  ILE  86          HD12      ILE  86  -5.731  -7.553  -2.616
  811   3HD1  ILE  86          HD13      ILE  86  -4.883  -8.621  -1.497
  812    H    PHE  87           HN       PHE  87  -0.067  -6.920  -1.865
  813    HA   PHE  87           HA       PHE  87   1.948  -8.972  -1.216
  814   1HB   PHE  87          HB2       PHE  87   2.356  -5.995  -1.144
  815   2HB   PHE  87          HB1       PHE  87   3.585  -7.239  -1.004
  816    HD1  PHE  87           HD1      PHE  87   2.960  -4.766  -2.991
  817    HD2  PHE  87           HD2      PHE  87   2.887  -9.013  -3.245
  818    HE1  PHE  87           HE1      PHE  87   3.372  -4.623  -5.410
  819    HE2  PHE  87           HE2      PHE  87   3.298  -8.877  -5.668
  820    HZ   PHE  87           HZ       PHE  87   3.543  -6.676  -6.749
  821    H    ALA  88           HN       ALA  88   2.469  -9.310   0.890
  822    HA   ALA  88           HA       ALA  88   1.063  -7.689   2.913
  823   1HB   ALA  88          HB1       ALA  88   1.076  -9.770   4.319
  824   2HB   ALA  88          HB2       ALA  88   1.581 -10.651   2.877
  825   3HB   ALA  88          HB3       ALA  88   0.025  -9.821   2.904
  826    H    PHE  89           HN       PHE  89   2.261  -6.874   4.554
  827    HA   PHE  89           HA       PHE  89   4.977  -7.883   4.921
  828   1HB   PHE  89          HB1       PHE  89   4.220  -5.134   4.069
  829   2HB   PHE  89          HB2       PHE  89   5.549  -5.292   5.209
  830    HD1  PHE  89           HD1      PHE  89   4.474  -5.715   1.793
  831    HD2  PHE  89           HD2      PHE  89   7.544  -6.622   4.593
  832    HE1  PHE  89           HE1      PHE  89   5.991  -6.273  -0.059
  833    HE2  PHE  89           HE2      PHE  89   9.068  -7.189   2.747
  834    HZ   PHE  89           HZ       PHE  89   8.291  -7.019   0.419
  835    H    LYS  90           HN       LYS  90   5.851  -7.598   6.973
  836    HA   LYS  90           HA       LYS  90   3.914  -6.721   9.015
  837   1HB   LYS  90          HB1       LYS  90   5.940  -8.955   9.109
  838   2HB   LYS  90          HB2       LYS  90   5.066  -8.389  10.515
  839   1HG   LYS  90          HG2       LYS  90   3.111  -9.335   9.841
  840   2HG   LYS  90          HG1       LYS  90   3.501  -9.192   8.127
  841   1HD   LYS  90          HD2       LYS  90   3.661 -11.480   8.512
  842   2HD   LYS  90          HD1       LYS  90   5.337 -10.935   8.643
  843   1HE   LYS  90          HE1       LYS  90   5.468 -11.668  10.726
  844   2HE   LYS  90          HE2       LYS  90   4.056 -10.720  11.186
  845   1HZ   LYS  90          HZ1       LYS  90   3.495 -13.150   9.710
  846   2HZ   LYS  90          HZ2       LYS  90   2.714 -12.500  11.062
  847   3HZ   LYS  90          HZ3       LYS  90   4.144 -13.382  11.255
  848    H    CYS  91           HN       CYS  91   4.534  -4.839   9.847
  849    HA   CYS  91           HA       CYS  91   7.275  -4.551  10.800
  850   1HB   CYS  91          HB1       CYS  91   7.483  -2.296   9.815
  851   2HB   CYS  91          HB2       CYS  91   7.335  -3.540   8.580
  852    HG   CYS  91           HG       CYS  91   5.422  -2.327   7.689
  853    H    ALA  92           HN       ALA  92   7.499  -2.501  12.130
  854    HA   ALA  92           HA       ALA  92   5.116  -2.247  13.812
  855   1HB   ALA  92          HB1       ALA  92   6.963  -0.960  15.236
  856   2HB   ALA  92          HB2       ALA  92   8.028  -1.981  14.270
  857   3HB   ALA  92          HB3       ALA  92   6.781  -2.714  15.279
  858    H    ARG  93           HN       ARG  93   7.072  -0.471  11.589
  859    HA   ARG  93           HA       ARG  93   5.941   2.088  12.423
  860   1HB   ARG  93          HB2       ARG  93   8.131   1.280  10.533
  861   2HB   ARG  93          HB1       ARG  93   7.430   2.890  10.447
  862   1HG   ARG  93          HG2       ARG  93   8.783   3.549  12.064
  863   2HG   ARG  93          HG1       ARG  93   8.025   2.391  13.159
  864   1HD   ARG  93          HD2       ARG  93   9.764   0.912  11.517
  865   2HD   ARG  93          HD1       ARG  93  10.653   2.351  12.013
  866    HE   ARG  93           HE       ARG  93   9.448   1.348  14.291
  867   1HH1  ARG  93          HH22      ARG  93  11.782   0.277  11.939
  868   2HH1  ARG  93          HH21      ARG  93  12.634  -0.739  13.054
  869   1HH2  ARG  93          HH11      ARG  93  10.561   0.013  15.769
  870   2HH2  ARG  93          HH12      ARG  93  11.939  -0.889  15.232
  871    H    ALA  94           HN       ALA  94   4.352  -0.086  11.165
  872    HA   ALA  94           HA       ALA  94   3.730   0.309   8.516
  873   1HB   ALA  94          HB1       ALA  94   1.868  -0.948   8.889
  874   2HB   ALA  94          HB2       ALA  94   1.464  -0.109  10.387
  875   3HB   ALA  94          HB3       ALA  94   2.756  -1.309  10.369
  876    H    GLU  95           HN       GLU  95   2.698   2.186  11.317
  877    HA   GLU  95           HA       GLU  95   0.775   3.776  10.045
  878   1HB   GLU  95          HB1       GLU  95   1.867   3.600  12.603
  879   2HB   GLU  95          HB2       GLU  95   2.265   5.227  12.069
  880   1HG   GLU  95          HG1       GLU  95   0.086   5.893  12.004
  881   2HG   GLU  95          HG2       GLU  95  -0.517   4.268  11.680
  882    H    GLU  96           HN       GLU  96   4.174   4.492  10.731
  883    HA   GLU  96           HA       GLU  96   4.494   6.934   9.527
  884   1HB   GLU  96          HB1       GLU  96   6.326   4.542   9.310
  885   2HB   GLU  96          HB2       GLU  96   6.815   6.223   9.094
  886   1HG   GLU  96          HG1       GLU  96   5.991   4.828  11.616
  887   2HG   GLU  96          HG2       GLU  96   7.510   5.647  11.255
  888    H    LEU  97           HN       LEU  97   5.169   3.849   7.885
  889    HA   LEU  97           HA       LEU  97   5.562   4.793   5.345
  890   1HB   LEU  97          HB2       LEU  97   5.946   2.487   5.938
  891   2HB   LEU  97          HB1       LEU  97   4.238   2.233   6.226
  892    HG   LEU  97           HG       LEU  97   5.171   3.065   3.509
  893   1HD1  LEU  97          HD11      LEU  97   6.549   1.111   4.297
  894   2HD1  LEU  97          HD12      LEU  97   5.577   0.822   2.854
  895   3HD1  LEU  97          HD13      LEU  97   5.045   0.198   4.415
  896   1HD2  LEU  97          HD21      LEU  97   2.750   2.141   4.793
  897   2HD2  LEU  97          HD22      LEU  97   3.152   1.195   3.358
  898   3HD2  LEU  97          HD23      LEU  97   2.971   2.945   3.237
  899    H    PHE  98           HN       PHE  98   2.425   3.432   6.437
  900    HA   PHE  98           HA       PHE  98   0.864   4.207   4.344
  901   1HB   PHE  98          HB1       PHE  98   0.399   3.054   6.768
  902   2HB   PHE  98          HB2       PHE  98  -0.403   4.611   6.976
  903    HD1  PHE  98           HD1      PHE  98  -0.073   1.963   4.395
  904    HD2  PHE  98           HD2      PHE  98  -2.608   4.740   6.376
  905    HE1  PHE  98           HE1      PHE  98  -1.970   1.153   3.084
  906    HE2  PHE  98           HE2      PHE  98  -4.523   3.934   5.063
  907    HZ   PHE  98           HZ       PHE  98  -4.207   2.142   3.409
  908    H    ASN  99           HN       ASN  99   0.846   6.039   7.397
  909    HA   ASN  99           HA       ASN  99  -0.445   8.298   6.692
  910   1HB   ASN  99          HB2       ASN  99   1.314   7.549   8.767
  911   2HB   ASN  99          HB1       ASN  99   1.918   9.086   8.156
  912   1HD2  ASN  99          HD22      ASN  99  -0.543   7.490   9.920
  913   2HD2  ASN  99          HD21      ASN  99  -1.451   8.893  10.359
  914    H    MET 100           HN       MET 100   3.053   7.830   6.285
  915    HA   MET 100           HA       MET 100   3.658  10.212   5.031
  916   1HB   MET 100          HB1       MET 100   5.193   8.236   5.772
  917   2HB   MET 100          HB2       MET 100   4.943   7.658   4.130
  918   1HG   MET 100          HG1       MET 100   6.154   9.343   3.197
  919   2HG   MET 100          HG2       MET 100   5.780  10.479   4.491
  920   1HE   MET 100          HE1       MET 100   8.613   6.952   5.286
  921   2HE   MET 100          HE2       MET 100   7.429   6.992   3.978
  922   3HE   MET 100          HE3       MET 100   6.888   6.949   5.657
  923    H    LEU 101           HN       LEU 101   3.183   7.094   3.377
  924    HA   LEU 101           HA       LEU 101   3.032   7.832   0.788
  925   1HB   LEU 101          HB2       LEU 101   2.339   5.582   2.233
  926   2HB   LEU 101          HB1       LEU 101   0.844   6.023   1.429
  927    HG   LEU 101           HG       LEU 101   2.055   6.004  -0.744
  928   1HD1  LEU 101          HD11      LEU 101   4.294   6.419  -0.189
  929   2HD1  LEU 101          HD12      LEU 101   4.259   4.730  -0.702
  930   3HD1  LEU 101          HD13      LEU 101   4.322   5.130   1.015
  931   1HD2  LEU 101          HD21      LEU 101   0.802   4.071  -0.164
  932   2HD2  LEU 101          HD22      LEU 101   2.071   3.502   0.920
  933   3HD2  LEU 101          HD23      LEU 101   2.344   3.525  -0.822
  934    H    GLN 102           HN       GLN 102   0.208   7.825   2.976
  935    HA   GLN 102           HA       GLN 102  -1.707   8.798   1.248
  936   1HB   GLN 102          HB1       GLN 102  -1.339   9.405   4.187
  937   2HB   GLN 102          HB2       GLN 102  -2.794   9.784   3.277
  938   1HG   GLN 102          HG2       GLN 102  -2.977   7.339   2.744
  939   2HG   GLN 102          HG1       GLN 102  -1.670   7.069   3.897
  940   1HE2  GLN 102          HE22      GLN 102  -4.695   6.496   3.731
  941   2HE2  GLN 102          HE21      GLN 102  -5.263   6.945   5.299
  942    H    GLU 103           HN       GLU 103   0.815  10.527   2.965
  943    HA   GLU 103           HA       GLU 103  -0.093  13.124   2.141
  944   1HB   GLU 103          HB1       GLU 103   1.055  13.496   4.033
  945   2HB   GLU 103          HB2       GLU 103   1.976  12.013   3.876
  946   1HG   GLU 103          HG1       GLU 103   3.557  13.721   3.848
  947   2HG   GLU 103          HG2       GLU 103   3.365  13.234   2.168
  948    H    ILE 104           HN       ILE 104   2.416  10.858   1.138
  949    HA   ILE 104           HA       ILE 104   3.703  12.483  -0.741
  950    HB   ILE 104           HB       ILE 104   3.390   9.535  -1.199
  951   1HG1  ILE 104          HG12      ILE 104   4.901  10.905   1.020
  952   2HG1  ILE 104          HG11      ILE 104   3.822   9.520   1.113
  953   1HG2  ILE 104          HG21      ILE 104   5.193   9.739  -2.508
  954   2HG2  ILE 104          HG22      ILE 104   6.026  10.788  -1.360
  955   3HG2  ILE 104          HG23      ILE 104   4.838  11.467  -2.474
  956   1HD1  ILE 104          HD11      ILE 104   5.607   8.323  -0.306
  957   2HD1  ILE 104          HD12      ILE 104   5.882   8.566   1.419
  958   3HD1  ILE 104          HD13      ILE 104   6.664   9.624   0.244
  959    H    MET 105           HN       MET 105   0.666  10.854  -0.848
  960    HA   MET 105           HA       MET 105   0.418  10.856  -3.709
  961   1HB   MET 105          HB2       MET 105  -1.722  10.492  -1.605
  962   2HB   MET 105          HB1       MET 105  -1.842  10.055  -3.304
  963   1HG   MET 105          HG2       MET 105   0.415   8.854  -1.860
  964   2HG   MET 105          HG1       MET 105  -1.183   8.343  -1.322
  965   1HE   MET 105          HE1       MET 105   0.618   5.679  -3.712
  966   2HE   MET 105          HE2       MET 105  -0.571   5.547  -2.413
  967   3HE   MET 105          HE3       MET 105   0.879   6.528  -2.190
  968    H    GLN 106           HN       GLN 106  -0.789  12.848  -1.045
  969    HA   GLN 106           HA       GLN 106  -2.473  14.491  -2.582
  970   1HB   GLN 106          HB2       GLN 106  -1.084  15.540  -0.151
  971   2HB   GLN 106          HB1       GLN 106  -2.746  15.737  -0.663
  972   1HG   GLN 106          HG2       GLN 106  -2.724  13.094  -0.207
  973   2HG   GLN 106          HG1       GLN 106  -1.525  13.634   0.963
  974   1HE2  GLN 106          HE22      GLN 106  -2.551  13.522   2.846
  975   2HE2  GLN 106          HE21      GLN 106  -4.049  14.299   3.214
  976    H    ASN 107           HN       ASN 107   0.951  14.424  -2.110
  977    HA   ASN 107           HA       ASN 107   1.469  17.123  -2.866
  978   1HB   ASN 107          HB1       ASN 107   2.961  15.006  -1.820
  979   2HB   ASN 107          HB2       ASN 107   3.663  15.301  -3.409
  980   1HD2  ASN 107          HD22      ASN 107   2.804  16.812  -0.356
  981   2HD2  ASN 107          HD21      ASN 107   3.967  18.086  -0.448
  982    H    ASN 108           HN       ASN 108   1.097  14.106  -4.592
  983    HA   ASN 108           HA       ASN 108   1.630  15.534  -7.114
  984   1HB   ASN 108          HB1       ASN 108   2.896  13.270  -6.193
  985   2HB   ASN 108          HB2       ASN 108   1.653  12.604  -7.247
  986   1HD2  ASN 108          HD21      ASN 108   1.585  13.331  -9.445
  987   2HD2  ASN 108          HD22      ASN 108   3.033  13.865 -10.221
  988    H    SER 109           HN       SER 109  -0.901  15.149  -5.467
  989    HA   SER 109           HA       SER 109  -3.109  14.675  -5.782
  990   1HB   SER 109          HB1       SER 109  -2.041  15.712  -8.311
  991   2HB   SER 109          HB2       SER 109  -3.546  14.810  -8.490
  992    HG   SER 109           HG       SER 109  -3.098  17.265  -7.366
  993    H    ILE 110           HN       ILE 110  -1.141  12.426  -5.975
  994    HA   ILE 110           HA       ILE 110  -1.846  10.558  -7.914
  995    HB   ILE 110           HB       ILE 110  -1.042   9.952  -5.068
  996   1HG1  ILE 110          HG11      ILE 110   0.628  10.507  -7.530
  997   2HG1  ILE 110          HG12      ILE 110   0.579  11.458  -6.048
  998   1HG2  ILE 110          HG21      ILE 110  -1.842   7.978  -6.126
  999   2HG2  ILE 110          HG22      ILE 110  -0.083   7.897  -6.127
 1000   3HG2  ILE 110          HG23      ILE 110  -0.945   8.333  -7.603
 1001   1HD1  ILE 110          HD11      ILE 110   2.212  10.246  -5.195
 1002   2HD1  ILE 110          HD12      ILE 110   2.303   9.337  -6.703
 1003   3HD1  ILE 110          HD13      ILE 110   1.262   8.774  -5.395
 1004    H    ASN 111           HN       ASN 111  -3.099   8.545  -7.620
 1005    HA   ASN 111           HA       ASN 111  -5.695   9.167  -6.486
 1006   1HB   ASN 111          HB2       ASN 111  -5.042   6.576  -7.859
 1007   2HB   ASN 111          HB1       ASN 111  -6.561   7.459  -7.831
 1008   1HD2  ASN 111          HD22      ASN 111  -6.483   9.637  -8.904
 1009   2HD2  ASN 111          HD21      ASN 111  -5.604   9.745 -10.387
 1010    H    VAL 112           HN       VAL 112  -6.441   8.436  -4.629
 1011    HA   VAL 112           HA       VAL 112  -5.512   5.904  -3.553
 1012    HB   VAL 112           HB       VAL 112  -5.333   6.902  -1.250
 1013   1HG1  VAL 112          HG11      VAL 112  -3.294   6.220  -1.970
 1014   2HG1  VAL 112          HG12      VAL 112  -2.993   7.955  -1.880
 1015   3HG1  VAL 112          HG13      VAL 112  -3.360   7.205  -3.432
 1016   1HG2  VAL 112          HG21      VAL 112  -4.494   9.479  -2.285
 1017   2HG2  VAL 112          HG22      VAL 112  -5.431   9.071  -0.848
 1018   3HG2  VAL 112          HG23      VAL 112  -6.228   9.178  -2.418
 1019    H    VAL 113           HN       VAL 113  -7.837   6.109  -4.696
 1020    HA   VAL 113           HA       VAL 113 -10.039   7.156  -3.526
 1021    HB   VAL 113           HB       VAL 113 -11.332   5.213  -4.349
 1022   1HG1  VAL 113          HG21      VAL 113 -11.283   6.196  -6.348
 1023   2HG1  VAL 113          HG22      VAL 113  -9.656   5.589  -6.664
 1024   3HG1  VAL 113          HG23      VAL 113  -9.879   7.109  -5.795
 1025   1HG2  VAL 113          HG11      VAL 113  -9.070   3.999  -5.720
 1026   2HG2  VAL 113          HG12      VAL 113 -10.414   3.242  -4.862
 1027   3HG2  VAL 113          HG13      VAL 113  -9.007   3.814  -3.971
 1028    H    GLU 114           HN       GLU 114 -10.242   7.290  -1.379
 1029    HA   GLU 114           HA       GLU 114  -9.855   4.928   0.274
 1030   1HB   GLU 114          HB1       GLU 114 -10.771   7.522   1.419
 1031   2HB   GLU 114          HB2       GLU 114  -9.693   6.320   2.103
 1032   1HG   GLU 114          HG1       GLU 114  -7.904   7.028   0.667
 1033   2HG   GLU 114          HG2       GLU 114  -8.977   8.142  -0.178
 1034    H    GLU 115           HN       GLU 115 -11.443   3.699   1.000
 1035    HA   GLU 115           HA       GLU 115 -14.132   4.354   0.194
 1036   1HB   GLU 115          HB2       GLU 115 -12.808   1.876   1.233
 1037   2HB   GLU 115          HB1       GLU 115 -14.561   1.989   1.167
 1038   1HG   GLU 115          HG2       GLU 115 -14.030   2.747  -1.318
 1039   2HG   GLU 115          HG1       GLU 115 -12.568   1.802  -1.024
 1040    HA   PRO 116           HA       PRO 116 -15.070   3.913   4.901
 1041   1HB   PRO 116          HB1       PRO 116 -12.972   3.637   6.583
 1042   2HB   PRO 116          HB2       PRO 116 -13.853   2.276   5.889
 1043   1HG   PRO 116          HG1       PRO 116 -11.277   3.515   5.011
 1044   2HG   PRO 116          HG2       PRO 116 -11.674   1.795   5.174
 1045   1HD   PRO 116          HD2       PRO 116 -11.685   3.043   2.782
 1046   2HD   PRO 116          HD1       PRO 116 -12.844   1.758   3.173
 1047    H    VAL 117           HN       VAL 117 -15.626   5.889   5.257
 1048    HA   VAL 117           HA       VAL 117 -13.668   7.816   6.190
 1049    HB   VAL 117           HB       VAL 117 -15.628   8.903   4.239
 1050   1HG1  VAL 117          HG11      VAL 117 -12.762   9.673   4.355
 1051   2HG1  VAL 117          HG12      VAL 117 -13.787  10.078   5.734
 1052   3HG1  VAL 117          HG13      VAL 117 -14.195  10.677   4.126
 1053   1HG2  VAL 117          HG21      VAL 117 -14.889   7.250   2.787
 1054   2HG2  VAL 117          HG22      VAL 117 -13.259   7.247   3.461
 1055   3HG2  VAL 117          HG23      VAL 117 -13.791   8.587   2.446
 1056    H    VAL 118           HN       VAL 118 -15.634   6.281   7.427
 1057    HA   VAL 118           HA       VAL 118 -17.529   6.319   8.678
 1058    HB   VAL 118           HB       VAL 118 -17.456   8.810   9.900
 1059   1HG1  VAL 118          HG21      VAL 118 -15.923   7.319  11.528
 1060   2HG1  VAL 118          HG22      VAL 118 -16.603   6.057  10.500
 1061   3HG1  VAL 118          HG23      VAL 118 -17.672   7.137  11.394
 1062   1HG2  VAL 118          HG11      VAL 118 -14.982   8.946  10.482
 1063   2HG2  VAL 118          HG12      VAL 118 -15.475   9.564   8.905
 1064   3HG2  VAL 118          HG13      VAL 118 -14.713   7.979   9.031
 1065    H    GLU 119           HN       GLU 119 -19.306   6.337   7.374
 1066    HA   GLU 119           HA       GLU 119 -20.296   8.897   6.366
 1067   1HB   GLU 119          HB1       GLU 119 -20.827   6.029   5.724
 1068   2HB   GLU 119          HB2       GLU 119 -22.082   7.211   5.379
 1069   1HG   GLU 119          HG2       GLU 119 -21.071   7.637   3.463
 1070   2HG   GLU 119          HG1       GLU 119 -19.722   8.315   4.374
 1071    H    ARG 120           HN       ARG 120 -22.909   8.781   6.334
 1072    HA   ARG 120           HA       ARG 120 -23.895   7.979   8.964
 1073   1HB   ARG 120          HB1       ARG 120 -23.887  10.803   7.909
 1074   2HB   ARG 120          HB2       ARG 120 -25.014  10.271   9.149
 1075   1HG   ARG 120          HG2       ARG 120 -23.372  10.031  10.737
 1076   2HG   ARG 120          HG1       ARG 120 -22.096   9.810   9.538
 1077   1HD   ARG 120          HD1       ARG 120 -22.730  12.278   8.892
 1078   2HD   ARG 120          HD2       ARG 120 -23.351  12.319  10.542
 1079    HE   ARG 120           HE       ARG 120 -20.855  11.311  10.836
 1080   1HH1  ARG 120          HH11      ARG 120 -22.135  14.147   9.273
 1081   2HH1  ARG 120          HH12      ARG 120 -20.713  15.098   9.544
 1082   1HH2  ARG 120          HH21      ARG 120 -18.977  12.553  11.200
 1083   2HH2  ARG 120          HH22      ARG 120 -18.917  14.191  10.641
 1084    H    ASN 121           HN       ASN 121 -25.873   7.133   8.849
 1085    HA   ASN 121           HA       ASN 121 -27.890   6.465   8.040
 1086   1HB   ASN 121          HB2       ASN 121 -27.670   9.199   6.800
 1087   2HB   ASN 121          HB1       ASN 121 -29.060   8.164   6.487
 1088   1HD2  ASN 121          HD21      ASN 121 -30.698   8.277   7.845
 1089   2HD2  ASN 121          HD22      ASN 121 -30.656   8.971   9.427
 1090    H    ASN 122           HN       ASN 122 -26.921   8.239   5.134
 1091    HA   ASN 122           HA       ASN 122 -25.831   6.119   3.690
 1092   1HB   ASN 122          HB2       ASN 122 -28.428   5.527   4.096
 1093   2HB   ASN 122          HB1       ASN 122 -28.578   6.486   2.626
 1094   1HD2  ASN 122          HD21      ASN 122 -29.195   4.748   1.379
 1095   2HD2  ASN 122          HD22      ASN 122 -28.101   3.491   0.925
 1096    H    HIS 123           HN       HIS 123 -24.673   7.151   2.219
 1097    HA   HIS 123           HA       HIS 123 -25.450   9.802   1.339
 1098   1HB   HIS 123          HB1       HIS 123 -23.072   9.057   1.991
 1099   2HB   HIS 123          HB2       HIS 123 -23.021   8.283   0.410
 1100    HD1  HIS 123           HD1      HIS 123 -23.640  11.744   1.859
 1101    HD2  HIS 123           HD2      HIS 123 -22.176   9.920  -1.576
 1102    HE1  HIS 123           HE1      HIS 123 -22.788  13.618   0.414
 1103    HE2  HIS 123           HE2      HIS 123 -21.906  12.491  -1.661
 1104    H    GLN 124           HN       GLN 124 -24.679   6.680  -0.186
 1105    HA   GLN 124           HA       GLN 124 -25.532   7.593  -2.778
 1106   1HB   GLN 124          HB1       GLN 124 -24.570   4.973  -1.669
 1107   2HB   GLN 124          HB2       GLN 124 -25.287   5.049  -3.272
 1108   1HG   GLN 124          HG1       GLN 124 -23.480   6.003  -4.175
 1109   2HG   GLN 124          HG2       GLN 124 -23.215   7.055  -2.785
 1110   1HE2  GLN 124          HE21      GLN 124 -21.755   6.491  -1.266
 1111   2HE2  GLN 124          HE22      GLN 124 -20.786   5.062  -1.333
 1112    H    THR 125           HN       THR 125 -27.171   6.316  -4.031
 1113    HA   THR 125           HA       THR 125 -29.417   5.476  -2.323
 1114    HB   THR 125           HB       THR 125 -30.933   6.516  -4.057
 1115    HG1  THR 125           HG1      THR 125 -28.467   7.621  -4.900
 1116   1HG2  THR 125          HG21      THR 125 -31.038   8.534  -3.024
 1117   2HG2  THR 125          HG22      THR 125 -29.286   8.733  -2.983
 1118   3HG2  THR 125          HG23      THR 125 -30.076   7.641  -1.846
 1119    H    GLU 126           HN       GLU 126 -30.576   3.728  -3.005
 1120    HA   GLU 126           HA       GLU 126 -29.541   2.352  -5.391
 1121   1HB   GLU 126          HB1       GLU 126 -30.445   1.425  -2.726
 1122   2HB   GLU 126          HB2       GLU 126 -30.899   0.413  -4.090
 1123   1HG   GLU 126          HG1       GLU 126 -28.902  -0.519  -3.485
 1124   2HG   GLU 126          HG2       GLU 126 -28.384   0.621  -4.726
 1125    H    LEU 127           HN       LEU 127 -31.099   1.044  -6.615
 1126    HA   LEU 127           HA       LEU 127 -33.429   2.579  -7.237
 1127   1HB   LEU 127          HB1       LEU 127 -31.847   0.693  -8.551
 1128   2HB   LEU 127          HB2       LEU 127 -33.407  -0.088  -8.375
 1129    HG   LEU 127           HG       LEU 127 -33.217   1.080 -10.520
 1130   1HD1  LEU 127          HD21      LEU 127 -35.420   1.226 -10.280
 1131   2HD1  LEU 127          HD22      LEU 127 -35.181   2.866  -9.676
 1132   3HD1  LEU 127          HD23      LEU 127 -35.272   1.514  -8.547
 1133   1HD2  LEU 127          HD11      LEU 127 -33.113   3.657  -8.978
 1134   2HD2  LEU 127          HD12      LEU 127 -32.913   3.408 -10.713
 1135   3HD2  LEU 127          HD13      LEU 127 -31.667   2.856  -9.594
 1136    H    GLU 128           HN       GLU 128 -35.252   2.509  -6.114
 1137    HA   GLU 128           HA       GLU 128 -36.576   0.050  -5.547
 1138   1HB   GLU 128          HB2       GLU 128 -34.764   0.898  -3.591
 1139   2HB   GLU 128          HB1       GLU 128 -36.342   1.378  -2.981
 1140   1HG   GLU 128          HG1       GLU 128 -36.691  -0.691  -2.301
 1141   2HG   GLU 128          HG2       GLU 128 -36.612  -1.244  -3.973
 1142    H    VAL 129           HN       VAL 129 -36.356   3.463  -4.561
 1143    HA   VAL 129           HA       VAL 129 -39.232   3.664  -4.317
 1144    HB   VAL 129           HB       VAL 129 -38.715   6.116  -3.901
 1145   1HG1  VAL 129          HG11      VAL 129 -37.284   5.264  -1.727
 1146   2HG1  VAL 129          HG12      VAL 129 -38.096   3.788  -2.249
 1147   3HG1  VAL 129          HG13      VAL 129 -39.042   5.228  -1.872
 1148   1HG2  VAL 129          HG21      VAL 129 -36.412   5.775  -5.094
 1149   2HG2  VAL 129          HG22      VAL 129 -35.881   5.279  -3.487
 1150   3HG2  VAL 129          HG23      VAL 129 -36.554   6.891  -3.735
 1151    HA   PRO 130           HA       PRO 130 -40.603   5.664  -4.360
 1152   1HB   PRO 130          HB2       PRO 130 -42.993   5.841  -5.599
 1153   2HB   PRO 130          HB1       PRO 130 -41.837   7.178  -5.583
 1154   1HG   PRO 130          HG1       PRO 130 -42.375   5.162  -7.734
 1155   2HG   PRO 130          HG2       PRO 130 -42.143   6.915  -7.878
 1156   1HD   PRO 130          HD2       PRO 130 -40.174   5.119  -8.402
 1157   2HD   PRO 130          HD1       PRO 130 -39.850   6.746  -7.772
 1158    H    ARG 131           HN       ARG 131 -42.055   4.395  -3.173
 1159    HA   ARG 131           HA       ARG 131 -42.117   1.605  -3.950
 1160   1HB   ARG 131          HB2       ARG 131 -42.968   1.207  -1.692
 1161   2HB   ARG 131          HB1       ARG 131 -41.530   2.218  -1.646
 1162   1HG   ARG 131          HG2       ARG 131 -43.370   4.141  -1.695
 1163   2HG   ARG 131          HG1       ARG 131 -44.331   2.862  -0.948
 1164   1HD   ARG 131          HD2       ARG 131 -41.701   2.984   0.223
 1165   2HD   ARG 131          HD1       ARG 131 -42.494   4.557   0.304
 1166    HE   ARG 131           HE       ARG 131 -43.203   2.184   1.756
 1167   1HH1  ARG 131          HH11      ARG 131 -44.369   5.203   0.473
 1168   2HH1  ARG 131          HH12      ARG 131 -45.675   5.329   1.602
 1169   1HH2  ARG 131          HH21      ARG 131 -44.920   2.338   3.250
 1170   2HH2  ARG 131          HH22      ARG 131 -45.989   3.699   3.182
 1171    H    THR 132           HN       THR 132 -44.339   0.530  -3.037
 1172    HA   THR 132           HA       THR 132 -46.694   2.002  -3.792
 1173    HB   THR 132           HB       THR 132 -46.078   1.436  -6.009
 1174    HG1  THR 132           HG1      THR 132 -47.769   0.169  -6.604
 1175   1HG2  THR 132          HG21      THR 132 -45.938  -1.336  -6.174
 1176   2HG2  THR 132          HG22      THR 132 -44.890  -0.892  -4.827
 1177   3HG2  THR 132          HG23      THR 132 -44.631  -0.177  -6.418
 1178    HA   PRO 133           HA       PRO 133 -48.342  -0.867  -0.859
 1179   1HB   PRO 133          HB1       PRO 133 -50.984  -0.485  -1.280
 1180   2HB   PRO 133          HB2       PRO 133 -49.967   0.722  -0.485
 1181   1HG   PRO 133          HG2       PRO 133 -50.899   0.604  -3.330
 1182   2HG   PRO 133          HG1       PRO 133 -50.835   1.995  -2.232
 1183   1HD   PRO 133          HD2       PRO 133 -48.950   1.526  -4.132
 1184   2HD   PRO 133          HD1       PRO 133 -48.587   2.335  -2.594
 1185    H    ARG 134           HN       ARG 134 -48.651  -3.005  -0.896
 1186    HA   ARG 134           HA       ARG 134 -49.206  -4.323  -3.408
 1187   1HB   ARG 134          HB2       ARG 134 -48.746  -5.535  -0.676
 1188   2HB   ARG 134          HB1       ARG 134 -48.704  -6.383  -2.216
 1189   1HG   ARG 134          HG2       ARG 134 -46.754  -5.081  -2.889
 1190   2HG   ARG 134          HG1       ARG 134 -46.799  -4.217  -1.350
 1191   1HD   ARG 134          HD2       ARG 134 -46.674  -6.582  -0.302
 1192   2HD   ARG 134          HD1       ARG 134 -46.101  -7.077  -1.894
 1193    HE   ARG 134           HE       ARG 134 -44.104  -6.038  -1.465
 1194   1HH1  ARG 134          HH11      ARG 134 -46.468  -4.999   0.872
 1195   2HH1  ARG 134          HH12      ARG 134 -45.315  -4.168   1.861
 1196   1HH2  ARG 134          HH21      ARG 134 -42.577  -4.946  -0.169
 1197   2HH2  ARG 134          HH22      ARG 134 -43.103  -4.137   1.270
 1198    H    THR 135           HN       THR 135 -50.821  -3.735  -0.353
 1199    HA   THR 135           HA       THR 135 -52.992  -3.958   0.288
 1200    HB   THR 135           HB       THR 135 -53.739  -4.705  -2.526
 1201    HG1  THR 135           HG1      THR 135 -53.836  -2.406  -2.899
 1202   1HG2  THR 135          HG21      THR 135 -55.634  -3.113  -1.989
 1203   2HG2  THR 135          HG22      THR 135 -55.099  -3.218  -0.312
 1204   3HG2  THR 135          HG23      THR 135 -55.632  -4.670  -1.160
 1205    HA   PRO 136           HA       PRO 136 -52.482  -8.552   0.342
 1206   1HB   PRO 136          HB1       PRO 136 -52.396  -8.823   3.022
 1207   2HB   PRO 136          HB2       PRO 136 -50.968  -8.388   2.075
 1208   1HG   PRO 136          HG2       PRO 136 -52.800  -6.629   3.662
 1209   2HG   PRO 136          HG1       PRO 136 -51.030  -6.603   3.568
 1210   1HD   PRO 136          HD1       PRO 136 -52.627  -4.890   2.173
 1211   2HD   PRO 136          HD2       PRO 136 -51.028  -5.410   1.606